A0A087XQ49_POEFO Loading...

Glycine cleavage system P protein

The glycine cleavage system catalyzes the degradation of glycine.

AlphaFold DB , UniProt , Accession A0A087XQ49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,039 aa.

						>A0A087XQ49_POEFO|A0A087XQ49
MQSCAKSWRVFVAKSVHPSAPCRHLSDRSRVVWKLQSRIRLQRSSASLTTAAAAAGAGARGLRTSAAASSRQIERILPRHDDFAERHIGPGEREKREMLDVLGLESVAQLIENTVPSSIRIQRNLKMDDPICENEVLEALQKIASKNKVWRSYIGMGYYNCSMPPPIQRNLLENAGWVTQYTPYQPEVSQGRLESLLNYQTMICDITGMPVANASLLDEGTAAAEAMQLCNRQNKRRTFYIDPRCHPQTIAVVQTRANYIGVKTVLKLPHEMDFSGKDVSGVLFQYPDTDGRVEDFTALVDRAHKGGAMACCATDLLALCVLRPPGEFGVDIALGSSQRFGVPLCYGGPHAAFFAVKDNLVRMMPGRMVGVTRDAAGKEVYRLALQTREQHIRRDKATSNICTAQALLANMAAMYALYQGPQGLKHIAERTHSAALILAEGLKRAGHRLHSDMFFDTLKVNCSVAAKDILERAVQRQINLRVYSEGVLGVSLDETVTERDLDDLLWVFGCESSAELIAEKMGERVKGIMGSPFKRTSKFLTHQVFNSYHSETNIVRYMKRLENKDISLVHSMIPLGSCTMKLNSSSELMPITWREFANIHPFVPLDQAEGYQKLFRQLEKDLCELTGYDKISFQPNSGAQGEYAGLAAIKAYLNSKGEDSRSVCLIPKSAHGTNPASAQMAGMKVQVVEVDKDGNIDLAHLKALVEKHKASLAAMMITYPSTFGVFEENIRDVCDLIHENGGQVYLDGANMNAQVGLCRPGDYGSDVSHLNLHKTFCIPHGGGGPGMGPIGVKAHLAPFLPSHPVVPMQSVNSSSSLGTISAAPWGSSAILPISWAYIKMMGSKGLTHATEVAILNANYMAKRVEGHYKILFRGRKGFVAHEFILDVRPFKKTANIEAVDLAKRLQDYGFHAPTMSWPVAGTLMIEPTESEDKAEMDRFCDALLAIRQEIADIEEGRMDSRINPLKMAPHSLACISSSNWDRPYSREYAAFPLPFIRPETKFWPTISRIDDIYGDQNLVCTCPPMEVYESPYEEKRASS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	28.6	Very low	230 Å²	230	163.9 Å²	163.9	100%	1.133	84%	0.836	S	S	*	*				0	114.1	0	-56	166.4	-167.1	0	0	105.2
2	Q	29.1	Very low	28.5	Very low	196 Å²	196	159.8 Å²	159.8	92%	0.916	82%	0.824	S	S	*	*				58.3	132.7	66.9	-66.7	178.5	-21.6	0	0	111.5
3	S	29.9	Very low	28.2	Very low	107 Å²	107	154.4 Å²	154.4	75%	0.748	82%	0.817	S	S	*	*			cis	-146.1	134.8	6.6	176.4	0	0	0	0	107.9
4	C	31.6	Very low	28.3	Very low	109 Å²	109	156.6 Å²	156.6	74%	0.736	82%	0.817	S	S	*	*				76.2	126.4	57.8	-177.1	0	0	0	0	115.2
5	A	30.1	Very low	28.3	Very low	96 Å²	96	152.7 Å²	152.7	79%	0.793	81%	0.808	S	S	*	*			trans	-147.1	174.5	176.2	0	0	0	0	0	110.1
6	K	35	Very low	28.2	Very low	179 Å²	179	152.2 Å²	152.2	78%	0.778	81%	0.812	S	S	*	*			trans	-148.9	126	-169.6	-71.1	173.4	176.1	172	0	115.8
7	S	27.3	Very low	28.3	Very low	118 Å²	118	153.8 Å²	153.8	83%	0.825	81%	0.813	S	S	*	*			trans	-165.8	119	142.8	-169	0	0	0	0	108.7
8	W	24.9	Very low	29.3	Very low	204 Å²	204	151.3 Å²	151.3	77%	0.773	81%	0.807	S	S	*	*			cis	88.8	100	28.6	-82.2	67.7	0	0	0	117.9
9	R	23.3	Very low	29.2	Very low	249 Å²	249	149.7 Å²	149.7	94%	0.94	81%	0.809	S	S	*	*				-157.2	154.5	124.5	-107.7	173.8	-169.2	-142.6	0.7	111.1
10	V	27.9	Very low	29.3	Very low	100 Å²	100	146.8 Å²	146.8	61%	0.606	81%	0.807	S	S	*	*			trans	-146.8	150.8	-170	169.2	0	0	0	0	109.3	V12	V10-V12 HydrophobicContact CG1-CG2 3.82Å
11	F	23.7	Very low	29.9	Very low	215 Å²	215	145.3 Å²	145.3	94%	0.943	80%	0.804	S	S	*	*			trans	-138.6	157.5	157.1	-107.9	-84	0	0	0	110.7
12	V	27.5	Very low	29.7	Very low	114 Å²	114	139.7 Å²	139.7	69%	0.691	79%	0.786	S	S	*	*			trans	-142.4	133.5	-163.4	173.8	0	0	0	0	113.1	V10	V10-V12 HydrophobicContact CG1-CG2 3.82Å
13	A	24.7	Very low	29.6	Very low	90 Å²	90	140 Å²	140	74%	0.744	78%	0.779	S	S	*	*			trans	-160.9	132.2	148.9	0	0	0	0	0	106.2
14	K	29.6	Very low	29.4	Very low	186 Å²	186	142 Å²	142	81%	0.809	78%	0.776	S	S	*	*			cis	56.3	134.4	44.7	-72.5	-165.5	179.2	-175.1	0	113.6
15	S	28.1	Very low	29.2	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	78%	0.78	S	S	*	*			cis	166.1	142.7	-21.5	44.2	0	0	0	0	106.6
16	V	27.4	Very low	29.1	Very low	144 Å²	144	144.6 Å²	144.6	87%	0.873	78%	0.776	S	S	*	*			trans	176.4	137.2	146.4	139.3	0	0	0	0	112.8
17	H	29.1	Very low	28.7	Very low	180 Å²	180	142.2 Å²	142.2	83%	0.833	77%	0.772	S	S	*	*			trans	-118.1	164.3	155.6	-100.2	-40.7	0	0	0	105.8
18	P	47.3	Very low	28.8	Very low	109 Å²	109	146.9 Å²	146.9	71%	0.708	77%	0.772	S	S	*	*			cis	-151.9	-158	38.2	43.3	-21	0	0	0	115.8
19	S	27.5	Very low	28.9	Very low	120 Å²	120	142.8 Å²	142.8	84%	0.839	77%	0.774	S	S	*	*			trans	111.1	145.9	145.7	78.7	0	0	0	0	119.4
20	A	30.3	Very low	29.1	Very low	92 Å²	92	142.6 Å²	142.6	76%	0.76	77%	0.773	S	S	*	*			trans	-144.5	160.4	170.2	0	0	0	0	0	106.9
21	P	43.3	Very low	29.1	Very low	115 Å²	115	144.1 Å²	144.1	75%	0.747	78%	0.783	S	S	*	*				-157.7	179.3	99.1	40.8	-22.5	0	0	0	116.5
22	C	25.5	Very low	29.3	Very low	113 Å²	113	139.3 Å²	139.3	76%	0.764	77%	0.77	S	S	*	*			trans	68.2	161	153.3	-79.4	0	0	0	0	119.2
23	R	27.5	Very low	29.2	Very low	203 Å²	203	143.4 Å²	143.4	77%	0.766	77%	0.774	S	S	*	*			cis	-168.8	158.4	-35.9	-129.2	-178.3	-172	-144.1	14.3	109.5
24	H	26.1	Very low	29.3	Very low	149 Å²	149	145.9 Å²	145.9	69%	0.69	77%	0.768	S	S	*	*			trans	65.4	125.5	163.3	-68.3	-69.5	0	0	0	121.4
25	L	26.8	Very low	29.2	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	76%	0.763	S	S	*	*				172.7	105.6	125.6	-86.8	164.9	0	0	0	105.6
26	S	27.7	Very low	29.2	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	77%	0.769	S	S	*	*				61.4	134.7	86.6	72	0	0	0	0	114.5
27	D	28.2	Very low	29.3	Very low	129 Å²	129	146 Å²	146	69%	0.69	77%	0.768	S	S	*	*			cis	-167.9	172.2	-5.4	174.2	36.5	0	0	0	108.4
28	R	28.5	Very low	29.3	Very low	217 Å²	217	148.7 Å²	148.7	82%	0.819	77%	0.771	S	S	*	*			trans	76.9	138.7	166.7	-48.6	-169.7	178.7	-173.5	-2.8	117.2
29	S	26.6	Very low	28.3	Very low	117 Å²	117	151.7 Å²	151.7	82%	0.818	78%	0.779	S	S	*	*			cis	-159	158	-7.8	40	0	0	0	0	112.4
30	R	28	Very low	28.4	Very low	245 Å²	245	157 Å²	157	93%	0.925	78%	0.78	S	S	*	*			trans	-116.7	151.5	172.3	-76.2	177.8	165.3	-175.7	-3.5	111.3
31	V	27.1	Very low	28.2	Very low	133 Å²	133	159.5 Å²	159.5	81%	0.806	78%	0.781	S	S	*	*			trans	-178.2	142.9	154.5	138.4	0	0	0	0	106.9
32	V	28.1	Very low	27.5	Very low	113 Å²	113	161.9 Å²	161.9	69%	0.685	78%	0.782	S	S	*	*			cis	99.7	125.5	19.1	173.9	0	0	0	0	112.5
33	W	26.3	Very low	27.6	Very low	201 Å²	201	167.2 Å²	167.2	76%	0.761	79%	0.786	S	S	*	*			cis	-155.8	153.2	-2	-129.5	21.1	0	0	0	112.3
34	K	26.4	Very low	27.6	Very low	142 Å²	142	162.6 Å²	162.6	62%	0.617	79%	0.785	S	S	*	*			trans	47	142.1	141.9	-72	-177.9	179.3	169	0	124.6
35	L	27.6	Very low	27.8	Very low	137 Å²	137	161.2 Å²	161.2	72%	0.717	79%	0.791	S	S	*	*			trans	91.7	127	136.7	-109.8	75.3	0	0	0	122.9
36	Q	28.2	Very low	27.8	Very low	172 Å²	172	159 Å²	159	80%	0.804	80%	0.796	S	S	*	*				23.6	146.3	129	-60.1	172.3	-13.1	0	0	120
37	S	28.2	Very low	27.9	Very low	121 Å²	121	159.4 Å²	159.4	85%	0.846	80%	0.799	S	S	*	*			cis	-156.6	-158.8	35.4	70.5	0	0	0	0	115
38	R	30.3	Very low	27.8	Very low	236 Å²	236	161.5 Å²	161.5	89%	0.891	81%	0.809	S	S	*	*			trans	-105.2	153.8	-167.1	-54.4	166.1	172.5	162.6	-5.5	113.8
39	I	26.9	Very low	27.9	Very low	173 Å²	173	156.5 Å²	156.5	89%	0.887	80%	0.803	S	S	*	*			trans	-136.6	155	146	-68.3	-170.2	0	0	0	110.1
40	R	28.5	Very low	28	Very low	230 Å²	230	157.6 Å²	157.6	87%	0.868	81%	0.805	S	S	*	*			trans	-113.7	160.5	176.2	-82.9	176.3	161.7	177.7	-5.3	110.7
41	L	26.8	Very low	28.1	Very low	146 Å²	146	150.1 Å²	150.1	76%	0.764	80%	0.796	S	S	*	*			trans	176.7	126.9	131.2	-90	155.7	0	0	0	107.9
42	Q	28.7	Very low	28.1	Very low	165 Å²	165	148.7 Å²	148.7	77%	0.771	80%	0.797	S	S	*	*				60.2	146.1	94.3	-77.6	-169.2	-0.9	0	0	116.2
43	R	28	Very low	28.1	Very low	225 Å²	225	147.7 Å²	147.7	85%	0.849	80%	0.801	S	S	*	*			cis	-169.9	-175.7	-27.8	-143.1	-176	-177.6	-172.8	0	108.1
44	S	26.7	Very low	28.2	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	81%	0.805	S	S	*	*			trans	73.1	140.9	-179.9	76.4	0	0	0	0	115.8
45	S	29.5	Very low	28.2	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	82%	0.818	S	S	*	*			cis	101.5	101	4.5	85.2	0	0	0	0	118.3
46	A	28.1	Very low	28.1	Very low	111 Å²	111	138.7 Å²	138.7	92%	0.917	82%	0.824	S	S	*	*			trans	-151.6	158.2	152.4	0	0	0	0	0	108.9
47	S	29.5	Very low	28	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	83%	0.829	S	S	*	*			trans	-130.3	164.5	176.5	61.1	0	0	0	0	110.6
48	L	26.9	Very low	28	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	83%	0.828	S	S	*	*			trans	-163.7	161.3	151.9	-108.5	163.1	0	0	0	110.5
49	T	28.6	Very low	28	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	83%	0.826	S	S	*	*			trans	-127.7	172.6	-161	43.5	0	0	0	0	114.1
50	T	30.7	Very low	28.3	Very low	139 Å²	139	131.5 Å²	131.5	85%	0.853	83%	0.83	S	S	*	*			trans	82.6	149.1	167.5	72.5	0	0	0	0	117.4
51	A	29.3	Very low	28.6	Very low	89 Å²	89	124 Å²	124	74%	0.736	83%	0.825	S	S	*	*			cis	-168.7	166.6	-24.6	0	0	0	0	0	111.4
52	A	27.3	Very low	28.9	Very low	102 Å²	102	125 Å²	125	84%	0.843	83%	0.829	S	S	*	*			trans	66.7	157.8	160	0	0	0	0	0	118.8
53	A	28.4	Very low	29.3	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	84%	0.837	S	S	*	*			cis	-165.7	152.6	-31.5	0	0	0	0	0	112.2
54	A	27.9	Very low	30	Very low	100 Å²	100	122.9 Å²	122.9	83%	0.826	83%	0.826	S	S	*	*			trans	74.1	141.9	151.1	0	0	0	0	0	123.2
55	A	26.9	Very low	30.5	Very low	110 Å²	110	123.4 Å²	123.4	91%	0.909	83%	0.83	S	S	*	*			trans	72.3	125.7	155.1	0	0	0	0	0	121.1
56	G	24.3	Very low	30.9	Very low	81 Å²	81	122 Å²	122	84%	0.835	83%	0.825	S	S	*	*			trans	153.5	99.1	170.7	0	0	0	0	0	112.6
57	A	26.6	Very low	31.5	Very low	109 Å²	109	118.9 Å²	118.9	90%	0.901	80%	0.8	S	S	*	*			trans	-83.7	148.1	-167.6	0	0	0	0	0	115.4
58	G	28.7	Very low	32.1	Very low	80 Å²	80	118 Å²	118	83%	0.825	80%	0.799	S	S	*	*			trans	91.1	88.6	134	0	0	0	0	0	119.2
59	A	28.9	Very low	33.6	Very low	104 Å²	104	115 Å²	115	86%	0.86	79%	0.793	S	S	*	*			trans	-143.2	117.2	152.9	0	0	0	0	0	110.8
60	R	35	Very low	35.8	Very low	258 Å²	258	112 Å²	112	97%	0.974	78%	0.776	S	S	*	*			trans	-83.7	131.3	166.6	-88	-178.4	170.7	171.5	-3.1	109.2
61	G	34.3	Very low	38.6	Very low	73 Å²	73	113.2 Å²	113.2	75%	0.753	77%	0.765	S	S	*	*			trans	105.8	107.1	155.7	0	0	0	0	0	115.9
62	L	31.8	Very low	41.6	Very low	165 Å²	165	116.3 Å²	116.3	86%	0.864	76%	0.764	S	S	*	*			trans	-157.2	77.7	143.8	-114.1	164.5	0	0	0	110.4	T64	L62-T64 PolarHBondContact O-N 2.8Å
63	R	38.5	Very low	44.8	Very low	244 Å²	244	115.9 Å²	115.9	92%	0.921	75%	0.747	S	S	*	*			trans	-67.4	113.7	153.8	-80.6	-179.4	168.6	-175.8	-4.5	106.8
64	T	42	Very low	47.9	Very low	102 Å²	102	115.1 Å²	115.1	63%	0.626	73%	0.727	S	S	*	*			trans	164.8	72.6	143.8	42.6	0	0	0	0	113.3	L62 A67	L62-T64 PolarHBondContact O-N 2.8Å; T64-A67 HydrophobicContact CG2-CB 3.93Å
65	S	36.7	Very low	50.9	Low	118 Å²	118	116.6 Å²	116.6	83%	0.825	71%	0.711	S	S	*	*	S	Bend	trans	-87.9	-28.6	160.4	51.8	0	0	0	0	112.7	A67	S65-A67 VanDerWaalsContact C-N 3.3Å; S65-A67 PolarHBondContact O-N 2.71Å
66	A	39.6	Very low	54.2	Low	89 Å²	89	117.3 Å²	117.3	74%	0.736	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-70.7	-19.9	179.2	0	0	0	0	0	114.5	A68	A66-A68 PolarHBondContact O-N 3.18Å; A66-A68 VanDerWaalsContact O-N 3.1Å
67	A	40.3	Very low	57.5	Low	46 Å²	46	119.2 Å²	119.2	38%	0.38	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-73.9	2.5	-175.9	0	0	0	0	0	114.5	T64 S65 R75	T64-A67 HydrophobicContact CG2-CB 3.93Å; S65-A67 VanDerWaalsContact C-N 3.3Å; S65-A67 PolarHBondContact O-N 2.71Å; A67-R75 VanDerWaalsContact O-CZ 3.23Å; A67-R75 PolarHBondContact O-NH1 3.08Å; A67-R75 PolarHBondContact O-NH2 3.22Å
68	A	42.4	Very low	60.7	Low	91 Å²	91	118.4 Å²	118.4	75%	0.752	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-86	-19	-178.8	0	0	0	0	0	114.4	A66	A66-A68 PolarHBondContact O-N 3.18Å; A66-A68 VanDerWaalsContact O-N 3.1Å
69	S	58	Low	63.9	Low	110 Å²	110	118.5 Å²	118.5	77%	0.769	65%	0.65	S	S	*	*	S	Bend	trans	-106.2	-22.1	-163.1	-168	0	0	0	0	117.2
70	S	74.2	Confident	67.2	Low	49 Å²	49	120.3 Å²	120.3	34%	0.343	64%	0.641	S	S	.	*	S	Bend	trans	-78.3	140.6	-179.2	51.2	0	0	0	0	111.6	E74 R75	S70-E74 WeakPolarHBondContact CA-OE2 3.14Å; S70-R75 PolarHBondContact O-NE 3.37Å; S70-R75 PolarHBondContact O-NH2 3.1Å; S70-R75 PolarHBondContact OG-NE 2.76Å; S70-R75 VanDerWaalsContact OG-NE 3.13Å; S70-R75 PolarHBondContact OG-NH2 3.16Å
71	R	90	Very high	70.2	Confident	165 Å²	165	109.6 Å²	109.6	62%	0.623	60%	0.602	S	S	*	*			trans	-63.7	151.2	175.6	-65	-178.9	-69.2	166.1	-0.1	109.8	I73 E74 R75	R71-I73 HydrophobicContact CB-CG2 4.03Å; R71-I73 PolarHBondContact O-N 3.38Å; R71-E74 HydrophobicContact CB-CG 4.32Å; R71-E74 IonicContact CZ-OE1 2.88Å; R71-E74 PolarHBondContact N-OE2 3.4Å; R71-E74 IonicContact NE-OE1 3.77Å; R71-E74 PolarHBondContact NE-OE1 3.4Å; R71-E74 IonicContact NH2-OE1 2.73Å; R71-E74 PolarHBondContact NH2-OE1 3.06Å; R71-E74 WeakPolarHBondContact O-CB 3.21Å; R71-E74 PolarHBondContact O-N 3.02Å; R71-R75 PolarHBondContact O-N 3.02Å
72	Q	92.7	Very high	73.2	Confident	153 Å²	153	109.1 Å²	109.1	72%	0.715	58%	0.583	S	S	*	*	H	α-helix	trans	-57.4	-35.2	179.8	-174.5	175.9	-1.1	0	0	112.5	E74 R75 I76	Q72-E74 PolarHBondContact O-N 3.45Å; Q72-R75 PolarHBondContact O-N 3.39Å; Q72-I76 HydrophobicContact CG-CD1 3.89Å; Q72-I76 WeakPolarHBondContact O-CG1 3.41Å; Q72-I76 PolarHBondContact O-N 2.94Å
73	I	92.9	Very high	76.4	Confident	94 Å²	94	101.3 Å²	101.3	48%	0.482	54%	0.542	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.5	-171.5	60.3	0	0	0	112.2	R71 R75 I76 L77	R71-I73 HydrophobicContact CB-CG2 4.03Å; R71-I73 PolarHBondContact O-N 3.38Å; I73-R75 PolarHBondContact O-N 2.76Å; I73-I76 PolarHBondContact O-N 3.09Å; I73-I76 VanDerWaalsContact O-N 3.14Å; I73-L77 HydrophobicContact CD1-CB 4.21Å; I73-L77 CarbonylContact O-C 3.5Å; I73-L77 WeakPolarHBondContact O-CA 3.44Å; I73-L77 PolarHBondContact O-N 3.32Å; I73-L77 VanDerWaalsContact O-O 3.08Å
74	E	93.3	Very high	79.2	Confident	76 Å²	76	90.1 Å²	90.1	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-17.3	-179.9	-65.8	155.5	-175.7	0	0	113.2	S70 R71 Q72 L77 P78	S70-E74 WeakPolarHBondContact CA-OE2 3.14Å; R71-E74 HydrophobicContact CB-CG 4.32Å; R71-E74 IonicContact CZ-OE1 2.88Å; R71-E74 PolarHBondContact N-OE2 3.4Å; R71-E74 IonicContact NE-OE1 3.77Å; R71-E74 PolarHBondContact NE-OE1 3.4Å; R71-E74 IonicContact NH2-OE1 2.73Å; R71-E74 PolarHBondContact NH2-OE1 3.06Å; R71-E74 WeakPolarHBondContact O-CB 3.21Å; R71-E74 PolarHBondContact O-N 3.02Å; Q72-E74 PolarHBondContact O-N 3.45Å; E74-L77 WeakPolarHBondContact CA-O 3.43Å; E74-P78 WeakPolarHBondContact O-CA 3.21Å
75	R	92.1	Very high	81.9	Confident	131 Å²	131	91 Å²	91	49%	0.494	50%	0.498	S	S	.	.	H	α-helix	trans	-89.8	-24.9	176.3	-55.3	176.5	-163	-139.2	-1.1	112.7	A67 S70 R71 Q72 I73	A67-R75 VanDerWaalsContact O-CZ 3.23Å; A67-R75 PolarHBondContact O-NH1 3.08Å; A67-R75 PolarHBondContact O-NH2 3.22Å; S70-R75 PolarHBondContact O-NE 3.37Å; S70-R75 PolarHBondContact O-NH2 3.1Å; S70-R75 PolarHBondContact OG-NE 2.76Å; S70-R75 VanDerWaalsContact OG-NE 3.13Å; S70-R75 PolarHBondContact OG-NH2 3.16Å; R71-R75 PolarHBondContact O-N 3.02Å; Q72-R75 PolarHBondContact O-N 3.39Å; I73-R75 PolarHBondContact O-N 2.76Å
76	I	95.3	Very high	84.8	Confident	125 Å²	125	93.7 Å²	93.7	64%	0.641	49%	0.49	S	S	*	.	H	α-helix	trans	-94.5	-36.6	179.5	-64.8	171.8	0	0	0	110.3	Q72 I73	Q72-I76 HydrophobicContact CG-CD1 3.89Å; Q72-I76 WeakPolarHBondContact O-CG1 3.41Å; Q72-I76 PolarHBondContact O-N 2.94Å; I73-I76 PolarHBondContact O-N 3.09Å; I73-I76 VanDerWaalsContact O-N 3.14Å
77	L	93.9	Very high	87.6	Confident	121 Å²	121	89.5 Å²	89.5	63%	0.634	46%	0.456	S	S	*	.	S	Bend	trans	-135.4	90.1	179.2	-176	66	0	0	0	107.8	I73 E74	I73-L77 HydrophobicContact CD1-CB 4.21Å; I73-L77 CarbonylContact O-C 3.5Å; I73-L77 WeakPolarHBondContact O-CA 3.44Å; I73-L77 PolarHBondContact O-N 3.32Å; I73-L77 VanDerWaalsContact O-O 3.08Å; E74-L77 WeakPolarHBondContact CA-O 3.43Å
78	P	95.2	Very high	90.4	Very high	92 Å²	92	88 Å²	88	60%	0.597	44%	0.441	S	S	*	.			trans	-68.3	-179	175.1	30.8	-36	0	0	0	111.5	E74	E74-P78 WeakPolarHBondContact O-CA 3.21Å
79	R	95.5	Very high	93.1	Very high	83 Å²	83	85 Å²	85	31%	0.313	42%	0.419	S	S	.	.			trans	-54.2	148.2	165.2	-70.1	-178.2	67.6	-162.4	2	110	D81 D82 P130 I131	R79-D81 WeakPolarHBondContact CB-O 3.39Å; R79-D81 VanDerWaalsContact CZ-O 3.29Å; R79-D81 PolarHBondContact NE-O 2.84Å; R79-D82 IonicContact CZ-OD1 3.8Å; R79-D82 IonicContact NH1-OD1 3.9Å; R79-D82 PolarHBondContact NH1-OD1 3.36Å; R79-D82 IonicContact NH1-OD2 3.1Å; R79-D82 PolarHBondContact NH1-OD2 3.41Å; R79-P130 PolarHBondContact NH2-O 3.11Å; R79-I131 VanDerWaalsContact NH2-C 3.33Å; R79-I131 PolarHBondContact NH2-O 3.39Å; R79-I131 VanDerWaalsContact NH2-O 3.07Å
80	H	97.4	Very high	95	Very high	142 Å²	142	79.9 Å²	79.9	66%	0.657	38%	0.383	S	S	*	.	S	Bend	trans	-62.1	-45.4	175.8	172.8	-94.6	0	0	0	111.6	N134	H80-N134 PolarHBondContact ND1-OD1 3.26Å; H80-N134 VanDerWaalsContact ND1-OD1 3.08Å
81	D	97.9	Very high	96.1	Very high	32 Å²	32	78.7 Å²	78.7	17%	0.171	38%	0.379	C	S	.	.			trans	-145.3	171.1	176.7	58.9	-109.2	0	0	0	110.7	R79 C132 E133 N134	R79-D81 WeakPolarHBondContact CB-O 3.39Å; R79-D81 VanDerWaalsContact CZ-O 3.29Å; R79-D81 PolarHBondContact NE-O 2.84Å; D81-C132 VanDerWaalsContact OD2-CA 3.32Å; D81-C132 WeakPolarHBondContact OD2-CA 3.48Å; D81-C132 WeakPolarHBondContact OD2-CB 3.2Å; D81-E133 PolarHBondContact OD1-N 2.96Å; D81-E133 PolarHBondContact OD2-N 2.86Å; D81-N134 PolarHBondContact OD1-N 3.4Å; D81-N134 PolarHBondContact OD1-OD1 2.96Å
82	D	97.8	Very high	96.4	Very high	64 Å²	64	76.3 Å²	76.3	34%	0.342	38%	0.375	S	S	.	.			trans	-130.5	113.1	160.5	-153.7	-24	0	0	0	108.3	R79 A84 E85	R79-D82 IonicContact CZ-OD1 3.8Å; R79-D82 IonicContact NH1-OD1 3.9Å; R79-D82 PolarHBondContact NH1-OD1 3.36Å; R79-D82 IonicContact NH1-OD2 3.1Å; R79-D82 PolarHBondContact NH1-OD2 3.41Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-E85 HydrophobicContact CB-CG 4.47Å; D82-E85 WeakPolarHBondContact O-CB 3.41Å; D82-E85 PolarHBondContact O-N 3.32Å
83	F	98.7	Very high	96.7	Very high	1 Å²	1	76.1 Å²	76.1	0%	0.004	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	-175.3	-179.5	-104.1	0	0	0	113.3	E85 R86 H87 E133 L582 S584 E587 Y837 M840 M841	F83-E85 PolarHBondContact O-N 2.82Å; F83-R86 HydrophobicContact CD2-CB 4.14Å; F83-R86 HydrophobicContact CE2-CB 4.3Å; F83-R86 WeakPolarHBondContact O-CA 3.36Å; F83-R86 WeakPolarHBondContact O-CB 3.45Å; F83-R86 PolarHBondContact O-N 2.7Å; F83-H87 HydrophobicContact CD1-CB 4.15Å; F83-H87 HydrophobicContact CE1-CB 3.72Å; F83-H87 HydrophobicContact CZ-CB 4.17Å; F83-H87 PolarHBondContact O-N 2.84Å; F83-E133 HydrophobicContact CD2-CB 4.18Å; F83-E133 HydrophobicContact CD2-CG 4.16Å; F83-L582 HydrophobicContact CZ-CD2 4.45Å; F83-S584 WeakPolarHBondContact CZ-OG 3.35Å; F83-E587 WeakPolarHBondContact CE1-OE1 3.11Å; F83-E587 WeakPolarHBondContact CZ-OE1 3.47Å; F83-Y837 HydrophobicContact CE1-CD2 4.32Å; F83-M840 HydrophobicContact CB-CB 3.72Å; F83-M840 HydrophobicContact CB-CG 4.49Å; F83-M840 HydrophobicContact CB-SD 4.36Å; F83-M840 HydrophobicContact CD1-CB 3.66Å; F83-M840 HydrophobicContact CD1-CE 3.82Å; F83-M840 HydrophobicContact CD1-SD 4.26Å; F83-M840 HydrophobicContact CD2-CE 3.97Å; F83-M840 HydrophobicContact CD2-SD 3.87Å; F83-M840 HydrophobicContact CE1-CE 3.65Å; F83-M840 HydrophobicContact CE2-CE 3.79Å; F83-M840 HydrophobicContact CE2-SD 4.24Å; F83-M840 HydrophobicContact CG-CB 3.77Å; F83-M840 HydrophobicContact CG-CE 3.99Å; F83-M840 HydrophobicContact CG-CG 4.42Å; F83-M840 HydrophobicContact CG-SD 3.88Å; F83-M840 HydrophobicContact CZ-CE 3.64Å; F83-M841 HydrophobicContact CD1-CG 4Å; F83-M841 HydrophobicContact CD1-SD 3.74Å; F83-M841 HydrophobicContact CE1-CG 4.39Å; F83-M841 HydrophobicContact CE1-SD 4.27Å
84	A	98.4	Very high	96.9	Very high	8 Å²	8	73.4 Å²	73.4	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-34.1	171.3	0	0	0	0	0	112.7	D82 R86 H87 I88 M841	D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-R86 PolarHBondContact O-N 3.13Å; A84-H87 PolarHBondContact O-N 2.95Å; A84-I88 HydrophobicContact CB-CD1 4.38Å; A84-I88 WeakPolarHBondContact O-CB 3.46Å; A84-I88 WeakPolarHBondContact O-CG1 3.43Å; A84-I88 PolarHBondContact O-N 2.79Å; A84-M841 HydrophobicContact CB-CE 4.45Å; A84-M841 HydrophobicContact CB-SD 3.96Å
85	E	97.2	Very high	97.2	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-78.9	9	175.7	-53.9	-73.1	139.6	0	0	113.1	D82 F83	D82-E85 HydrophobicContact CB-CG 4.47Å; D82-E85 WeakPolarHBondContact O-CB 3.41Å; D82-E85 PolarHBondContact O-N 3.32Å; F83-E85 PolarHBondContact O-N 2.82Å
86	R	98.3	Very high	97.5	Very high	174 Å²	174	70.9 Å²	70.9	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-119.4	-36.5	170.7	-58.2	-58.8	-178.5	-141.5	4.1	111.9	F83 A84	F83-R86 HydrophobicContact CD2-CB 4.14Å; F83-R86 HydrophobicContact CE2-CB 4.3Å; F83-R86 WeakPolarHBondContact O-CA 3.36Å; F83-R86 WeakPolarHBondContact O-CB 3.45Å; F83-R86 PolarHBondContact O-N 2.7Å; A84-R86 PolarHBondContact O-N 3.13Å
87	H	98.8	Very high	97.7	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-79.1	-31	-179.1	-172.4	80.8	0	0	0	113.6	F83 A84 Y837 M841 E929 S930	F83-H87 HydrophobicContact CD1-CB 4.15Å; F83-H87 HydrophobicContact CE1-CB 3.72Å; F83-H87 HydrophobicContact CZ-CB 4.17Å; F83-H87 PolarHBondContact O-N 2.84Å; A84-H87 PolarHBondContact O-N 2.95Å; H87-Y837 AromaticContact CD2-CE2 3.84Å; H87-Y837 AromaticContact CE1-CE2 3.47Å; H87-Y837 VanDerWaalsContact CE1-CE2 3.47Å; H87-Y837 WeakPolarHBondContact CE1-CE2 3.45Å; H87-Y837 AromaticContact CG-CE2 3.88Å; H87-Y837 AromaticContact ND1-CE2 3.64Å; H87-Y837 AromaticContact NE2-CE2 3.58Å; H87-M841 HydrophobicContact CB-CE 3.97Å; H87-M841 HydrophobicContact CB-SD 3.95Å; H87-E929 IonicContact CD2-OE1 2.75Å; H87-E929 PolarHBondContact CD2-OE1 3.12Å; H87-E929 IonicContact CE1-OE1 2.91Å; H87-E929 IonicContact NE2-OE1 2.66Å; H87-E929 PolarHBondContact NE2-OE1 3.46Å; H87-S930 VanDerWaalsContact O-CA 3.25Å; H87-S930 WeakPolarHBondContact O-CA 3.19Å; H87-S930 WeakPolarHBondContact O-CB 3.41Å; H87-S930 PolarHBondContact O-OG 3.15Å
88	I	98.9	Very high	97.9	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.077	30%	0.295	C	S	.	.			trans	-102.1	123.3	-178.6	-58.2	173	0	0	0	108.5	A84 M841 H848 A849 V852 E929	A84-I88 HydrophobicContact CB-CD1 4.38Å; A84-I88 WeakPolarHBondContact O-CB 3.46Å; A84-I88 WeakPolarHBondContact O-CG1 3.43Å; A84-I88 PolarHBondContact O-N 2.79Å; I88-M841 HydrophobicContact CD1-CE 4.41Å; I88-M841 HydrophobicContact CG1-CE 4.41Å; I88-H848 HydrophobicContact CD1-CB 4.15Å; I88-A849 HydrophobicContact CD1-CB 4.29Å; I88-A849 HydrophobicContact CG1-CB 4.46Å; I88-V852 HydrophobicContact CG2-CB 3.96Å; I88-V852 HydrophobicContact CG2-CG1 3.7Å; I88-V852 HydrophobicContact CG2-CG2 4.02Å; I88-E929 WeakPolarHBondContact CA-O 3.43Å; I88-E929 HydrophobicContact CG1-CG 4.23Å
89	G	98.6	Very high	98.1	Very high	28 Å²	28	58.6 Å²	58.6	29%	0.289	27%	0.269	S	S	.	.			trans	-71.7	-52.1	-175.8	0	0	0	0	0	114.2	G91 E929 S930	G89-G91 PolarHBondContact O-N 3.32Å; G89-E929 PolarHBondContact N-O 3.03Å; G89-S930 WeakPolarHBondContact CA-O 3.27Å; G89-S930 PolarHBondContact N-O 3.39Å
90	P	98.6	Very high	98.2	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.019	29%	0.286	C	S	.	.			trans	-72.9	117.8	-173.3	-22.5	35.9	0	0	0	113.8	E94 K95 M98 V852 N856 E931 M936	P90-E94 HydrophobicContact CB-CB 4.32Å; P90-K95 HydrophobicContact CB-CD 4.46Å; P90-K95 HydrophobicContact CB-CG 3.76Å; P90-K95 VanDerWaalsContact O-CD 3.25Å; P90-K95 WeakPolarHBondContact O-CD 3.35Å; P90-K95 VanDerWaalsContact O-CE 3.23Å; P90-K95 WeakPolarHBondContact O-CE 3.24Å; P90-K95 WeakPolarHBondContact O-CG 3.49Å; P90-M98 HydrophobicContact CB-SD 4.21Å; P90-M98 HydrophobicContact CG-SD 4.45Å; P90-V852 HydrophobicContact CB-CG1 4.47Å; P90-V852 HydrophobicContact CG-CG1 3.99Å; P90-N856 WeakPolarHBondContact CG-OD1 3.49Å; P90-E931 VanDerWaalsContact CD-O 3.3Å; P90-E931 WeakPolarHBondContact CD-O 3.24Å; P90-E931 WeakPolarHBondContact CG-O 3.45Å; P90-M936 HydrophobicContact CG-CE 4.05Å
91	G	96.7	Very high	98.3	Very high	24 Å²	24	56.9 Å²	56.9	25%	0.247	27%	0.273	C	S	.	.			trans	-75.5	171.4	177.7	0	0	0	0	0	113.9	G89 R93 E94 K95	G89-G91 PolarHBondContact O-N 3.32Å; G91-R93 PolarHBondContact O-N 3.48Å; G91-E94 PolarHBondContact N-OE2 2.87Å; G91-E94 PolarHBondContact O-N 2.91Å; G91-K95 PolarHBondContact O-N 2.91Å
92	E	96.9	Very high	98.3	Very high	115 Å²	115	56.4 Å²	56.4	54%	0.537	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.5	178.5	-75.6	-58.9	122.5	0	0	115.3	K95 R96	E92-K95 WeakPolarHBondContact OE1-CE 3.33Å; E92-K95 IonicContact OE1-NZ 3.89Å; E92-K95 PolarHBondContact OE1-NZ 2.09Å; E92-R96 VanDerWaalsContact O-CZ 3.26Å; E92-R96 PolarHBondContact O-NE 2.97Å; E92-R96 PolarHBondContact O-NH2 3.34Å
93	R	98.1	Very high	98.3	Very high	148 Å²	148	56.5 Å²	56.5	56%	0.558	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-56.5	167	-178.9	-168.8	58.9	171.2	-3.2	110.7	G91 K95 R96 E97	G91-R93 PolarHBondContact O-N 3.48Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 2.65Å; R93-R96 WeakPolarHBondContact O-CB 3.01Å; R93-R96 PolarHBondContact O-N 2.73Å; R93-E97 VanDerWaalsContact CD-OE1 3.3Å; R93-E97 WeakPolarHBondContact CD-OE1 3.36Å; R93-E97 VanDerWaalsContact CG-OE1 3.28Å; R93-E97 WeakPolarHBondContact CG-OE1 3.31Å; R93-E97 IonicContact NE-OE1 3.17Å; R93-E97 PolarHBondContact O-N 3.18Å; R93-E97 VanDerWaalsContact O-N 3.11Å
94	E	98.6	Very high	98.3	Very high	38 Å²	38	57.3 Å²	57.3	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-39.3	-174.7	-70.8	115.5	-148.3	0	0	112.3	P90 G91 R96 E97 M98 K933	P90-E94 HydrophobicContact CB-CB 4.32Å; G91-E94 PolarHBondContact N-OE2 2.87Å; G91-E94 PolarHBondContact O-N 2.91Å; E94-R96 PolarHBondContact O-N 2.94Å; E94-E97 PolarHBondContact O-N 2.89Å; E94-E97 VanDerWaalsContact O-N 3.11Å; E94-M98 WeakPolarHBondContact O-CB 3.47Å; E94-M98 WeakPolarHBondContact O-CG 3.37Å; E94-M98 PolarHBondContact O-N 2.85Å; E94-K933 HydrophobicContact CB-CB 3.77Å; E94-K933 HydrophobicContact CB-CD 3.79Å; E94-K933 HydrophobicContact CB-CG 4.4Å; E94-K933 HydrophobicContact CG-CB 3.78Å; E94-K933 HydrophobicContact CG-CD 3.84Å; E94-K933 HydrophobicContact CG-CG 4.45Å
95	K	98.6	Very high	98.3	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.035	33%	0.328	C	S	.	.	H	α-helix	trans	-57.5	-32.5	174.6	-67.8	-179.7	-63.6	-164.3	0	112.3	P90 G91 E92 R93 L99 H848 V852 L855	P90-K95 HydrophobicContact CB-CD 4.46Å; P90-K95 HydrophobicContact CB-CG 3.76Å; P90-K95 VanDerWaalsContact O-CD 3.25Å; P90-K95 WeakPolarHBondContact O-CD 3.35Å; P90-K95 VanDerWaalsContact O-CE 3.23Å; P90-K95 WeakPolarHBondContact O-CE 3.24Å; P90-K95 WeakPolarHBondContact O-CG 3.49Å; G91-K95 PolarHBondContact O-N 2.91Å; E92-K95 WeakPolarHBondContact OE1-CE 3.33Å; E92-K95 IonicContact OE1-NZ 3.89Å; E92-K95 PolarHBondContact OE1-NZ 2.09Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 2.65Å; K95-L99 WeakPolarHBondContact O-CB 3.36Å; K95-L99 WeakPolarHBondContact O-CD1 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 2.98Å; K95-L99 VanDerWaalsContact O-N 3.15Å; K95-H848 PolarHBondContact NZ-NE2 3.07Å; K95-V852 HydrophobicContact CD-CG2 3.76Å; K95-L855 HydrophobicContact CB-CD2 3.94Å; K95-L855 HydrophobicContact CG-CD2 3.86Å
96	R	98.6	Very high	98.3	Very high	146 Å²	146	62 Å²	62	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-74	-47.4	172.7	-76.5	179.9	-72.5	126.2	1.5	112.2	E92 R93 E94 M98 L99 D100	E92-R96 VanDerWaalsContact O-CZ 3.26Å; E92-R96 PolarHBondContact O-NE 2.97Å; E92-R96 PolarHBondContact O-NH2 3.34Å; R93-R96 WeakPolarHBondContact O-CB 3.01Å; R93-R96 PolarHBondContact O-N 2.73Å; E94-R96 PolarHBondContact O-N 2.94Å; R96-M98 PolarHBondContact O-N 3.29Å; R96-L99 WeakPolarHBondContact O-CB 3.24Å; R96-L99 PolarHBondContact O-N 3Å; R96-D100 VanDerWaalsContact O-CG 3.31Å; R96-D100 PolarHBondContact O-N 2.86Å
97	E	98.8	Very high	98.3	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-35.3	175.7	-63.9	172.4	-166.5	0	0	112.4	R93 E94 V101 K933	R93-E97 VanDerWaalsContact CD-OE1 3.3Å; R93-E97 WeakPolarHBondContact CD-OE1 3.36Å; R93-E97 VanDerWaalsContact CG-OE1 3.28Å; R93-E97 WeakPolarHBondContact CG-OE1 3.31Å; R93-E97 IonicContact NE-OE1 3.17Å; R93-E97 PolarHBondContact O-N 3.18Å; R93-E97 VanDerWaalsContact O-N 3.11Å; E94-E97 PolarHBondContact O-N 2.89Å; E94-E97 VanDerWaalsContact O-N 3.11Å; E97-V101 WeakPolarHBondContact O-CG2 3.28Å; E97-V101 PolarHBondContact O-N 3.01Å; E97-K933 HydrophobicContact CB-CD 4.23Å; E97-K933 WeakPolarHBondContact OE2-CD 3.49Å; E97-K933 VanDerWaalsContact OE2-CE 3.26Å; E97-K933 WeakPolarHBondContact OE2-CE 3.43Å; E97-K933 IonicContact OE2-NZ 3.95Å
98	M	98.8	Very high	98.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73.1	-38.6	175.9	-65.4	165.6	71.1	0	0	112.7	P90 E94 R96 V101 L102 L855 N856 Y859 K933 M936	P90-M98 HydrophobicContact CB-SD 4.21Å; P90-M98 HydrophobicContact CG-SD 4.45Å; E94-M98 WeakPolarHBondContact O-CB 3.47Å; E94-M98 WeakPolarHBondContact O-CG 3.37Å; E94-M98 PolarHBondContact O-N 2.85Å; R96-M98 PolarHBondContact O-N 3.29Å; M98-V101 PolarHBondContact O-N 3.19Å; M98-L102 WeakPolarHBondContact O-CG 3.47Å; M98-L102 PolarHBondContact O-N 3.13Å; M98-L102 VanDerWaalsContact O-N 3.09Å; M98-L855 HydrophobicContact CB-CD1 4.36Å; M98-L855 HydrophobicContact CB-CG 4.48Å; M98-L855 HydrophobicContact CE-CD2 4.45Å; M98-L855 HydrophobicContact CE-CG 3.99Å; M98-N856 WeakPolarHBondContact CE-OD1 3.48Å; M98-Y859 HydrophobicContact CB-CD2 3.62Å; M98-Y859 HydrophobicContact CB-CE2 4.1Å; M98-Y859 HydrophobicContact CB-CG 4.01Å; M98-Y859 HydrophobicContact CE-CD1 3.78Å; M98-Y859 HydrophobicContact CE-CD2 4.4Å; M98-Y859 HydrophobicContact CE-CG 3.64Å; M98-Y859 HydrophobicContact CG-CD1 4.09Å; M98-Y859 HydrophobicContact CG-CD2 3.58Å; M98-Y859 HydrophobicContact CG-CE1 4.27Å; M98-Y859 HydrophobicContact CG-CE2 3.74Å; M98-Y859 HydrophobicContact CG-CG 3.75Å; M98-K933 HydrophobicContact CG-CD 3.9Å; M98-K933 HydrophobicContact CG-CG 4.02Å; M98-K933 HydrophobicContact SD-CB 4.14Å; M98-K933 HydrophobicContact SD-CD 4.41Å; M98-K933 HydrophobicContact SD-CG 4.15Å; M98-M936 HydrophobicContact CE-CE 3.45Å; M98-M936 VanDerWaalsContact CE-CE 3.45Å; M98-M936 HydrophobicContact CE-SD 4.28Å; M98-M936 HydrophobicContact SD-CE 4.07Å
99	L	98.8	Very high	98.2	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-38.3	173.5	-75.5	167.4	0	0	0	112	K95 R96 V101 L102 G103 L104 V107 L855	K95-L99 WeakPolarHBondContact O-CB 3.36Å; K95-L99 WeakPolarHBondContact O-CD1 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 2.98Å; K95-L99 VanDerWaalsContact O-N 3.15Å; R96-L99 WeakPolarHBondContact O-CB 3.24Å; R96-L99 PolarHBondContact O-N 3Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-V101 PolarHBondContact O-N 3.28Å; L99-L102 CarbonylContact O-C 3.01Å; L99-L102 WeakPolarHBondContact O-CA 3.35Å; L99-L102 PolarHBondContact O-N 2.99Å; L99-L102 VanDerWaalsContact O-N 3.1Å; L99-G103 PolarHBondContact O-N 3.21Å; L99-L104 HydrophobicContact CD2-CB 3.84Å; L99-L104 HydrophobicContact CD2-CD1 4.34Å; L99-L104 PolarHBondContact O-N 3.33Å; L99-V107 HydrophobicContact CD1-CG2 3.9Å; L99-L855 HydrophobicContact CD2-CD1 3.87Å; L99-L855 HydrophobicContact CG-CD1 4.05Å
100	D	98.6	Very high	98.3	Very high	123 Å²	123	58 Å²	58	66%	0.658	31%	0.308	S	S	*	.	H	α-helix	trans	-59.6	-43.2	173.9	-68.4	-37.3	0	0	0	110.7	R96 L102 G103	R96-D100 VanDerWaalsContact O-CG 3.31Å; R96-D100 PolarHBondContact O-N 2.86Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.1Å; D100-G103 PolarHBondContact O-N 3.17Å; D100-G103 VanDerWaalsContact O-N 3.14Å
101	V	98.6	Very high	98.3	Very high	65 Å²	65	58.1 Å²	58.1	39%	0.394	31%	0.308	S	S	.	.	H	α-helix	trans	-66	-30.2	174.5	167.1	0	0	0	0	112.8	E97 M98 L99 Y859 K862	E97-V101 WeakPolarHBondContact O-CG2 3.28Å; E97-V101 PolarHBondContact O-N 3.01Å; M98-V101 PolarHBondContact O-N 3.19Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-V101 PolarHBondContact O-N 3.28Å; V101-Y859 HydrophobicContact CB-CD2 4.17Å; V101-Y859 HydrophobicContact CB-CE2 3.97Å; V101-Y859 HydrophobicContact CG1-CD2 4.01Å; V101-Y859 HydrophobicContact CG1-CE2 3.92Å; V101-Y859 HydrophobicContact CG2-CE2 4.1Å; V101-K862 HydrophobicContact CG1-CG 3.93Å
102	L	98.6	Very high	98.3	Very high	23 Å²	23	61.9 Å²	61.9	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-80.9	-13.5	173.3	-70.6	167.4	0	0	0	113.5	M98 L99 D100 L104 L110 L855 N858 K862	M98-L102 WeakPolarHBondContact O-CG 3.47Å; M98-L102 PolarHBondContact O-N 3.13Å; M98-L102 VanDerWaalsContact O-N 3.09Å; L99-L102 CarbonylContact O-C 3.01Å; L99-L102 WeakPolarHBondContact O-CA 3.35Å; L99-L102 PolarHBondContact O-N 2.99Å; L99-L102 VanDerWaalsContact O-N 3.1Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.1Å; L102-L104 HydrophobicContact CB-CD1 4.1Å; L102-L104 HydrophobicContact CB-CG 4.04Å; L102-L110 HydrophobicContact CD1-CD2 4.45Å; L102-L855 HydrophobicContact CD1-CD1 3.69Å; L102-N858 HydrophobicContact CD1-CB 4.24Å; L102-N858 HydrophobicContact CD2-CB 4.04Å; L102-K862 HydrophobicContact CD2-CB 3.76Å; L102-K862 HydrophobicContact CD2-CG 4.02Å
103	G	98.2	Very high	98.3	Very high	66 Å²	66	58.4 Å²	58.4	68%	0.68	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	35	-173.8	0	0	0	0	0	113.5	L99 D100	L99-G103 PolarHBondContact O-N 3.21Å; D100-G103 PolarHBondContact O-N 3.17Å; D100-G103 VanDerWaalsContact O-N 3.14Å
104	L	98.4	Very high	98.4	Very high	18 Å²	18	52 Å²	52	9%	0.094	28%	0.282	C	S	.	.			trans	-120.8	146.8	-175.8	-62.8	-178	0	0	0	111.8	L99 L102 Q109 L110 F878	L99-L104 HydrophobicContact CD2-CB 3.84Å; L99-L104 HydrophobicContact CD2-CD1 4.34Å; L99-L104 PolarHBondContact O-N 3.33Å; L102-L104 HydrophobicContact CB-CD1 4.1Å; L102-L104 HydrophobicContact CB-CG 4.04Å; L104-Q109 HydrophobicContact CD2-CG 4.26Å; L104-L110 HydrophobicContact CD1-CB 3.69Å; L104-L110 HydrophobicContact CD1-CD1 3.83Å; L104-L110 HydrophobicContact CD1-CG 4.31Å; L104-F878 HydrophobicContact CD1-CE1 3.94Å; L104-F878 HydrophobicContact CD1-CZ 4.16Å; L104-F878 HydrophobicContact CD2-CZ 4.21Å
105	E	97.6	Very high	98.3	Very high	180 Å²	180	50.4 Å²	50.4	84%	0.841	27%	0.274	S	S	*	.	S	Bend	trans	-83.4	-23.1	179.7	-61.1	-175.8	174.8	0	0	113.2
106	S	98.3	Very high	98.3	Very high	47 Å²	47	50.4 Å²	50.4	33%	0.329	28%	0.275	S	S	.	.			trans	-161.1	159.1	-176.1	66.7	0	0	0	0	113.9	A108 Q109 L110	S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 2.89Å; S106-Q109 WeakPolarHBondContact O-CB 3.47Å; S106-Q109 PolarHBondContact O-N 2.86Å; S106-Q109 VanDerWaalsContact O-N 3.16Å; S106-Q109 PolarHBondContact OG-N 3.31Å; S106-L110 PolarHBondContact O-N 3.36Å
107	V	98.1	Very high	98.1	Very high	20 Å²	20	48 Å²	48	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-35	171.9	-170.3	0	0	0	0	111.3	L99 Q109 L110 I111 E851 L855	L99-V107 HydrophobicContact CD1-CG2 3.9Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.35Å; V107-L110 WeakPolarHBondContact O-CB 3.36Å; V107-L110 PolarHBondContact O-N 3.02Å; V107-L110 VanDerWaalsContact O-N 3.1Å; V107-I111 WeakPolarHBondContact O-CG1 3Å; V107-I111 PolarHBondContact O-N 3.22Å; V107-E851 HydrophobicContact CG1-CB 3.79Å; V107-E851 HydrophobicContact CG1-CG 4.39Å; V107-L855 HydrophobicContact CG2-CD2 4.24Å
108	A	97.7	Very high	98	Very high	51 Å²	51	47.6 Å²	47.6	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-39.3	174.4	0	0	0	0	0	112.3	S106 I111 E112	S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 2.89Å; A108-I111 PolarHBondContact O-N 2.86Å; A108-E112 WeakPolarHBondContact O-CB 3.37Å; A108-E112 PolarHBondContact O-N 3.13Å
109	Q	98.4	Very high	97.9	Very high	63 Å²	63	48 Å²	48	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-35.7	175	-167	-173.2	25.1	0	0	112.1	L104 S106 V107 E112 N113	L104-Q109 HydrophobicContact CD2-CG 4.26Å; S106-Q109 WeakPolarHBondContact O-CB 3.47Å; S106-Q109 PolarHBondContact O-N 2.86Å; S106-Q109 VanDerWaalsContact O-N 3.16Å; S106-Q109 PolarHBondContact OG-N 3.31Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.35Å; Q109-E112 PolarHBondContact O-N 3.08Å; Q109-N113 WeakPolarHBondContact O-CB 3.42Å; Q109-N113 VanDerWaalsContact O-CG 3.28Å; Q109-N113 PolarHBondContact O-N 3.04Å; Q109-N113 PolarHBondContact O-ND2 3.5Å
110	L	98.7	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-50.3	171.1	178.1	60.8	0	0	0	110.6	L102 L104 S106 V107 E112 N113 T114 I854 L855 N858 F878	L102-L110 HydrophobicContact CD1-CD2 4.45Å; L104-L110 HydrophobicContact CD1-CB 3.69Å; L104-L110 HydrophobicContact CD1-CD1 3.83Å; L104-L110 HydrophobicContact CD1-CG 4.31Å; S106-L110 PolarHBondContact O-N 3.36Å; V107-L110 WeakPolarHBondContact O-CB 3.36Å; V107-L110 PolarHBondContact O-N 3.02Å; V107-L110 VanDerWaalsContact O-N 3.1Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 2.87Å; L110-N113 CarbonylContact O-C 3.58Å; L110-N113 WeakPolarHBondContact O-CA 3.46Å; L110-N113 PolarHBondContact O-N 2.86Å; L110-T114 WeakPolarHBondContact O-CB 3.45Å; L110-T114 PolarHBondContact O-N 2.97Å; L110-T114 PolarHBondContact O-OG1 2.82Å; L110-I854 HydrophobicContact CD2-CG2 4.12Å; L110-I854 HydrophobicContact CG-CG2 4.26Å; L110-L855 HydrophobicContact CD2-CB 4.01Å; L110-L855 HydrophobicContact CD2-CD1 3.82Å; L110-N858 HydrophobicContact CD1-CB 4.39Å; L110-F878 HydrophobicContact CD1-CD1 3.34Å; L110-F878 HydrophobicContact CD1-CE1 3.7Å; L110-F878 HydrophobicContact CD1-CG 4.02Å
111	I	98.5	Very high	97.6	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-38.6	178.9	-60.9	-46.5	0	0	0	112	V107 A108 N113 T114 V115 L757 E851 I854	V107-I111 WeakPolarHBondContact O-CG1 3Å; V107-I111 PolarHBondContact O-N 3.22Å; A108-I111 PolarHBondContact O-N 2.86Å; I111-N113 PolarHBondContact O-N 3.27Å; I111-T114 PolarHBondContact O-N 3.19Å; I111-V115 HydrophobicContact CG2-CB 4.28Å; I111-V115 HydrophobicContact CG2-CG2 3.99Å; I111-V115 PolarHBondContact O-N 2.78Å; I111-L757 HydrophobicContact CD1-CD1 3.82Å; I111-L757 HydrophobicContact CG1-CD1 4.26Å; I111-L757 HydrophobicContact CG2-CD1 4.11Å; I111-L757 HydrophobicContact CG2-CD2 4.15Å; I111-E851 HydrophobicContact CD1-CG 4.47Å; I111-E851 HydrophobicContact CG1-CG 4.14Å; I111-I854 HydrophobicContact CD1-CB 4.26Å; I111-I854 HydrophobicContact CD1-CD1 3.81Å; I111-I854 HydrophobicContact CD1-CG2 4.11Å
112	E	97.6	Very high	97.3	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-20.3	172.4	-84.8	172.1	-172.8	0	0	114.3	A108 Q109 L110 R120 K876	A108-E112 WeakPolarHBondContact O-CB 3.37Å; A108-E112 PolarHBondContact O-N 3.13Å; Q109-E112 PolarHBondContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 2.87Å; E112-R120 IonicContact OE1-NH1 2.82Å; E112-R120 IonicContact OE1-NH2 2.7Å; E112-R120 PolarHBondContact OE1-NH2 2.86Å; E112-K876 PolarHBondContact O-NZ 2.86Å
113	N	97.9	Very high	97.1	Very high	42 Å²	42	53.9 Å²	53.9	23%	0.225	30%	0.3	C	S	.	.	H	α-helix	trans	-98.9	-7.9	174.7	-69.8	-27.9	0	0	0	114.4	Q109 L110 I111 K876 F878	Q109-N113 WeakPolarHBondContact O-CB 3.42Å; Q109-N113 VanDerWaalsContact O-CG 3.28Å; Q109-N113 PolarHBondContact O-N 3.04Å; Q109-N113 PolarHBondContact O-ND2 3.5Å; L110-N113 CarbonylContact O-C 3.58Å; L110-N113 WeakPolarHBondContact O-CA 3.46Å; L110-N113 PolarHBondContact O-N 2.86Å; I111-N113 PolarHBondContact O-N 3.27Å; N113-K876 VanDerWaalsContact CA-CD 3.5Å; N113-K876 HydrophobicContact CB-CD 3.9Å; N113-K876 WeakPolarHBondContact O-CB 3.27Å; N113-K876 WeakPolarHBondContact O-CD 3.38Å; N113-K876 WeakPolarHBondContact OD1-CD 3.32Å; N113-K876 PolarHBondContact OD1-NZ 3.26Å; N113-F878 HydrophobicContact CB-CD2 3.63Å; N113-F878 HydrophobicContact CB-CE2 3.56Å; N113-F878 HydrophobicContact CB-CG 4.5Å; N113-F878 HydrophobicContact CB-CZ 4.35Å
114	T	98.3	Very high	96.9	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-115.6	-41.1	-175.5	-61.1	0	0	0	0	113.6	L110 I111 F726 I854 F878 V879	L110-T114 WeakPolarHBondContact O-CB 3.45Å; L110-T114 PolarHBondContact O-N 2.97Å; L110-T114 PolarHBondContact O-OG1 2.82Å; I111-T114 PolarHBondContact O-N 3.19Å; T114-F726 HydrophobicContact CG2-CD2 3.68Å; T114-F726 HydrophobicContact CG2-CE2 3.73Å; T114-F726 WeakPolarHBondContact O-CD2 3.44Å; T114-I854 HydrophobicContact CG2-CG2 3.89Å; T114-F878 VanDerWaalsContact OG1-CB 3.24Å; T114-F878 WeakPolarHBondContact OG1-CB 3.44Å; T114-V879 WeakPolarHBondContact CG2-O 3.49Å
115	V	98.1	Very high	96.9	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.024	30%	0.299	C	S	.	.	S	Bend	trans	-105	120.3	-173.6	-171.1	0	0	0	0	110.4	I111 S117 I119 R120 F726 L757 I854	I111-V115 HydrophobicContact CG2-CB 4.28Å; I111-V115 HydrophobicContact CG2-CG2 3.99Å; I111-V115 PolarHBondContact O-N 2.78Å; V115-S117 PolarHBondContact O-N 3.4Å; V115-I119 HydrophobicContact CG1-CD1 4.35Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; V115-R120 HydrophobicContact CB-CG 4.15Å; V115-R120 HydrophobicContact CG1-CG 3.75Å; V115-R120 WeakPolarHBondContact O-CD 3.34Å; V115-F726 HydrophobicContact CG1-CE1 4.33Å; V115-F726 HydrophobicContact CG2-CD2 4.43Å; V115-F726 HydrophobicContact CG2-CE1 4.39Å; V115-F726 HydrophobicContact CG2-CE2 3.9Å; V115-F726 HydrophobicContact CG2-CZ 3.87Å; V115-L757 HydrophobicContact CG2-CD1 4.29Å; V115-I854 HydrophobicContact CG2-CD1 4.45Å
116	P	97.3	Very high	96.9	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.052	29%	0.29	C	S	.	.			trans	-55.8	133.3	-178	-27.5	34.4	0	0	0	113.5	S118 I119 R120 F726	P116-S118 PolarHBondContact O-N 2.88Å; P116-I119 HydrophobicContact CB-CG1 4.29Å; P116-I119 VanDerWaalsContact O-CG1 3.22Å; P116-I119 WeakPolarHBondContact O-CG1 3.31Å; P116-I119 PolarHBondContact O-N 3.07Å; P116-R120 PolarHBondContact O-N 3.15Å; P116-F726 HydrophobicContact CG-CB 4.32Å
117	S	96	Very high	96.8	Very high	97 Å²	97	54.4 Å²	54.4	68%	0.678	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.8	-176.6	54	0	0	0	0	113.8	V115 I119	V115-S117 PolarHBondContact O-N 3.4Å; S117-I119 PolarHBondContact O-N 2.92Å
118	S	95.6	Very high	96.8	Very high	61 Å²	61	56.9 Å²	56.9	43%	0.427	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.7	176	51.7	0	0	0	0	114.9	P116 R731	P116-S118 PolarHBondContact O-N 2.88Å; S118-R731 PolarHBondContact O-NH2 3.14Å
119	I	97.6	Very high	96.7	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-8.3	-177.9	66	162.5	0	0	0	114.3	V115 P116 S117 Y719 I730 C758 Y763	V115-I119 HydrophobicContact CG1-CD1 4.35Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; P116-I119 HydrophobicContact CB-CG1 4.29Å; P116-I119 VanDerWaalsContact O-CG1 3.22Å; P116-I119 WeakPolarHBondContact O-CG1 3.31Å; P116-I119 PolarHBondContact O-N 3.07Å; S117-I119 PolarHBondContact O-N 2.92Å; I119-Y719 HydrophobicContact CD1-CE1 3.36Å; I119-Y719 VanDerWaalsContact CD1-OH 3.22Å; I119-Y719 WeakPolarHBondContact CD1-OH 3.18Å; I119-I730 HydrophobicContact CG2-CG2 3.96Å; I119-C758 HydrophobicContact CB-CB 4.49Å; I119-C758 HydrophobicContact CD1-CB 4.06Å; I119-C758 HydrophobicContact CG1-CB 4.2Å; I119-C758 VanDerWaalsContact O-CB 3.24Å; I119-C758 WeakPolarHBondContact O-CB 3.39Å; I119-Y763 HydrophobicContact CB-CD1 3.87Å; I119-Y763 HydrophobicContact CB-CG 4.23Å; I119-Y763 HydrophobicContact CD1-CD1 4.39Å; I119-Y763 HydrophobicContact CD1-CE1 4.4Å; I119-Y763 HydrophobicContact CG2-CD1 4.06Å; I119-Y763 HydrophobicContact CG2-CG 3.89Å
120	R	96.4	Very high	96.7	Very high	71 Å²	71	60.5 Å²	60.5	27%	0.268	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-65.4	135.3	-179.5	-82.4	173.2	66.5	-153.5	9	111.3	E112 V115 P116 Q122 L757	E112-R120 IonicContact OE1-NH1 2.82Å; E112-R120 IonicContact OE1-NH2 2.7Å; E112-R120 PolarHBondContact OE1-NH2 2.86Å; V115-R120 HydrophobicContact CB-CG 4.15Å; V115-R120 HydrophobicContact CG1-CG 3.75Å; V115-R120 WeakPolarHBondContact O-CD 3.34Å; P116-R120 PolarHBondContact O-N 3.15Å; R120-Q122 PolarHBondContact O-N 2.85Å; R120-Q122 PolarHBondContact O-NE2 3.25Å; R120-L757 CarbonylContact C-O 3.54Å; R120-L757 VanDerWaalsContact CA-O 3.31Å; R120-L757 WeakPolarHBondContact CA-O 3.35Å
121	I	94.8	Very high	96.7	Very high	29 Å²	29	62.3 Å²	62.3	15%	0.149	32%	0.32	C	S	.	.			trans	-68.8	126.5	177.2	-165.4	176	0	0	0	110.4	R123 L125 G756 L757 R759	I121-R123 HydrophobicContact CD1-CG 3.94Å; I121-R123 HydrophobicContact CG1-CG 3.73Å; I121-R123 WeakPolarHBondContact CG1-O 3.26Å; I121-R123 PolarHBondContact O-N 2.96Å; I121-L125 HydrophobicContact CD1-CD2 4.2Å; I121-G756 WeakPolarHBondContact CG2-O 3.23Å; I121-L757 PolarHBondContact N-O 3.4Å; I121-R759 HydrophobicContact CD1-CG 4.36Å
122	Q	91.2	Very high	96.7	Very high	164 Å²	164	62.4 Å²	62.4	77%	0.766	32%	0.321	S	S	*	.	S	Bend	trans	-89.9	26.1	-175.9	-56	-58.9	-52.6	0	0	112.8	R120	R120-Q122 PolarHBondContact O-N 2.85Å; R120-Q122 PolarHBondContact O-NE2 3.25Å
123	R	95.2	Very high	96.8	Very high	81 Å²	81	59.9 Å²	59.9	31%	0.306	31%	0.309	S	S	.	.	S	Bend	trans	-162.8	156.6	-176.1	60.4	172	-169.1	86.6	-4.8	110.5	I121 E624	I121-R123 HydrophobicContact CD1-CG 3.94Å; I121-R123 HydrophobicContact CG1-CG 3.73Å; I121-R123 WeakPolarHBondContact CG1-O 3.26Å; I121-R123 PolarHBondContact O-N 2.96Å; R123-E624 IonicContact CZ-OE1 2.75Å; R123-E624 VanDerWaalsContact CZ-OE1 3.23Å; R123-E624 IonicContact CZ-OE2 3.63Å; R123-E624 IonicContact NH1-OE1 3.21Å; R123-E624 PolarHBondContact NH1-OE1 2.78Å; R123-E624 IonicContact NH1-OE2 2.74Å; R123-E624 VanDerWaalsContact NH2-CD 3.31Å; R123-E624 IonicContact NH2-OE1 3.73Å; R123-E624 PolarHBondContact NH2-OE1 3.43Å; R123-E624 IonicContact NH2-OE2 3.35Å; R123-E624 PolarHBondContact NH2-OE2 2.82Å
124	N	93.6	Very high	96.8	Very high	128 Å²	128	62.2 Å²	62.2	68%	0.684	32%	0.322	S	S	*	.			trans	-64.6	159.4	166	-57.9	2.1	0	0	0	110.9
125	L	97.5	Very high	96.8	Very high	10 Å²	10	66 Å²	66	5%	0.052	34%	0.339	C	S	.	.			trans	-68.6	141.7	172.7	-59.8	163.4	0	0	0	110.4	I121 M127 E624 L625 S843	I121-L125 HydrophobicContact CD1-CD2 4.2Å; L125-M127 VanDerWaalsContact C-N 3.29Å; L125-M127 HydrophobicContact CB-CG 3.91Å; L125-M127 HydrophobicContact CB-SD 4.08Å; L125-M127 HydrophobicContact CD1-SD 4.06Å; L125-M127 PolarHBondContact O-N 2.82Å; L125-M127 VanDerWaalsContact O-N 3.13Å; L125-E624 WeakPolarHBondContact CA-OE1 3.24Å; L125-E624 HydrophobicContact CB-CG 4.46Å; L125-E624 HydrophobicContact CD2-CG 4.45Å; L125-L625 HydrophobicContact CD1-CD2 3.54Å; L125-L625 HydrophobicContact CD2-CD2 4.24Å; L125-L625 HydrophobicContact CG-CD2 4.43Å; L125-S843 WeakPolarHBondContact CB-OG 3.15Å; L125-S843 PolarHBondContact N-OG 2.61Å; L125-S843 PolarHBondContact O-OG 3.31Å
126	K	97.6	Very high	96.8	Very high	153 Å²	153	65.9 Å²	65.9	67%	0.665	34%	0.338	S	S	*	.			trans	-90.2	64	-178.8	-74.1	174.5	178.6	179.3	0	110.9	E624	K126-E624 HydrophobicContact CB-CG 4.48Å; K126-E624 PolarHBondContact N-OE1 2.77Å
127	M	97.4	Very high	96.9	Very high	30 Å²	30	67.6 Å²	67.6	15%	0.148	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-97.5	169.2	-179.8	-59.6	-176.2	76.4	0	0	111.3	L125 D621 L625 I838 L846	L125-M127 VanDerWaalsContact C-N 3.29Å; L125-M127 HydrophobicContact CB-CG 3.91Å; L125-M127 HydrophobicContact CB-SD 4.08Å; L125-M127 HydrophobicContact CD1-SD 4.06Å; L125-M127 PolarHBondContact O-N 2.82Å; L125-M127 VanDerWaalsContact O-N 3.13Å; M127-D621 HydrophobicContact CE-CB 4.49Å; M127-L625 HydrophobicContact CE-CD2 4.32Å; M127-L625 HydrophobicContact SD-CD2 3.89Å; M127-I838 HydrophobicContact CE-CG2 3.53Å; M127-L846 HydrophobicContact CE-CD1 3.6Å; M127-L846 HydrophobicContact SD-CD1 3.84Å
128	D	96.3	Very high	97	Very high	72 Å²	72	68.8 Å²	68.8	39%	0.385	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-72.5	159.8	166.5	-45.5	-50.4	0	0	0	109.1	K620 K839	D128-K620 IonicContact OD1-NZ 3.93Å; D128-K620 PolarHBondContact OD1-NZ 2.76Å; D128-K620 IonicContact OD2-NZ 3.76Å; D128-K620 PolarHBondContact OD2-NZ 2.96Å; D128-K839 IonicContact OD2-NZ 2.81Å; D128-K839 PolarHBondContact OD2-NZ 2.78Å
129	D	96.9	Very high	97.2	Very high	151 Å²	151	67 Å²	67	81%	0.807	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-61.2	146.1	176.1	-73.3	-50.9	0	0	0	111.5	I131	D129-I131 PolarHBondContact O-N 3.21Å
130	P	98.1	Very high	97.2	Very high	39 Å²	39	66.7 Å²	66.7	25%	0.253	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-66.4	132.8	-178.1	27.2	-34.8	0	0	0	112.1	R79 K839 M840	R79-P130 PolarHBondContact NH2-O 3.11Å; P130-K839 WeakPolarHBondContact CA-O 3.49Å; P130-M840 VanDerWaalsContact CB-O 3.27Å; P130-M840 WeakPolarHBondContact CB-O 3.45Å
131	I	98.5	Very high	97.3	Very high	39 Å²	39	66.3 Å²	66.3	20%	0.2	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-80.8	139.3	174.9	-51.1	-177	0	0	0	108.5	R79 D129 E135 V136 A139 W835 K839 M840	R79-I131 VanDerWaalsContact NH2-C 3.33Å; R79-I131 PolarHBondContact NH2-O 3.39Å; R79-I131 VanDerWaalsContact NH2-O 3.07Å; D129-I131 PolarHBondContact O-N 3.21Å; I131-E135 HydrophobicContact CG2-CB 3.71Å; I131-V136 HydrophobicContact CG2-CB 4.46Å; I131-A139 HydrophobicContact CD1-CB 3.99Å; I131-A139 HydrophobicContact CG2-CB 4.46Å; I131-W835 HydrophobicContact CD1-CH2 4.43Å; I131-K839 HydrophobicContact CD1-CB 3.96Å; I131-K839 HydrophobicContact CG1-CB 4.32Å; I131-K839 PolarHBondContact N-O 3.04Å; I131-M840 WeakPolarHBondContact O-CA 3.12Å
132	C	98.7	Very high	97.5	Very high	7 Å²	7	70.4 Å²	70.4	5%	0.047	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-69.5	149.2	173.4	-47.7	0	0	0	0	110.7	D81 N134 E135 V136	D81-C132 VanDerWaalsContact OD2-CA 3.32Å; D81-C132 WeakPolarHBondContact OD2-CA 3.48Å; D81-C132 WeakPolarHBondContact OD2-CB 3.2Å; C132-N134 WeakPolarHBondContact CB-OD1 3.33Å; C132-N134 PolarHBondContact O-N 3.41Å; C132-E135 HydrophobicContact CB-CG 4.25Å; C132-E135 WeakPolarHBondContact CB-OE2 3.22Å; C132-E135 WeakPolarHBondContact O-CA 3.36Å; C132-E135 PolarHBondContact O-N 3.06Å; C132-E135 PolarHBondContact SG-OE2 3.43Å; C132-V136 PolarHBondContact O-N 3.01Å
133	E	98.8	Very high	97.9	Very high	50 Å²	50	62.6 Å²	62.6	23%	0.234	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-38.1	179.9	-176.7	174	-159.8	0	0	110.9	D81 F83 E135 V136 S586 M840	D81-E133 PolarHBondContact OD1-N 2.96Å; D81-E133 PolarHBondContact OD2-N 2.86Å; F83-E133 HydrophobicContact CD2-CB 4.18Å; F83-E133 HydrophobicContact CD2-CG 4.16Å; E133-E135 PolarHBondContact O-N 3.03Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E133-V136 WeakPolarHBondContact O-CG1 3.41Å; E133-V136 PolarHBondContact O-N 3.5Å; E133-S586 WeakPolarHBondContact CG-OG 3.22Å; E133-S586 WeakPolarHBondContact OE1-CB 3.49Å; E133-S586 PolarHBondContact OE1-OG 2.93Å; E133-M840 HydrophobicContact CB-SD 4.1Å; E133-M840 HydrophobicContact CG-SD 4.04Å
134	N	98.4	Very high	98	Very high	91 Å²	91	58.8 Å²	58.8	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-12.9	175.5	81.9	-72.5	0	0	0	114.5	H80 D81 C132	H80-N134 PolarHBondContact ND1-OD1 3.26Å; H80-N134 VanDerWaalsContact ND1-OD1 3.08Å; D81-N134 PolarHBondContact OD1-N 3.4Å; D81-N134 PolarHBondContact OD1-OD1 2.96Å; C132-N134 WeakPolarHBondContact CB-OD1 3.33Å; C132-N134 PolarHBondContact O-N 3.41Å
135	E	98.6	Very high	98.3	Very high	94 Å²	94	56.1 Å²	56.1	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-109.1	-19.8	-179.1	-63.5	-179.6	102.7	0	0	113.2	I131 C132 E133 L137 E138 A139	I131-E135 HydrophobicContact CG2-CB 3.71Å; C132-E135 HydrophobicContact CB-CG 4.25Å; C132-E135 WeakPolarHBondContact CB-OE2 3.22Å; C132-E135 WeakPolarHBondContact O-CA 3.36Å; C132-E135 PolarHBondContact O-N 3.06Å; C132-E135 PolarHBondContact SG-OE2 3.43Å; E133-E135 PolarHBondContact O-N 3.03Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.95Å; E135-E138 PolarHBondContact O-N 3.34Å; E135-A139 WeakPolarHBondContact O-CB 3.16Å; E135-A139 PolarHBondContact O-N 2.77Å
136	V	98.7	Very high	98.3	Very high	1 Å²	1	60 Å²	60	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-40.1	-170.1	78.3	0	0	0	0	112.8	I131 C132 E133 A139 L140 W835 A836 M840	I131-V136 HydrophobicContact CG2-CB 4.46Å; C132-V136 PolarHBondContact O-N 3.01Å; E133-V136 WeakPolarHBondContact O-CG1 3.41Å; E133-V136 PolarHBondContact O-N 3.5Å; V136-A139 PolarHBondContact O-N 2.78Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 PolarHBondContact O-N 3.45Å; V136-W835 HydrophobicContact CG2-CZ3 4.03Å; V136-A836 HydrophobicContact CG2-CB 4.12Å; V136-M840 HydrophobicContact CB-CG 3.85Å; V136-M840 HydrophobicContact CB-SD 3.93Å; V136-M840 HydrophobicContact CG1-CG 4.3Å; V136-M840 HydrophobicContact CG1-SD 3.7Å; V136-M840 HydrophobicContact CG2-CG 3.68Å; V136-M840 HydrophobicContact CG2-SD 4.1Å
137	L	98.7	Very high	98.4	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-37.2	-178.9	-59.5	-177.5	0	0	0	111.3	E135 L140 Q141 S586 M589 P590 W593	E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.95Å; L137-L140 PolarHBondContact O-N 3.11Å; L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.43Å; L137-Q141 PolarHBondContact O-N 3.24Å; L137-S586 WeakPolarHBondContact CD2-O 3.42Å; L137-M589 HydrophobicContact CD1-CE 3.75Å; L137-M589 HydrophobicContact CD1-SD 4.06Å; L137-P590 HydrophobicContact CD2-CG 4.04Å; L137-W593 HydrophobicContact CB-CH2 4.15Å; L137-W593 HydrophobicContact CB-CZ2 4.21Å; L137-W593 HydrophobicContact CD2-CH2 4.15Å; L137-W593 HydrophobicContact CD2-CZ2 3.92Å; L137-W593 WeakPolarHBondContact O-CH2 3.46Å
138	E	98.7	Very high	98.4	Very high	121 Å²	121	55.5 Å²	55.5	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-70.2	-39.4	174.7	-155.8	-156.7	139.5	0	0	111.1	E135 L140 Q141 K142	E135-E138 PolarHBondContact O-N 3.34Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.09Å; E138-Q141 PolarHBondContact O-N 3.25Å; E138-K142 WeakPolarHBondContact O-CD 3.39Å; E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.33Å; E138-K142 PolarHBondContact O-N 3.34Å; E138-K142 VanDerWaalsContact O-N 3.11Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å; E138-K142 IonicContact OE1-NZ 2.75Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å; E138-K142 IonicContact OE2-NZ 2.66Å
139	A	98.6	Very high	98.5	Very high	24 Å²	24	53.7 Å²	53.7	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-39.4	175.1	0	0	0	0	0	112.3	I131 E135 V136 W835	I131-A139 HydrophobicContact CD1-CB 3.99Å; I131-A139 HydrophobicContact CG2-CB 4.46Å; E135-A139 WeakPolarHBondContact O-CB 3.16Å; E135-A139 PolarHBondContact O-N 2.77Å; V136-A139 PolarHBondContact O-N 2.78Å; A139-W835 HydrophobicContact CB-CH2 4.38Å
140	L	98.6	Very high	98.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-77.7	-35.1	176.8	-174.2	57.1	0	0	0	112.6	V136 L137 E138 K142 I143 A144 P590 W593 F596 L614 P832 W835	V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 PolarHBondContact O-N 3.45Å; L137-L140 PolarHBondContact O-N 3.11Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.09Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.39Å; L140-I143 HydrophobicContact CD1-CB 4.36Å; L140-I143 HydrophobicContact CD1-CD1 4.2Å; L140-I143 CarbonylContact O-C 3.58Å; L140-I143 VanDerWaalsContact O-CA 3.31Å; L140-I143 WeakPolarHBondContact O-CA 3.42Å; L140-I143 WeakPolarHBondContact O-CB 3.4Å; L140-I143 PolarHBondContact O-N 3.41Å; L140-A144 PolarHBondContact O-N 2.91Å; L140-P590 HydrophobicContact CD2-CB 3.55Å; L140-P590 HydrophobicContact CD2-CG 3.35Å; L140-W593 HydrophobicContact CB-CH2 4.28Å; L140-W593 HydrophobicContact CB-CZ3 4.15Å; L140-W593 HydrophobicContact CD2-CH2 4.34Å; L140-W593 HydrophobicContact CD2-CZ3 4.15Å; L140-W593 HydrophobicContact CG-CH2 4.35Å; L140-W593 HydrophobicContact CG-CZ3 3.88Å; L140-F596 HydrophobicContact CD1-CE2 4.16Å; L140-F596 HydrophobicContact CD1-CZ 3.86Å; L140-F596 HydrophobicContact CD2-CE2 4.34Å; L140-F596 HydrophobicContact CG-CE2 4.1Å; L140-F596 HydrophobicContact CG-CZ 4.27Å; L140-L614 HydrophobicContact CD1-CD1 4.06Å; L140-P832 HydrophobicContact CD2-CB 4.1Å; L140-W835 HydrophobicContact CB-CE3 4.47Å; L140-W835 HydrophobicContact CB-CH2 4.19Å; L140-W835 HydrophobicContact CB-CZ3 3.76Å; L140-W835 HydrophobicContact CD1-CD2 4.29Å; L140-W835 HydrophobicContact CD1-CE3 3.84Å; L140-W835 HydrophobicContact CD1-CH2 4.35Å; L140-W835 HydrophobicContact CD1-CZ3 3.9Å; L140-W835 HydrophobicContact CD2-CE3 4.35Å; L140-W835 HydrophobicContact CD2-CZ3 4.38Å; L140-W835 HydrophobicContact CG-CE3 4.45Å; L140-W835 HydrophobicContact CG-CZ3 4.22Å
141	Q	98.7	Very high	98.7	Very high	64 Å²	64	49.5 Å²	49.5	30%	0.299	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-30.5	175.7	-175.1	58.9	3.4	0	0	111.7	L137 E138 I143 A144 S145 W593 E595	L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.43Å; L137-Q141 PolarHBondContact O-N 3.24Å; E138-Q141 PolarHBondContact O-N 3.25Å; Q141-I143 PolarHBondContact O-N 2.75Å; Q141-I143 VanDerWaalsContact O-N 3.16Å; Q141-A144 PolarHBondContact O-N 2.9Å; Q141-S145 VanDerWaalsContact O-CB 3.28Å; Q141-S145 WeakPolarHBondContact O-CB 3.27Å; Q141-S145 PolarHBondContact O-N 3.12Å; Q141-S145 PolarHBondContact O-OG 2.91Å; Q141-W593 HydrophobicContact CB-CH2 4.25Å; Q141-W593 HydrophobicContact CB-CZ3 4.01Å; Q141-W593 VanDerWaalsContact OE1-CE3 3.29Å; Q141-E595 PolarHBondContact NE2-OE1 3.22Å
142	K	98.7	Very high	98.7	Very high	114 Å²	114	48.2 Å²	48.2	50%	0.496	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-5.5	166.4	-67.3	160.3	-173.1	161.6	0	114.1	E138 L140	E138-K142 WeakPolarHBondContact O-CD 3.39Å; E138-K142 VanDerWaalsContact O-CG 3.25Å; E138-K142 WeakPolarHBondContact O-CG 3.33Å; E138-K142 PolarHBondContact O-N 3.34Å; E138-K142 VanDerWaalsContact O-N 3.11Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å; E138-K142 IonicContact OE1-NZ 2.75Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å; E138-K142 IonicContact OE2-NZ 2.66Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.39Å
143	I	98.8	Very high	98.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-103.2	-53.8	169.7	-56.1	178	0	0	0	109.3	L140 Q141 S145 K146 G610 K613 L614 Q617 W835	L140-I143 HydrophobicContact CD1-CB 4.36Å; L140-I143 HydrophobicContact CD1-CD1 4.2Å; L140-I143 CarbonylContact O-C 3.58Å; L140-I143 VanDerWaalsContact O-CA 3.31Å; L140-I143 WeakPolarHBondContact O-CA 3.42Å; L140-I143 WeakPolarHBondContact O-CB 3.4Å; L140-I143 PolarHBondContact O-N 3.41Å; Q141-I143 PolarHBondContact O-N 2.75Å; Q141-I143 VanDerWaalsContact O-N 3.16Å; I143-S145 PolarHBondContact O-N 2.96Å; I143-K146 WeakPolarHBondContact O-CB 3.36Å; I143-K146 PolarHBondContact O-N 3.2Å; I143-K146 VanDerWaalsContact O-N 3.15Å; I143-G610 WeakPolarHBondContact CG2-O 3.5Å; I143-G610 WeakPolarHBondContact O-CA 3.37Å; I143-K613 HydrophobicContact CD1-CD 4.42Å; I143-K613 HydrophobicContact CG1-CD 3.96Å; I143-K613 HydrophobicContact CG2-CB 4.17Å; I143-K613 HydrophobicContact CG2-CD 4.26Å; I143-K613 HydrophobicContact CG2-CG 4.3Å; I143-L614 HydrophobicContact CG2-CB 4.34Å; I143-Q617 VanDerWaalsContact CD1-OE1 3.24Å; I143-W835 HydrophobicContact CD1-CH2 4.04Å; I143-W835 HydrophobicContact CD1-CZ2 3.41Å; I143-W835 VanDerWaalsContact CD1-CZ2 3.41Å
144	A	98.7	Very high	98.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-45.7	-175.4	0	0	0	0	0	112.5	L140 Q141 K146 N147 W593 E595 F596	L140-A144 PolarHBondContact O-N 2.91Å; Q141-A144 PolarHBondContact O-N 2.9Å; A144-K146 PolarHBondContact O-N 2.94Å; A144-N147 WeakPolarHBondContact O-CB 3.3Å; A144-N147 PolarHBondContact O-N 3.06Å; A144-W593 HydrophobicContact CB-CE3 4.04Å; A144-W593 HydrophobicContact CB-CZ3 4.34Å; A144-E595 HydrophobicContact CB-CB 3.85Å; A144-F596 HydrophobicContact CB-CD2 4.2Å; A144-F596 HydrophobicContact CB-CE1 4.15Å; A144-F596 HydrophobicContact CB-CE2 3.59Å; A144-F596 HydrophobicContact CB-CZ 3.56Å
145	S	98.6	Very high	98.7	Very high	73 Å²	73	41.8 Å²	41.8	51%	0.51	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-3	178.1	57.7	0	0	0	0	116	Q141 I143	Q141-S145 VanDerWaalsContact O-CB 3.28Å; Q141-S145 WeakPolarHBondContact O-CB 3.27Å; Q141-S145 PolarHBondContact O-N 3.12Å; Q141-S145 PolarHBondContact O-OG 2.91Å; I143-S145 PolarHBondContact O-N 2.96Å
146	K	98.8	Very high	98.7	Very high	92 Å²	92	37.8 Å²	37.8	40%	0.4	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.5	169.1	-66.4	173.7	154.1	-75.7	0	113.4	I143 A144 E609	I143-K146 WeakPolarHBondContact O-CB 3.36Å; I143-K146 PolarHBondContact O-N 3.2Å; I143-K146 VanDerWaalsContact O-N 3.15Å; A144-K146 PolarHBondContact O-N 2.94Å; K146-E609 HydrophobicContact CB-CB 4.05Å; K146-E609 IonicContact NZ-OE2 2.76Å
147	N	98.9	Very high	98.7	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.053	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-76	141.9	171.6	-65.6	-19	0	0	0	109.8	A144 E595 I599 Q607 A608 G610 Y611	A144-N147 WeakPolarHBondContact O-CB 3.3Å; A144-N147 PolarHBondContact O-N 3.06Å; N147-E595 WeakPolarHBondContact CB-O 2.93Å; N147-E595 PolarHBondContact ND2-O 3.22Å; N147-I599 HydrophobicContact CB-CD1 3.97Å; N147-I599 HydrophobicContact CB-CG1 4.26Å; N147-Q607 CarbonylContact C-O 3.58Å; N147-Q607 VanDerWaalsContact CA-O 3.23Å; N147-Q607 WeakPolarHBondContact CA-O 3.45Å; N147-A608 WeakPolarHBondContact OD1-CA 3.31Å; N147-A608 PolarHBondContact OD1-O 3.46Å; N147-G610 WeakPolarHBondContact OD1-CA 3.33Å; N147-G610 PolarHBondContact OD1-N 3.36Å; N147-Y611 WeakPolarHBondContact ND2-CD2 3.3Å; N147-Y611 PolarHBondContact OD1-N 3.1Å
148	K	98.8	Very high	98.7	Very high	78 Å²	78	36.5 Å²	36.5	34%	0.339	18%	0.18	S	C	.	.			trans	-106.4	106.1	-178.5	-54.7	174.1	-167.3	162	0	108.5	W150 D606 Q607	K148-W150 VanDerWaalsContact C-N 3.35Å; K148-W150 PolarHBondContact O-N 2.74Å; K148-D606 WeakPolarHBondContact CE-O 3.26Å; K148-D606 PolarHBondContact NZ-O 3.46Å; K148-D606 IonicContact NZ-OD2 3.73Å; K148-D606 PolarHBondContact NZ-OD2 3.43Å; K148-Q607 HydrophobicContact CB-CB 3.99Å; K148-Q607 HydrophobicContact CB-CG 4.22Å; K148-Q607 HydrophobicContact CD-CB 4.47Å; K148-Q607 HydrophobicContact CD-CG 4.18Å; K148-Q607 PolarHBondContact N-O 3.17Å
149	V	98.6	Very high	98.8	Very high	33 Å²	33	31.7 Å²	31.7	20%	0.2	16%	0.156	C	C	.	.			trans	-80	80.3	-174.6	-169.5	0	0	0	0	111.3	R594 E595 N598 I599	V149-R594 HydrophobicContact CG1-CG 4Å; V149-R594 HydrophobicContact CG2-CG 4.14Å; V149-E595 HydrophobicContact CG2-CG 4.44Å; V149-N598 HydrophobicContact CG1-CB 3.93Å; V149-I599 HydrophobicContact CB-CD1 4.21Å; V149-I599 HydrophobicContact CG1-CD1 4.46Å; V149-I599 HydrophobicContact CG2-CD1 3.72Å
150	W	98.8	Very high	98.8	Very high	36 Å²	36	32.4 Å²	32.4	14%	0.136	16%	0.157	C	C	.	.			trans	-88.2	149.9	-179	-77.3	29.8	0	0	0	113.1	K148 S152 V474 Q477 N479 Q607	K148-W150 VanDerWaalsContact C-N 3.35Å; K148-W150 PolarHBondContact O-N 2.74Å; W150-S152 PolarHBondContact O-N 2.91Å; W150-S152 PolarHBondContact O-OG 3.38Å; W150-V474 HydrophobicContact CH2-CB 4.16Å; W150-V474 HydrophobicContact CH2-CG1 4.1Å; W150-V474 HydrophobicContact CH2-CG2 3.99Å; W150-V474 HydrophobicContact CZ3-CG2 4.18Å; W150-Q477 WeakPolarHBondContact CB-O 3.46Å; W150-Q477 HydrophobicContact CD2-CB 3.8Å; W150-Q477 HydrophobicContact CD2-CG 4.36Å; W150-Q477 VanDerWaalsContact CE3-C 3.49Å; W150-Q477 HydrophobicContact CE3-CB 4.42Å; W150-Q477 HydrophobicContact CG-CB 3.84Å; W150-Q477 HydrophobicContact CZ2-CB 4.44Å; W150-Q477 HydrophobicContact CZ2-CG 4.15Å; W150-N479 WeakPolarHBondContact CB-ND2 3.49Å; W150-Q607 VanDerWaalsContact CE3-NE2 3.3Å
151	R	98.9	Very high	98.8	Very high	67 Å²	67	32.9 Å²	32.9	25%	0.253	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.1	171.1	-71.6	177.1	-69.7	-177.4	-0.9	108.6	Y153 R476 Q477 I478 N479 D500 D503	R151-Y153 HydrophobicContact CB-CE2 3.99Å; R151-R476 PolarHBondContact NH2-O 3.49Å; R151-Q477 PolarHBondContact N-O 2.73Å; R151-I478 HydrophobicContact CB-CG1 4.15Å; R151-I478 CarbonylContact O-C 3.53Å; R151-I478 VanDerWaalsContact O-CA 3.28Å; R151-I478 WeakPolarHBondContact O-CA 3.16Å; R151-N479 PolarHBondContact O-N 3.33Å; R151-D500 WeakPolarHBondContact CD-OD1 3.49Å; R151-D500 IonicContact CZ-OD1 3.56Å; R151-D500 IonicContact NE-OD1 3.59Å; R151-D500 IonicContact NH1-OD1 3.28Å; R151-D500 PolarHBondContact NH1-OD1 2.89Å; R151-D503 IonicContact CZ-OD2 3.89Å; R151-D503 VanDerWaalsContact CZ-OD2 3.23Å; R151-D503 IonicContact NH1-OD2 2.77Å; R151-D503 PolarHBondContact NH1-OD2 2.89Å; R151-D503 IonicContact NH2-OD2 3.98Å; R151-D503 PolarHBondContact NH2-OD2 2.86Å
152	S	98.9	Very high	98.8	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	81.6	-162.2	-64	0	0	0	0	113.2	W150 I154 N479	W150-S152 PolarHBondContact O-N 2.91Å; W150-S152 PolarHBondContact O-OG 3.38Å; S152-I154 PolarHBondContact O-N 2.81Å; S152-N479 PolarHBondContact OG-ND2 3.33Å
153	Y	98.9	Very high	98.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	40.5	-179.3	-51.4	-53	0	0	0	112.7	R151 I478 N479 V490 S491 L492 V496 L504	R151-Y153 HydrophobicContact CB-CE2 3.99Å; Y153-I478 HydrophobicContact CD2-CG2 3.73Å; Y153-I478 HydrophobicContact CE2-CD1 4.35Å; Y153-I478 HydrophobicContact CE2-CG1 4.26Å; Y153-I478 HydrophobicContact CE2-CG2 4.07Å; Y153-N479 PolarHBondContact N-O 3.31Å; Y153-V490 HydrophobicContact CG-CG1 4.42Å; Y153-S491 VanDerWaalsContact CA-O 3.26Å; Y153-S491 WeakPolarHBondContact CA-O 3.42Å; Y153-S491 VanDerWaalsContact CB-O 3.25Å; Y153-S491 WeakPolarHBondContact CB-O 3.39Å; Y153-S491 WeakPolarHBondContact CD1-O 3.47Å; Y153-S491 PolarHBondContact O-N 3Å; Y153-L492 HydrophobicContact CD1-CD2 4.26Å; Y153-L492 HydrophobicContact CG-CD2 4.39Å; Y153-V496 HydrophobicContact CD1-CG2 4.38Å; Y153-V496 HydrophobicContact CE1-CG2 3.59Å; Y153-L504 HydrophobicContact CD2-CD1 3.99Å; Y153-L504 HydrophobicContact CD2-CD2 3.94Å; Y153-L504 HydrophobicContact CD2-CG 4.36Å; Y153-L504 HydrophobicContact CE2-CD1 3.84Å; Y153-L504 HydrophobicContact CE2-CD2 4.19Å; Y153-L504 HydrophobicContact CE2-CG 4.18Å
154	I	98.9	Very high	98.7	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.041	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-34.9	-179.4	-59.9	169.2	0	0	0	110.6	S152 M156 N479 R481 H600 F602	S152-I154 PolarHBondContact O-N 2.81Å; I154-M156 HydrophobicContact CG2-CG 4.19Å; I154-M156 HydrophobicContact CG2-SD 3.75Å; I154-M156 PolarHBondContact O-N 3.04Å; I154-N479 HydrophobicContact CD1-CB 3.8Å; I154-N479 HydrophobicContact CG1-CB 3.89Å; I154-R481 HydrophobicContact CG2-CB 4.21Å; I154-H600 WeakPolarHBondContact CG2-CE1 3.27Å; I154-F602 HydrophobicContact CG2-CB 4.46Å
155	G	98.8	Very high	98.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	18%	0.179	C	C	.	.			trans	67.2	-116.9	-176.3	0	0	0	0	0	111.9	G157 Y158 S491 H600	G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.46Å; G155-Y158 CarbonylContact C-O 3.58Å; G155-Y158 WeakPolarHBondContact CA-O 3.49Å; G155-Y158 PolarHBondContact O-N 3.2Å; G155-S491 VanDerWaalsContact CA-CB 3.48Å; G155-S491 WeakPolarHBondContact CA-OG 3.14Å; G155-H600 WeakPolarHBondContact CA-NE2 3.47Å; G155-H600 PolarHBondContact N-NE2 3.22Å; G155-H600 PolarHBondContact O-CE1 3.47Å; G155-H600 PolarHBondContact O-NE2 2.87Å
156	M	98.8	Very high	98.7	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.049	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	36.8	179.3	-57.1	176.4	63.2	0	0	113.2	I154 P247 Q248 R481 F602 V805	I154-M156 HydrophobicContact CG2-CG 4.19Å; I154-M156 HydrophobicContact CG2-SD 3.75Å; I154-M156 PolarHBondContact O-N 3.04Å; M156-P247 HydrophobicContact CE-CG 3.45Å; M156-P247 VanDerWaalsContact CE-CG 3.45Å; M156-Q248 PolarHBondContact O-NE2 3.24Å; M156-R481 HydrophobicContact SD-CG 4.05Å; M156-F602 HydrophobicContact CB-CD2 3.96Å; M156-F602 HydrophobicContact CB-CE2 3.82Å; M156-F602 HydrophobicContact CE-CD2 3.99Å; M156-F602 HydrophobicContact CE-CE2 4.11Å; M156-F602 HydrophobicContact SD-CD2 3.95Å; M156-V805 HydrophobicContact CE-CB 4.38Å; M156-V805 HydrophobicContact CE-CG1 3.78Å; M156-V805 HydrophobicContact CE-CG2 3.58Å; M156-V805 HydrophobicContact SD-CG1 4.44Å
157	G	98.6	Very high	98.7	Very high	7 Å²	7	25.5 Å²	25.5	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-1.3	179.6	0	0	0	0	0	114.8	G155 H246	G155-G157 VanDerWaalsContact C-N 3.26Å; G155-G157 PolarHBondContact O-N 3.46Å; G157-H246 PolarHBondContact N-NE2 2.81Å
158	Y	98.9	Very high	98.7	Very high	10 Å²	10	27.6 Å²	27.6	4%	0.039	15%	0.146	C	C	.	.			trans	-129.7	120.1	178.4	-59.4	-90	0	0	0	110.1	G155 G347 H350 H600 P601 F602	G155-Y158 CarbonylContact C-O 3.58Å; G155-Y158 WeakPolarHBondContact CA-O 3.49Å; G155-Y158 PolarHBondContact O-N 3.2Å; Y158-G347 PolarHBondContact OH-O 2.81Å; Y158-H350 AromaticContact CD1-CE1 3.8Å; Y158-H350 AromaticContact CD1-ND1 3.95Å; Y158-H350 AromaticContact CE1-CE1 3.67Å; Y158-H350 AromaticContact CE1-ND1 3.5Å; Y158-H600 VanDerWaalsContact CB-NE2 3.33Å; Y158-H600 WeakPolarHBondContact CB-NE2 3.46Å; Y158-H600 PolarHBondContact O-CD2 2.92Å; Y158-H600 PolarHBondContact O-NE2 3.39Å; Y158-P601 HydrophobicContact CD1-CG 3.81Å; Y158-P601 HydrophobicContact CD2-CG 3.46Å; Y158-P601 VanDerWaalsContact CD2-CG 3.46Å; Y158-P601 HydrophobicContact CE1-CG 3.99Å; Y158-P601 HydrophobicContact CE2-CG 3.67Å; Y158-P601 HydrophobicContact CG-CG 3.53Å; Y158-F602 HydrophobicContact CD2-CE2 4.04Å; Y158-F602 HydrophobicContact CD2-CZ 4.23Å; Y158-F602 HydrophobicContact CE2-CE2 4.07Å; Y158-F602 AromaticContact CE2-CZ 3.81Å; Y158-F602 HydrophobicContact CE2-CZ 3.81Å
159	Y	98.9	Very high	98.7	Very high	20 Å²	20	32.6 Å²	32.6	8%	0.078	16%	0.163	C	C	.	.			trans	-135.5	136	-172.3	-50.9	-89	0	0	0	108.9	Q338	Y159-Q338 PolarHBondContact O-NE2 2.68Å; Y159-Q338 PolarHBondContact O-OE1 2.82Å; Y159-Q338 VanDerWaalsContact O-OE1 3.05Å
160	N	98.8	Very high	98.7	Very high	40 Å²	40	33 Å²	33	21%	0.214	16%	0.164	C	C	.	.			trans	-69.8	148.5	-176	-160.7	34	0	0	0	110.7	L344 D493 T495	N160-L344 HydrophobicContact CB-CD1 4.14Å; N160-D493 WeakPolarHBondContact CB-OD2 3.39Å; N160-D493 PolarHBondContact N-OD2 2.7Å; N160-D493 VanDerWaalsContact O-CB 3.24Å; N160-D493 WeakPolarHBondContact O-CB 3.5Å; N160-D493 VanDerWaalsContact O-CG 3.24Å; N160-T495 HydrophobicContact CB-CG2 4.16Å; N160-T495 WeakPolarHBondContact ND2-CG2 3.33Å; N160-T495 PolarHBondContact ND2-OG1 3.48Å
161	C	98.7	Very high	98.7	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.068	16%	0.157	C	C	.	.			trans	-142.7	152.9	-178.1	63.7	0	0	0	0	112.2	M163 R339 V342 E494	C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 2.88Å; C161-R339 WeakPolarHBondContact CB-O 3.27Å; C161-V342 PolarHBondContact SG-O 3.43Å; C161-E494 WeakPolarHBondContact CA-OE2 3.28Å; C161-E494 WeakPolarHBondContact CB-OE2 3.44Å
162	S	98.4	Very high	98.7	Very high	57 Å²	57	29.2 Å²	29.2	40%	0.399	15%	0.151	S	C	.	.			trans	-81.4	79.6	177.2	-58.8	0	0	0	0	109.6	P164 E494	S162-P164 WeakPolarHBondContact O-CD 3.23Å; S162-P164 VanDerWaalsContact O-N 3.14Å; S162-E494 WeakPolarHBondContact CB-OE1 3.16Å; S162-E494 PolarHBondContact N-OE2 3.39Å
163	M	97.8	Very high	98.7	Very high	26 Å²	26	33.3 Å²	33.3	13%	0.128	17%	0.169	C	C	.	.			trans	-50.8	117.9	173.4	179	173.8	-156.2	0	0	110.6	C161 P165 Q168 L172 G341 P343 M411	C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 2.88Å; M163-P165 WeakPolarHBondContact O-CD 3.36Å; M163-Q168 HydrophobicContact CE-CB 3.66Å; M163-Q168 HydrophobicContact CE-CG 4Å; M163-Q168 HydrophobicContact CG-CB 4.34Å; M163-Q168 HydrophobicContact SD-CB 3.96Å; M163-Q168 HydrophobicContact SD-CG 4.06Å; M163-L172 HydrophobicContact CE-CB 4.44Å; M163-L172 HydrophobicContact CE-CD2 3.84Å; M163-G341 WeakPolarHBondContact CG-O 3.33Å; M163-P343 HydrophobicContact CB-CG 4.36Å; M163-P343 HydrophobicContact SD-CG 3.53Å; M163-P343 VanDerWaalsContact SD-CG 3.53Å; M163-M411 HydrophobicContact CE-CE 3.34Å
164	P	98.6	Very high	98.7	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.052	18%	0.176	C	C	.	.			trans	-68.5	122.7	-177.6	-24.9	37.2	0	0	0	111.3	S162 P166 I167 Q168 Y415 Y418	S162-P164 WeakPolarHBondContact O-CD 3.23Å; S162-P164 VanDerWaalsContact O-N 3.14Å; P164-P166 VanDerWaalsContact C-CD 3.43Å; P164-P166 VanDerWaalsContact C-N 3.34Å; P164-P166 HydrophobicContact CB-CG 4.37Å; P164-I167 HydrophobicContact CB-CB 4.46Å; P164-I167 HydrophobicContact CB-CD1 4.01Å; P164-I167 HydrophobicContact CB-CG1 4.15Å; P164-I167 HydrophobicContact CG-CD1 3.91Å; P164-I167 PolarHBondContact O-N 3.32Å; P164-Q168 PolarHBondContact O-N 3.31Å; P164-Q168 VanDerWaalsContact O-N 3.09Å; P164-Y415 HydrophobicContact CG-CD2 3.71Å; P164-Y415 HydrophobicContact CG-CE2 4.15Å; P164-Y418 HydrophobicContact CB-CD1 4.18Å; P164-Y418 HydrophobicContact CB-CE1 4.23Å; P164-Y418 HydrophobicContact CG-CD1 4.26Å
165	P	98.8	Very high	98.7	Very high	94 Å²	94	36.3 Å²	36.3	61%	0.61	19%	0.192	S	C	*	.	H	α-helix	trans	-49.4	-39.3	177.9	-29.2	36.5	0	0	0	116	M163 I167 Q168 R169	M163-P165 WeakPolarHBondContact O-CD 3.36Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 3.17Å; P165-Q168 PolarHBondContact O-N 2.9Å; P165-R169 WeakPolarHBondContact O-CB 3.41Å; P165-R169 PolarHBondContact O-N 2.72Å
166	P	98.8	Very high	98.7	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-31.4	175.6	23.3	-34.7	0	0	0	113.5	P164 N170 E551 I554 V555 M558	P164-P166 VanDerWaalsContact C-CD 3.43Å; P164-P166 VanDerWaalsContact C-N 3.34Å; P164-P166 HydrophobicContact CB-CG 4.37Å; P166-N170 VanDerWaalsContact O-CB 3.29Å; P166-N170 WeakPolarHBondContact O-CB 3.4Å; P166-N170 PolarHBondContact O-N 3.42Å; P166-N170 PolarHBondContact O-ND2 3.24Å; P166-E551 HydrophobicContact CB-CG 3.81Å; P166-E551 HydrophobicContact CG-CG 3.93Å; P166-I554 HydrophobicContact CB-CG2 4.33Å; P166-I554 HydrophobicContact CG-CG2 4.4Å; P166-V555 HydrophobicContact CB-CG2 3.96Å; P166-M558 WeakPolarHBondContact O-CE 3.48Å
167	I	98.9	Very high	98.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-76.9	-40.2	177.7	-58.4	175.8	0	0	0	110.3	P164 P165 L171 L172 M411 M414 M558	P164-I167 HydrophobicContact CB-CB 4.46Å; P164-I167 HydrophobicContact CB-CD1 4.01Å; P164-I167 HydrophobicContact CB-CG1 4.15Å; P164-I167 HydrophobicContact CG-CD1 3.91Å; P164-I167 PolarHBondContact O-N 3.32Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 3.17Å; I167-L171 HydrophobicContact CG2-CB 4.49Å; I167-L171 WeakPolarHBondContact O-CB 3.46Å; I167-L171 PolarHBondContact O-N 2.76Å; I167-L171 VanDerWaalsContact O-N 3.16Å; I167-L172 PolarHBondContact O-N 2.58Å; I167-M411 HydrophobicContact CG2-CB 4.48Å; I167-M411 HydrophobicContact CG2-CG 4.36Å; I167-M414 HydrophobicContact CD1-CB 3.8Å; I167-M414 HydrophobicContact CG1-CB 4.18Å; I167-M414 HydrophobicContact CG2-CB 4.24Å; I167-M558 HydrophobicContact CG1-SD 4.31Å
168	Q	98.8	Very high	98.7	Very high	54 Å²	54	35.9 Å²	35.9	25%	0.252	19%	0.188	S	C	.	.	I	π-helix	trans	-55.5	-57.5	172.4	-174.9	-178	-29	0	0	110.5	M163 P164 P165 L172 E173 T592	M163-Q168 HydrophobicContact CE-CB 3.66Å; M163-Q168 HydrophobicContact CE-CG 4Å; M163-Q168 HydrophobicContact CG-CB 4.34Å; M163-Q168 HydrophobicContact SD-CB 3.96Å; M163-Q168 HydrophobicContact SD-CG 4.06Å; P164-Q168 PolarHBondContact O-N 3.31Å; P164-Q168 VanDerWaalsContact O-N 3.09Å; P165-Q168 PolarHBondContact O-N 2.9Å; Q168-L172 PolarHBondContact O-N 3.27Å; Q168-L172 VanDerWaalsContact O-N 3.16Å; Q168-E173 HydrophobicContact CG-CG 4.25Å; Q168-E173 PolarHBondContact NE2-OE1 2.91Å; Q168-E173 PolarHBondContact O-N 3.14Å; Q168-T592 HydrophobicContact CG-CG2 4.13Å
169	R	98.8	Very high	98.7	Very high	183 Å²	183	35.9 Å²	35.9	69%	0.691	19%	0.189	S	C	*	.	I	π-helix	trans	-67.5	-42.8	-173	-179	176.2	178.5	144.9	5.2	114	P165	P165-R169 WeakPolarHBondContact O-CB 3.41Å; P165-R169 PolarHBondContact O-N 2.72Å
170	N	98.9	Very high	98.7	Very high	41 Å²	41	34.9 Å²	34.9	22%	0.219	19%	0.185	C	C	.	.	I	π-helix	trans	-100.3	-0.1	-168.5	-55.2	-85.5	0	0	0	113.7	P166 N174 M558	P166-N170 VanDerWaalsContact O-CB 3.29Å; P166-N170 WeakPolarHBondContact O-CB 3.4Å; P166-N170 PolarHBondContact O-N 3.42Å; P166-N170 PolarHBondContact O-ND2 3.24Å; N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-ND2 3.23Å; N170-M558 HydrophobicContact CB-CE 3.95Å
171	L	98.8	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-132.5	-56.5	176.5	-168.1	165.2	0	0	0	111.9	I167 W177 L407 N410 M411 M414 M558	I167-L171 HydrophobicContact CG2-CB 4.49Å; I167-L171 WeakPolarHBondContact O-CB 3.46Å; I167-L171 PolarHBondContact O-N 2.76Å; I167-L171 VanDerWaalsContact O-N 3.16Å; L171-W177 HydrophobicContact CB-CG 4.44Å; L171-W177 HydrophobicContact CD1-CD2 4.29Å; L171-W177 HydrophobicContact CD1-CE3 4.39Å; L171-W177 HydrophobicContact CD1-CZ2 4.41Å; L171-W177 HydrophobicContact CG-CB 4.3Å; L171-W177 HydrophobicContact CG-CD2 3.8Å; L171-W177 HydrophobicContact CG-CE3 4.15Å; L171-W177 HydrophobicContact CG-CG 3.88Å; L171-W177 WeakPolarHBondContact O-CB 3.47Å; L171-L407 HydrophobicContact CD2-CD1 3.56Å; L171-L407 HydrophobicContact CD2-CG 4.26Å; L171-N410 HydrophobicContact CD1-CB 4.45Å; L171-M411 HydrophobicContact CD2-CG 3.61Å; L171-M411 HydrophobicContact CD2-SD 4.46Å; L171-M414 HydrophobicContact CD1-CG 3.71Å; L171-M558 HydrophobicContact CB-SD 4.05Å; L171-M558 HydrophobicContact CD1-SD 4.27Å
172	L	98.8	Very high	98.7	Very high	24 Å²	24	33 Å²	33	13%	0.126	17%	0.174	C	C	.	.	I	π-helix	trans	-72.1	-39.7	-178.6	179	61.4	0	0	0	112.8	M163 I167 Q168 N174 V178 L407 M411 I591 T592	M163-L172 HydrophobicContact CE-CB 4.44Å; M163-L172 HydrophobicContact CE-CD2 3.84Å; I167-L172 PolarHBondContact O-N 2.58Å; Q168-L172 PolarHBondContact O-N 3.27Å; Q168-L172 VanDerWaalsContact O-N 3.16Å; L172-N174 VanDerWaalsContact C-N 3.29Å; L172-V178 WeakPolarHBondContact O-CG1 3.48Å; L172-L407 HydrophobicContact CD1-CD2 3.9Å; L172-M411 HydrophobicContact CB-CE 4.26Å; L172-M411 HydrophobicContact CB-SD 4.25Å; L172-M411 HydrophobicContact CD1-SD 4.15Å; L172-M411 HydrophobicContact CD2-CE 3.98Å; L172-I591 HydrophobicContact CD1-CD1 4.2Å; L172-T592 HydrophobicContact CD2-CG2 3.57Å; L172-T592 HydrophobicContact CG-CG2 4.24Å
173	E	98.8	Very high	98.6	Very high	97 Å²	97	30.3 Å²	30.3	45%	0.453	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	16.6	179.9	-62.8	173.3	163.3	0	0	112.2	Q168 T592	Q168-E173 HydrophobicContact CG-CG 4.25Å; Q168-E173 PolarHBondContact NE2-OE1 2.91Å; Q168-E173 PolarHBondContact O-N 3.14Å; E173-T592 HydrophobicContact CG-CG2 4.08Å; E173-T592 WeakPolarHBondContact OE1-CB 3.4Å; E173-T592 WeakPolarHBondContact OE1-CG2 3.44Å; E173-T592 PolarHBondContact OE1-OG1 3.2Å
174	N	98.9	Very high	98.7	Very high	31 Å²	31	32.3 Å²	32.3	17%	0.166	16%	0.162	C	C	.	.			trans	-113.4	113.8	-174.1	-175.4	-6.6	0	0	0	111.9	N170 L172 G176 W177 V178 E562	N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-ND2 3.23Å; L172-N174 VanDerWaalsContact C-N 3.29Å; N174-G176 PolarHBondContact O-N 3.26Å; N174-G176 VanDerWaalsContact O-N 3.13Å; N174-G176 PolarHBondContact OD1-N 2.78Å; N174-W177 PolarHBondContact O-N 3.42Å; N174-V178 PolarHBondContact O-N 2.67Å; N174-E562 VanDerWaalsContact ND2-CD 3.31Å; N174-E562 PolarHBondContact ND2-OE2 3.19Å
175	A	98.6	Very high	98.6	Very high	45 Å²	45	32 Å²	32	37%	0.372	16%	0.16	S	C	.	.	H	α-helix	trans	-55.1	-30.2	177.8	0	0	0	0	0	113.7	W177 T179 V569	A175-W177 PolarHBondContact O-N 2.95Å; A175-T179 HydrophobicContact CB-CG2 4.22Å; A175-T179 WeakPolarHBondContact O-CB 3.13Å; A175-T179 VanDerWaalsContact O-CG2 3.31Å; A175-T179 WeakPolarHBondContact O-CG2 3.44Å; A175-T179 PolarHBondContact O-N 3.06Å; A175-T179 PolarHBondContact O-OG1 3.16Å; A175-V569 HydrophobicContact CB-CG1 3.48Å; A175-V569 VanDerWaalsContact CB-CG1 3.48Å
176	G	98.8	Very high	98.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-70.6	-8.5	176	0	0	0	0	0	115.1	N174 Q180	N174-G176 PolarHBondContact O-N 3.26Å; N174-G176 VanDerWaalsContact O-N 3.13Å; N174-G176 PolarHBondContact OD1-N 2.78Å; G176-Q180 PolarHBondContact O-NE2 2.76Å; G176-Q180 PolarHBondContact O-OE1 2.79Å
177	W	98.9	Very high	98.6	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-113.9	-30.3	174.8	-86.3	97.6	0	0	0	114	L171 N174 A175 Q180 R192 L407 N410 M414 M558 L561	L171-W177 HydrophobicContact CB-CG 4.44Å; L171-W177 HydrophobicContact CD1-CD2 4.29Å; L171-W177 HydrophobicContact CD1-CE3 4.39Å; L171-W177 HydrophobicContact CD1-CZ2 4.41Å; L171-W177 HydrophobicContact CG-CB 4.3Å; L171-W177 HydrophobicContact CG-CD2 3.8Å; L171-W177 HydrophobicContact CG-CE3 4.15Å; L171-W177 HydrophobicContact CG-CG 3.88Å; L171-W177 WeakPolarHBondContact O-CB 3.47Å; N174-W177 PolarHBondContact O-N 3.42Å; A175-W177 PolarHBondContact O-N 2.95Å; W177-Q180 PolarHBondContact O-OE1 3.32Å; W177-R192 HydrophobicContact CZ3-CB 4.33Å; W177-L407 HydrophobicContact CB-CD1 4.47Å; W177-N410 HydrophobicContact CZ3-CB 4.3Å; W177-M414 HydrophobicContact CH2-CE 3.98Å; W177-M414 HydrophobicContact CZ2-CE 4.09Å; W177-M558 PolarHBondContact NE1-O 3.47Å; W177-L561 HydrophobicContact CH2-CB 3.93Å; W177-L561 HydrophobicContact CH2-CD1 4.11Å; W177-L561 HydrophobicContact CZ2-CB 3.76Å; W177-L561 HydrophobicContact CZ2-CD1 4.48Å
178	V	98.6	Very high	98.6	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-94.6	-22	-172.5	-53.5	0	0	0	0	114.6	L172 N174 L407 L588 P779 H780 G781	L172-V178 WeakPolarHBondContact O-CG1 3.48Å; N174-V178 PolarHBondContact O-N 2.67Å; V178-L407 HydrophobicContact CB-CD2 4.49Å; V178-L407 HydrophobicContact CG1-CD1 3.93Å; V178-L407 HydrophobicContact CG1-CD2 3.77Å; V178-L588 HydrophobicContact CG2-CD1 4.45Å; V178-P779 HydrophobicContact CB-CB 3.9Å; V178-P779 HydrophobicContact CB-CG 4.43Å; V178-P779 HydrophobicContact CG2-CB 4.1Å; V178-P779 WeakPolarHBondContact O-CB 3.38Å; V178-H780 PolarHBondContact O-N 3.48Å; V178-G781 PolarHBondContact O-N 3.41Å
179	T	98.8	Very high	98.6	Very high	10 Å²	10	25.1 Å²	25.1	6%	0.061	12%	0.119	C	C	.	.	S	Bend	trans	-88.2	-25.5	-170.9	60.2	0	0	0	0	114.4	A175 S567 L568 M580	A175-T179 HydrophobicContact CB-CG2 4.22Å; A175-T179 WeakPolarHBondContact O-CB 3.13Å; A175-T179 VanDerWaalsContact O-CG2 3.31Å; A175-T179 WeakPolarHBondContact O-CG2 3.44Å; A175-T179 PolarHBondContact O-N 3.06Å; A175-T179 PolarHBondContact O-OG1 3.16Å; T179-S567 WeakPolarHBondContact OG1-CB 3.38Å; T179-L568 HydrophobicContact CG2-CB 4.28Å; T179-L568 PolarHBondContact OG1-N 3.09Å; T179-M580 WeakPolarHBondContact O-CE 3.47Å
180	Q	98.3	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.			trans	-69.7	157.3	174.1	60.3	-91.7	53.5	0	0	112	G176 W177 I566 H780 G781 G782	G176-Q180 PolarHBondContact O-NE2 2.76Å; G176-Q180 PolarHBondContact O-OE1 2.79Å; W177-Q180 PolarHBondContact O-OE1 3.32Å; Q180-I566 WeakPolarHBondContact CB-O 3.24Å; Q180-H780 CarbonylContact O-C 3.17Å; Q180-H780 WeakPolarHBondContact O-CB 3.28Å; Q180-G781 PolarHBondContact O-N 3.2Å; Q180-G782 WeakPolarHBondContact O-CA 3Å; Q180-G782 PolarHBondContact O-N 3.22Å
181	Y	98.6	Very high	98.6	Very high	8 Å²	8	14.7 Å²	14.7	3%	0.031	8%	0.077	C	C	.	.			trans	-108.6	-166.8	175.1	-162.8	-147.8	0	0	0	112.4	Y184 R192 T403 L575 C578 M580 H780 G782	Y181-Y184 HydrophobicContact CD1-CE2 4.42Å; Y181-R192 VanDerWaalsContact O-CZ 3.3Å; Y181-R192 PolarHBondContact O-NE 2.75Å; Y181-R192 PolarHBondContact O-NH2 3.31Å; Y181-T403 HydrophobicContact CE2-CG2 4.39Å; Y181-T403 PolarHBondContact OH-OG1 3.35Å; Y181-L575 HydrophobicContact CD1-CD1 4.43Å; Y181-C578 HydrophobicContact CD1-CB 4.16Å; Y181-C578 HydrophobicContact CE1-CB 4.2Å; Y181-M580 HydrophobicContact CD1-SD 4.49Å; Y181-M580 HydrophobicContact CG-SD 4.42Å; Y181-H780 HydrophobicContact CD2-CB 3.7Å; Y181-H780 AromaticContact CD2-CD2 3.86Å; Y181-H780 HydrophobicContact CG-CB 4.06Å; Y181-H780 AromaticContact CG-CD2 3.87Å; Y181-G782 CarbonylContact O-C 3.46Å; Y181-G782 WeakPolarHBondContact O-CA 3.35Å
182	T	98.3	Very high	98.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.078	C	C	.	.	S	Bend	trans	-42.1	134.2	178.8	-55.7	0	0	0	0	111.9	Y184 L383 G782	T182-Y184 HydrophobicContact CG2-CD1 3.93Å; T182-Y184 HydrophobicContact CG2-CD2 4.35Å; T182-Y184 HydrophobicContact CG2-CE1 3.53Å; T182-Y184 HydrophobicContact CG2-CE2 4.01Å; T182-Y184 HydrophobicContact CG2-CG 4.32Å; T182-Y184 WeakPolarHBondContact O-CD2 3.45Å; T182-Y184 PolarHBondContact O-N 2.9Å; T182-L383 HydrophobicContact CG2-CD1 4.01Å; T182-G782 WeakPolarHBondContact CA-O 3.35Å
183	P	98.3	Very high	98.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.013	7%	0.072	C	C	.	.			trans	-75.2	65.3	-174.5	31.4	-37.6	0	0	0	113.2	Q185 R192 L193 L383	P183-Q185 VanDerWaalsContact C-N 3.29Å; P183-Q185 PolarHBondContact O-N 2.91Å; P183-R192 HydrophobicContact CB-CG 4.28Å; P183-L193 HydrophobicContact CB-CD1 4.1Å; P183-L193 HydrophobicContact CB-CD2 3.93Å; P183-L193 HydrophobicContact CB-CG 3.84Å; P183-L193 HydrophobicContact CG-CD2 3.56Å; P183-L193 HydrophobicContact CG-CG 3.99Å; P183-L383 HydrophobicContact CG-CD1 4.13Å; P183-L383 HydrophobicContact CG-CD2 4.1Å; P183-L383 HydrophobicContact CG-CG 4.13Å
184	Y	98.1	Very high	98.6	Very high	67 Å²	67	9.2 Å²	9.2	26%	0.263	5%	0.051	S	C	.	.	S	Bend	trans	-71.9	-19.5	176.5	-61.4	-57.2	0	0	0	113.5	Y181 T182	Y181-Y184 HydrophobicContact CD1-CE2 4.42Å; T182-Y184 HydrophobicContact CG2-CD1 3.93Å; T182-Y184 HydrophobicContact CG2-CD2 4.35Å; T182-Y184 HydrophobicContact CG2-CE1 3.53Å; T182-Y184 HydrophobicContact CG2-CE2 4.01Å; T182-Y184 HydrophobicContact CG2-CG 4.32Å; T182-Y184 WeakPolarHBondContact O-CD2 3.45Å; T182-Y184 PolarHBondContact O-N 2.9Å
185	Q	98.4	Very high	98.6	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	4%	0.043	C	C	.	.	S	Bend	trans	-117.4	88.3	175.1	-62	-60.1	-23.1	0	0	109.1	P183 E187 V188 S189 A912	P183-Q185 VanDerWaalsContact C-N 3.29Å; P183-Q185 PolarHBondContact O-N 2.91Å; Q185-E187 VanDerWaalsContact C-N 3.26Å; Q185-E187 PolarHBondContact O-N 3.35Å; Q185-V188 HydrophobicContact CB-CG2 3.8Å; Q185-V188 PolarHBondContact O-N 3.49Å; Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.27Å; Q185-S189 PolarHBondContact O-N 3.49Å; Q185-S189 PolarHBondContact O-OG 2.95Å; Q185-A912 HydrophobicContact CG-CB 3.96Å
186	P	98.4	Very high	98.6	Very high	8 Å²	8	5.6 Å²	5.6	5%	0.052	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-60	-32.4	-167.6	-27.1	36.6	0	0	0	114.4	V188 S189 Q190 L193 R382 I1009	P186-V188 PolarHBondContact O-N 3.01Å; P186-S189 CarbonylContact O-C 3.57Å; P186-S189 PolarHBondContact O-N 3.16Å; P186-Q190 WeakPolarHBondContact O-CG 3.32Å; P186-Q190 PolarHBondContact O-N 2.91Å; P186-Q190 PolarHBondContact O-NE2 3.49Å; P186-L193 HydrophobicContact CB-CD1 3.95Å; P186-R382 HydrophobicContact CB-CB 4.46Å; P186-R382 HydrophobicContact CG-CB 4.14Å; P186-I1009 HydrophobicContact CB-CD1 4.35Å; P186-I1009 HydrophobicContact CB-CG1 4.37Å; P186-I1009 HydrophobicContact CG-CG1 4.36Å; P186-I1009 HydrophobicContact CG-CG2 4.44Å
187	E	98.7	Very high	98.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-69.9	-24.3	-170.5	-51.5	88	167.6	0	0	113.7	Q185 K903 Q906 P969 T1005 I1006 S1007 I1009	Q185-E187 VanDerWaalsContact C-N 3.26Å; Q185-E187 PolarHBondContact O-N 3.35Å; E187-K903 WeakPolarHBondContact OE1-CD 3.24Å; E187-K903 WeakPolarHBondContact OE1-CE 3.21Å; E187-K903 IonicContact OE1-NZ 3.82Å; E187-K903 PolarHBondContact OE1-NZ 3.26Å; E187-K903 IonicContact OE2-NZ 2.78Å; E187-K903 PolarHBondContact OE2-NZ 3.03Å; E187-Q906 PolarHBondContact OE2-NE2 3.01Å; E187-Q906 VanDerWaalsContact OE2-NE2 3.12Å; E187-P969 HydrophobicContact CB-CG 3.75Å; E187-P969 HydrophobicContact CG-CG 3.7Å; E187-T1005 PolarHBondContact O-N 3.3Å; E187-T1005 PolarHBondContact O-OG1 2.91Å; E187-T1005 VanDerWaalsContact O-OG1 3.1Å; E187-I1006 HydrophobicContact CB-CD1 4.24Å; E187-I1006 HydrophobicContact CB-CG1 3.73Å; E187-I1006 HydrophobicContact CG-CD1 3.97Å; E187-I1006 HydrophobicContact CG-CG1 3.83Å; E187-S1007 VanDerWaalsContact CG-O 3.31Å; E187-S1007 WeakPolarHBondContact CG-O 3.44Å; E187-I1009 WeakPolarHBondContact OE1-CG2 3.32Å; E187-I1009 PolarHBondContact OE1-N 3.41Å
188	V	98.7	Very high	98.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-111.9	24.7	173.3	-62.1	0	0	0	0	111.5	Q185 P186 K564 D565 I566 Q906 F1002 P1004	Q185-V188 HydrophobicContact CB-CG2 3.8Å; Q185-V188 PolarHBondContact O-N 3.49Å; P186-V188 PolarHBondContact O-N 3.01Å; V188-K564 CarbonylContact C-O 3.57Å; V188-K564 VanDerWaalsContact C-O 3.29Å; V188-D565 WeakPolarHBondContact O-CA 3.27Å; V188-I566 HydrophobicContact CB-CB 4.13Å; V188-I566 HydrophobicContact CB-CG2 3.74Å; V188-I566 HydrophobicContact CG2-CG2 3.58Å; V188-I566 PolarHBondContact O-N 2.78Å; V188-Q906 HydrophobicContact CG1-CB 4.1Å; V188-Q906 HydrophobicContact CG1-CG 4.09Å; V188-Q906 HydrophobicContact CG2-CG 4.43Å; V188-F1002 HydrophobicContact CB-CE1 3.96Å; V188-F1002 HydrophobicContact CG1-CD1 4.23Å; V188-F1002 HydrophobicContact CG1-CE1 3.81Å; V188-P1004 HydrophobicContact CG1-CB 4.33Å; V188-P1004 HydrophobicContact CG1-CG 4.29Å
189	S	98.8	Very high	98.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.023	C	C	.	.	B	Isolated β-bridge	trans	-143.2	16.5	-178.2	-54.2	0	0	0	0	114.2	Q185 P186 G191 R192 L193 D565	Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.27Å; Q185-S189 PolarHBondContact O-N 3.49Å; Q185-S189 PolarHBondContact O-OG 2.95Å; P186-S189 CarbonylContact O-C 3.57Å; P186-S189 PolarHBondContact O-N 3.16Å; S189-G191 PolarHBondContact O-N 3.36Å; S189-R192 PolarHBondContact OG-NH1 3.28Å; S189-R192 PolarHBondContact OG-NH2 3.13Å; S189-R192 VanDerWaalsContact OG-NH2 3.08Å; S189-L193 WeakPolarHBondContact O-CB 3.48Å; S189-L193 WeakPolarHBondContact O-CD1 3.47Å; S189-L193 VanDerWaalsContact O-CG 3.29Å; S189-L193 WeakPolarHBondContact O-CG 3.14Å; S189-L193 PolarHBondContact O-N 3.48Å; S189-D565 VanDerWaalsContact CA-OD1 3.25Å; S189-D565 WeakPolarHBondContact CA-OD1 3.46Å
190	Q	98.8	Very high	98.7	Very high	5 Å²	5	4.8 Å²	4.8	2%	0.023	2%	0.02	C	C	.	.	H	α-helix	trans	-66.6	-20.9	-173.6	-72.9	-59.1	-75.8	0	0	113.6	P186 E194 Y381 K564 D565 T1005 I1006	P186-Q190 WeakPolarHBondContact O-CG 3.32Å; P186-Q190 PolarHBondContact O-N 2.91Å; P186-Q190 PolarHBondContact O-NE2 3.49Å; Q190-E194 VanDerWaalsContact O-CB 3.31Å; Q190-E194 WeakPolarHBondContact O-CB 3.24Å; Q190-E194 PolarHBondContact O-N 3.37Å; Q190-Y381 PolarHBondContact NE2-O 3.26Å; Q190-K564 HydrophobicContact CB-CB 4.26Å; Q190-K564 HydrophobicContact CB-CD 3.8Å; Q190-D565 PolarHBondContact N-OD1 2.98Å; Q190-T1005 WeakPolarHBondContact CG-OG1 3.31Å; Q190-I1006 HydrophobicContact CG-CD1 3.95Å; Q190-I1006 HydrophobicContact CG-CG1 4.09Å; Q190-I1006 HydrophobicContact CG-CG2 4.1Å
191	G	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-69.9	-59.2	179.3	0	0	0	0	0	112.1	S189 L193 E194 S195 L561 D565	S189-G191 PolarHBondContact O-N 3.36Å; G191-L193 PolarHBondContact O-N 2.64Å; G191-E194 PolarHBondContact O-N 3.48Å; G191-S195 PolarHBondContact O-N 2.91Å; G191-L561 WeakPolarHBondContact CA-O 3.35Å; G191-D565 WeakPolarHBondContact CA-OD1 3.48Å; G191-D565 PolarHBondContact N-OD1 3.34Å
192	R	98.8	Very high	98.7	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.008	2%	0.021	C	C	.	.	H	α-helix	trans	-66.9	-25.4	176.2	70.8	-166.4	175.9	-76.5	6.2	113.3	W177 Y181 P183 S189 L196 D565	W177-R192 HydrophobicContact CZ3-CB 4.33Å; Y181-R192 VanDerWaalsContact O-CZ 3.3Å; Y181-R192 PolarHBondContact O-NE 2.75Å; Y181-R192 PolarHBondContact O-NH2 3.31Å; P183-R192 HydrophobicContact CB-CG 4.28Å; S189-R192 PolarHBondContact OG-NH1 3.28Å; S189-R192 PolarHBondContact OG-NH2 3.13Å; S189-R192 VanDerWaalsContact OG-NH2 3.08Å; R192-L196 WeakPolarHBondContact O-CB 3.45Å; R192-L196 VanDerWaalsContact O-CG 3.23Å; R192-L196 WeakPolarHBondContact O-CG 3.26Å; R192-L196 PolarHBondContact O-N 3.36Å; R192-D565 VanDerWaalsContact CB-OD2 3.23Å; R192-D565 WeakPolarHBondContact CB-OD2 3.49Å; R192-D565 WeakPolarHBondContact CD-OD2 3.35Å; R192-D565 WeakPolarHBondContact CG-OD2 3.5Å; R192-D565 IonicContact CZ-OD2 3.5Å; R192-D565 PolarHBondContact N-OD1 2.88Å; R192-D565 PolarHBondContact N-OD2 2.78Å; R192-D565 VanDerWaalsContact N-OD2 3.09Å; R192-D565 IonicContact NE-OD2 3.22Å; R192-D565 IonicContact NH1-OD1 2.79Å; R192-D565 IonicContact NH1-OD2 3.65Å; R192-D565 PolarHBondContact NH1-OD2 2.74Å
193	L	98.9	Very high	98.7	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-68.8	-44.9	171.1	-72.5	168.1	0	0	0	112.4	P183 P186 S189 G191 S195 L196 L197 V369 Y381 L383	P183-L193 HydrophobicContact CB-CD1 4.1Å; P183-L193 HydrophobicContact CB-CD2 3.93Å; P183-L193 HydrophobicContact CB-CG 3.84Å; P183-L193 HydrophobicContact CG-CD2 3.56Å; P183-L193 HydrophobicContact CG-CG 3.99Å; P186-L193 HydrophobicContact CB-CD1 3.95Å; S189-L193 WeakPolarHBondContact O-CB 3.48Å; S189-L193 WeakPolarHBondContact O-CD1 3.47Å; S189-L193 VanDerWaalsContact O-CG 3.29Å; S189-L193 WeakPolarHBondContact O-CG 3.14Å; S189-L193 PolarHBondContact O-N 3.48Å; G191-L193 PolarHBondContact O-N 2.64Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 3.18Å; L193-L196 PolarHBondContact O-N 3.16Å; L193-L197 WeakPolarHBondContact O-CB 3.11Å; L193-L197 PolarHBondContact O-N 3.21Å; L193-V369 HydrophobicContact CD2-CG1 4.21Å; L193-V369 HydrophobicContact CD2-CG2 3.89Å; L193-Y381 HydrophobicContact CB-CD2 4.48Å; L193-L383 HydrophobicContact CD2-CD2 4.07Å; L193-L383 HydrophobicContact CD2-CG 4.35Å
194	E	98.9	Very high	98.8	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.019	2%	0.022	C	C	.	.	H	α-helix	trans	-59.1	-44.7	173.4	-171.8	-178.4	142.8	0	0	110.9	Q190 G191 L196 L197 N198 Y381 Y557 R560 L561 K564	Q190-E194 VanDerWaalsContact O-CB 3.31Å; Q190-E194 WeakPolarHBondContact O-CB 3.24Å; Q190-E194 PolarHBondContact O-N 3.37Å; G191-E194 PolarHBondContact O-N 3.48Å; E194-L196 PolarHBondContact O-N 3.19Å; E194-L197 WeakPolarHBondContact O-CB 3.39Å; E194-L197 PolarHBondContact O-N 3.5Å; E194-N198 VanDerWaalsContact O-CG 3.25Å; E194-N198 PolarHBondContact O-N 3.3Å; E194-N198 PolarHBondContact O-ND2 2.94Å; E194-N198 PolarHBondContact O-OD1 3.47Å; E194-Y381 HydrophobicContact CB-CD2 3.97Å; E194-Y381 HydrophobicContact CB-CE2 3.66Å; E194-Y381 HydrophobicContact CG-CE2 3.85Å; E194-Y557 VanDerWaalsContact OE1-CE2 3.3Å; E194-Y557 WeakPolarHBondContact OE1-CE2 3.27Å; E194-Y557 PolarHBondContact OE1-OH 2.91Å; E194-R560 IonicContact OE1-NH2 2.69Å; E194-L561 HydrophobicContact CB-CD1 4.45Å; E194-L561 HydrophobicContact CB-CD2 4.26Å; E194-L561 VanDerWaalsContact CD-CD2 3.42Å; E194-L561 HydrophobicContact CG-CD2 4.28Å; E194-L561 VanDerWaalsContact OE2-CD2 3.24Å; E194-L561 WeakPolarHBondContact OE2-CD2 3.43Å; E194-K564 IonicContact OE2-NZ 3.64Å; E194-K564 PolarHBondContact OE2-NZ 2.83Å
195	S	98.9	Very high	98.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.8	-36.8	178.9	-174.9	0	0	0	0	113.5	G191 L193 N198 Y199 N410	G191-S195 PolarHBondContact O-N 2.91Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 3.18Å; S195-N198 WeakPolarHBondContact O-CB 3.28Å; S195-N198 PolarHBondContact O-N 3.29Å; S195-Y199 PolarHBondContact O-N 2.88Å; S195-N410 VanDerWaalsContact C-OD1 3.31Å; S195-N410 WeakPolarHBondContact CB-OD1 3.26Å; S195-N410 WeakPolarHBondContact OG-CB 3.4Å; S195-N410 PolarHBondContact OG-OD1 3.11Å
196	L	98.9	Very high	98.8	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-73.9	-27.9	173.6	-72.6	171.5	0	0	0	112.6	R192 L193 E194 Y199 Q200 A214 V369 A406 A409 N410	R192-L196 WeakPolarHBondContact O-CB 3.45Å; R192-L196 VanDerWaalsContact O-CG 3.23Å; R192-L196 WeakPolarHBondContact O-CG 3.26Å; R192-L196 PolarHBondContact O-N 3.36Å; L193-L196 PolarHBondContact O-N 3.16Å; E194-L196 PolarHBondContact O-N 3.19Å; L196-Y199 WeakPolarHBondContact O-CB 3.41Å; L196-Y199 PolarHBondContact O-N 3.33Å; L196-Q200 WeakPolarHBondContact O-CG 3.37Å; L196-Q200 PolarHBondContact O-N 3.01Å; L196-A214 HydrophobicContact CD1-CB 4.43Å; L196-A214 HydrophobicContact CD2-CB 4.38Å; L196-V369 HydrophobicContact CB-CG2 3.63Å; L196-A406 HydrophobicContact CD1-CB 4.45Å; L196-A406 HydrophobicContact CD2-CB 4.42Å; L196-A409 HydrophobicContact CD2-CB 3.82Å; L196-N410 WeakPolarHBondContact CG-OD1 3.48Å; L196-N410 PolarHBondContact N-OD1 2.93Å
197	L	98.9	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-69.8	-37.8	170.1	-169.5	65.3	0	0	0	111.5	L193 E194 Y199 Q200 T201 V369 V371 Y381 C1020	L193-L197 WeakPolarHBondContact O-CB 3.11Å; L193-L197 PolarHBondContact O-N 3.21Å; E194-L197 WeakPolarHBondContact O-CB 3.39Å; E194-L197 PolarHBondContact O-N 3.5Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-Q200 PolarHBondContact O-N 3.23Å; L197-T201 WeakPolarHBondContact O-CB 3.39Å; L197-T201 PolarHBondContact O-N 2.77Å; L197-T201 PolarHBondContact O-OG1 2.85Å; L197-V369 HydrophobicContact CB-CB 4.49Å; L197-V369 HydrophobicContact CB-CG1 4.11Å; L197-V369 HydrophobicContact CD1-CB 4.39Å; L197-V369 HydrophobicContact CD1-CG1 4.22Å; L197-V371 HydrophobicContact CD2-CG2 4Å; L197-Y381 HydrophobicContact CD2-CD1 3.66Å; L197-Y381 HydrophobicContact CD2-CE1 3.53Å; L197-Y381 HydrophobicContact CD2-CG 4.47Å; L197-C1020 WeakPolarHBondContact CD1-O 3.22Å
198	N	98.9	Very high	98.8	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.1	-43.9	169.8	-63.2	-24.6	0	0	0	110.9	E194 S195 T201 M202 A413 L417 F545 Y557 C1022	E194-N198 VanDerWaalsContact O-CG 3.25Å; E194-N198 PolarHBondContact O-N 3.3Å; E194-N198 PolarHBondContact O-ND2 2.94Å; E194-N198 PolarHBondContact O-OD1 3.47Å; S195-N198 WeakPolarHBondContact O-CB 3.28Å; S195-N198 PolarHBondContact O-N 3.29Å; N198-T201 PolarHBondContact O-N 2.77Å; N198-M202 VanDerWaalsContact O-CB 3.31Å; N198-M202 WeakPolarHBondContact O-CB 3.33Å; N198-M202 PolarHBondContact O-N 3.07Å; N198-A413 HydrophobicContact CB-CB 4.19Å; N198-L417 HydrophobicContact CB-CD1 4.01Å; N198-F545 HydrophobicContact CB-CZ 4.45Å; N198-F545 WeakPolarHBondContact O-CZ 3.38Å; N198-Y557 PolarHBondContact ND2-OH 2.83Å; N198-C1022 PolarHBondContact OD1-SG 2.97Å; N198-C1022 VanDerWaalsContact OD1-SG 3.41Å
199	Y	98.9	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.9	-51	174.6	-178.2	-100.2	0	0	0	111.6	S195 L196 L197 T201 M202 I203 S337 A351 A409 A412	S195-Y199 PolarHBondContact O-N 2.88Å; L196-Y199 WeakPolarHBondContact O-CB 3.41Å; L196-Y199 PolarHBondContact O-N 3.33Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-T201 VanDerWaalsContact C-N 3.33Å; Y199-T201 PolarHBondContact O-N 2.88Å; Y199-M202 HydrophobicContact CD2-CE 3.53Å; Y199-M202 HydrophobicContact CE2-CE 3.72Å; Y199-M202 HydrophobicContact CG-CE 4.39Å; Y199-M202 WeakPolarHBondContact O-CB 3.32Å; Y199-M202 PolarHBondContact O-N 2.93Å; Y199-I203 HydrophobicContact CD1-CG1 4.26Å; Y199-I203 HydrophobicContact CE1-CG1 3.98Å; Y199-I203 HydrophobicContact CE2-CD1 4.38Å; Y199-I203 HydrophobicContact CE2-CG1 4.41Å; Y199-I203 WeakPolarHBondContact O-CG1 3.29Å; Y199-I203 PolarHBondContact O-N 3.04Å; Y199-S337 PolarHBondContact OH-OG 2.75Å; Y199-A351 HydrophobicContact CE2-CB 4.42Å; Y199-A409 HydrophobicContact CD1-CB 4Å; Y199-A409 HydrophobicContact CD2-CB 3.74Å; Y199-A409 WeakPolarHBondContact CD2-O 3.29Å; Y199-A409 HydrophobicContact CE1-CB 4.08Å; Y199-A409 HydrophobicContact CE2-CB 3.82Å; Y199-A409 HydrophobicContact CG-CB 3.81Å; Y199-A412 HydrophobicContact CD2-CB 4.35Å; Y199-A412 HydrophobicContact CE2-CB 4.12Å
200	Q	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.1	-46.3	178	-75.6	173.9	-164.1	0	0	112	L196 L197 M202 I203 C204 A212 V369 C1020	L196-Q200 WeakPolarHBondContact O-CG 3.37Å; L196-Q200 PolarHBondContact O-N 3.01Å; L197-Q200 PolarHBondContact O-N 3.23Å; Q200-M202 PolarHBondContact O-N 2.96Å; Q200-I203 PolarHBondContact O-N 3.02Å; Q200-C204 PolarHBondContact O-N 2.8Å; Q200-C204 PolarHBondContact O-SG 2.8Å; Q200-A212 HydrophobicContact CB-CB 4.33Å; Q200-A212 HydrophobicContact CG-CB 4.41Å; Q200-A212 WeakPolarHBondContact CG-O 3.4Å; Q200-V369 PolarHBondContact NE2-O 3.28Å; Q200-C1020 WeakPolarHBondContact CB-O 3.43Å; Q200-C1020 PolarHBondContact NE2-O 2.92Å
201	T	98.9	Very high	98.7	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-62.3	-43	178.5	-50.5	0	0	0	0	112	L197 N198 Y199 I203 C204 D205 F545 T1021 C1022	L197-T201 WeakPolarHBondContact O-CB 3.39Å; L197-T201 PolarHBondContact O-N 2.77Å; L197-T201 PolarHBondContact O-OG1 2.85Å; N198-T201 PolarHBondContact O-N 2.77Å; Y199-T201 VanDerWaalsContact C-N 3.33Å; Y199-T201 PolarHBondContact O-N 2.88Å; T201-I203 VanDerWaalsContact C-N 3.33Å; T201-I203 PolarHBondContact O-N 2.8Å; T201-C204 PolarHBondContact O-N 2.88Å; T201-D205 WeakPolarHBondContact O-CB 3.45Å; T201-D205 PolarHBondContact O-N 3.14Å; T201-F545 HydrophobicContact CG2-CE2 3.96Å; T201-F545 HydrophobicContact CG2-CZ 4.39Å; T201-T1021 VanDerWaalsContact OG1-CA 3.27Å; T201-T1021 WeakPolarHBondContact OG1-CA 3.1Å; T201-C1022 HydrophobicContact CG2-CB 4.22Å; T201-C1022 PolarHBondContact OG1-N 3.33Å; T201-C1022 PolarHBondContact OG1-SG 3.18Å
202	M	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.8	-43.9	174.8	174.1	-163.3	78	0	0	111.7	N198 Y199 Q200 I206 L316 F340 A412 A416 L540 F545	N198-M202 VanDerWaalsContact O-CB 3.31Å; N198-M202 WeakPolarHBondContact O-CB 3.33Å; N198-M202 PolarHBondContact O-N 3.07Å; Y199-M202 HydrophobicContact CD2-CE 3.53Å; Y199-M202 HydrophobicContact CE2-CE 3.72Å; Y199-M202 HydrophobicContact CG-CE 4.39Å; Y199-M202 WeakPolarHBondContact O-CB 3.32Å; Y199-M202 PolarHBondContact O-N 2.93Å; Q200-M202 PolarHBondContact O-N 2.96Å; M202-I206 HydrophobicContact CG-CD1 3.81Å; M202-I206 VanDerWaalsContact O-CB 3.28Å; M202-I206 WeakPolarHBondContact O-CB 3.24Å; M202-I206 VanDerWaalsContact O-CG1 3.23Å; M202-I206 WeakPolarHBondContact O-CG1 3.37Å; M202-I206 PolarHBondContact O-N 3.09Å; M202-L316 HydrophobicContact CE-CD1 4.26Å; M202-F340 HydrophobicContact CE-CD2 4.33Å; M202-F340 HydrophobicContact CG-CE2 4.48Å; M202-F340 HydrophobicContact SD-CD2 3.81Å; M202-F340 HydrophobicContact SD-CE2 4Å; M202-A412 HydrophobicContact CE-CB 4.39Å; M202-A416 HydrophobicContact CG-CB 3.91Å; M202-A416 HydrophobicContact SD-CB 3.4Å; M202-A416 WeakPolarHBondContact SD-CB 3.31Å; M202-L540 HydrophobicContact CB-CD2 3.98Å; M202-L540 HydrophobicContact CG-CD2 4.08Å; M202-F545 HydrophobicContact CB-CE1 4.12Å; M202-F545 HydrophobicContact CB-CZ 4.11Å
203	I	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.2	-45.2	176.9	-61.5	-54	0	0	0	111.2	Y199 Q200 T201 I206 T207 A212 L316 F353 A355	Y199-I203 HydrophobicContact CD1-CG1 4.26Å; Y199-I203 HydrophobicContact CE1-CG1 3.98Å; Y199-I203 HydrophobicContact CE2-CD1 4.38Å; Y199-I203 HydrophobicContact CE2-CG1 4.41Å; Y199-I203 WeakPolarHBondContact O-CG1 3.29Å; Y199-I203 PolarHBondContact O-N 3.04Å; Q200-I203 PolarHBondContact O-N 3.02Å; T201-I203 VanDerWaalsContact C-N 3.33Å; T201-I203 PolarHBondContact O-N 2.8Å; I203-I206 PolarHBondContact O-N 3.44Å; I203-T207 HydrophobicContact CG2-CG2 4.15Å; I203-T207 WeakPolarHBondContact O-CB 3.4Å; I203-T207 WeakPolarHBondContact O-CG2 3.41Å; I203-T207 PolarHBondContact O-N 3.11Å; I203-T207 PolarHBondContact O-OG1 2.86Å; I203-A212 HydrophobicContact CB-CB 3.77Å; I203-A212 HydrophobicContact CG2-CB 3.67Å; I203-L316 HydrophobicContact CD1-CD1 3.55Å; I203-L316 HydrophobicContact CD1-CD2 3.8Å; I203-L316 HydrophobicContact CD1-CG 4.33Å; I203-F353 HydrophobicContact CB-CB 4.47Å; I203-F353 HydrophobicContact CD1-CB 3.4Å; I203-F353 VanDerWaalsContact CD1-CB 3.4Å; I203-F353 HydrophobicContact CD1-CD1 4.11Å; I203-F353 HydrophobicContact CD1-CD2 4.28Å; I203-F353 HydrophobicContact CD1-CG 3.71Å; I203-F353 HydrophobicContact CG1-CB 3.68Å; I203-F353 HydrophobicContact CG1-CG 4.39Å; I203-F353 HydrophobicContact CG2-CB 3.91Å; I203-F353 HydrophobicContact CG2-CD2 3.8Å; I203-F353 HydrophobicContact CG2-CG 4.17Å; I203-A355 HydrophobicContact CG2-CB 3.85Å
204	C	98.9	Very high	98.7	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.041	6%	0.056	C	C	.	.	H	α-helix	trans	-56.9	-55.3	177.5	-69.6	0	0	0	0	111.5	Q200 T201 I206 T207 G208 M209 P210 A212 T1021	Q200-C204 PolarHBondContact O-N 2.8Å; Q200-C204 PolarHBondContact O-SG 2.8Å; T201-C204 PolarHBondContact O-N 2.88Å; C204-I206 PolarHBondContact O-N 3.46Å; C204-T207 PolarHBondContact O-N 2.83Å; C204-G208 WeakPolarHBondContact O-CA 3.43Å; C204-G208 PolarHBondContact O-N 2.92Å; C204-M209 CarbonylContact C-O 3.57Å; C204-M209 WeakPolarHBondContact CA-O 3.38Å; C204-M209 WeakPolarHBondContact CB-O 3.43Å; C204-M209 PolarHBondContact O-N 3.28Å; C204-M209 PolarHBondContact SG-O 3.33Å; C204-P210 VanDerWaalsContact SG-C 3.58Å; C204-P210 PolarHBondContact SG-O 2.91Å; C204-A212 PolarHBondContact SG-N 3.43Å; C204-A212 VanDerWaalsContact SG-N 3.38Å; C204-T1021 HydrophobicContact CB-CG2 4.07Å
205	D	98.8	Very high	98.7	Very high	43 Å²	43	7.9 Å²	7.9	23%	0.23	6%	0.055	C	C	.	.	H	α-helix	trans	-59.3	-44	-179.9	-84.2	18.2	0	0	0	112.4	T201 R535 F539 L540	T201-D205 WeakPolarHBondContact O-CB 3.45Å; T201-D205 PolarHBondContact O-N 3.14Å; D205-R535 PolarHBondContact O-NH2 3.1Å; D205-F539 HydrophobicContact CB-CB 4.04Å; D205-L540 HydrophobicContact CB-CD2 4.34Å; D205-L540 VanDerWaalsContact OD2-CA 3.24Å; D205-L540 WeakPolarHBondContact OD2-CA 3.46Å; D205-L540 PolarHBondContact OD2-N 2.97Å
206	I	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-73.5	-38.7	-177.6	-67.8	175	0	0	0	111.4	M202 I203 C204 L316 L319 P324 F340 L424 R535 F539	M202-I206 HydrophobicContact CG-CD1 3.81Å; M202-I206 VanDerWaalsContact O-CB 3.28Å; M202-I206 WeakPolarHBondContact O-CB 3.24Å; M202-I206 VanDerWaalsContact O-CG1 3.23Å; M202-I206 WeakPolarHBondContact O-CG1 3.37Å; M202-I206 PolarHBondContact O-N 3.09Å; I203-I206 PolarHBondContact O-N 3.44Å; C204-I206 PolarHBondContact O-N 3.46Å; I206-L316 HydrophobicContact CB-CD2 4.39Å; I206-L316 HydrophobicContact CG2-CB 4.27Å; I206-L316 HydrophobicContact CG2-CD2 3.83Å; I206-L319 HydrophobicContact CG2-CB 3.6Å; I206-L319 HydrophobicContact CG2-CD1 4.29Å; I206-P324 WeakPolarHBondContact O-CB 3.15Å; I206-F340 HydrophobicContact CD1-CE2 3.65Å; I206-F340 HydrophobicContact CD1-CZ 3.9Å; I206-L424 HydrophobicContact CD1-CD1 4.48Å; I206-R535 PolarHBondContact O-NH1 2.8Å; I206-F539 HydrophobicContact CD1-CD2 4.5Å; I206-F539 HydrophobicContact CG1-CB 4.49Å; I206-F539 HydrophobicContact CG1-CD2 3.88Å
207	T	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-87.1	-12	-178.4	62.2	0	0	0	0	114.7	I203 C204 M209 L316 L319 G326 A333 F353	I203-T207 HydrophobicContact CG2-CG2 4.15Å; I203-T207 WeakPolarHBondContact O-CB 3.4Å; I203-T207 WeakPolarHBondContact O-CG2 3.41Å; I203-T207 PolarHBondContact O-N 3.11Å; I203-T207 PolarHBondContact O-OG1 2.86Å; C204-T207 PolarHBondContact O-N 2.83Å; T207-M209 PolarHBondContact O-N 3.36Å; T207-M209 WeakPolarHBondContact OG1-CB 3.34Å; T207-M209 VanDerWaalsContact OG1-CG 3.29Å; T207-M209 WeakPolarHBondContact OG1-CG 3.4Å; T207-L316 HydrophobicContact CG2-CD2 4.34Å; T207-L319 HydrophobicContact CG2-CD1 4.22Å; T207-G326 PolarHBondContact O-N 3.24Å; T207-A333 HydrophobicContact CG2-CB 4.04Å; T207-F353 HydrophobicContact CG2-CD2 4.21Å; T207-F353 HydrophobicContact CG2-CE2 3.74Å
208	G	98.6	Very high	98.7	Very high	37 Å²	37	9 Å²	9	38%	0.381	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	17.9	-173.6	0	0	0	0	0	113.5	C204	C204-G208 WeakPolarHBondContact O-CA 3.43Å; C204-G208 PolarHBondContact O-N 2.92Å
209	M	98.4	Very high	98.7	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.034	6%	0.064	C	C	.	.			trans	-101.1	145.8	-178.3	-57.1	-60	-65.8	0	0	110.1	C204 T207 V330 D331 A333 A355 K357	C204-M209 CarbonylContact C-O 3.57Å; C204-M209 WeakPolarHBondContact CA-O 3.38Å; C204-M209 WeakPolarHBondContact CB-O 3.43Å; C204-M209 PolarHBondContact O-N 3.28Å; C204-M209 PolarHBondContact SG-O 3.33Å; T207-M209 PolarHBondContact O-N 3.36Å; T207-M209 WeakPolarHBondContact OG1-CB 3.34Å; T207-M209 VanDerWaalsContact OG1-CG 3.29Å; T207-M209 WeakPolarHBondContact OG1-CG 3.4Å; M209-V330 WeakPolarHBondContact CE-O 3.21Å; M209-D331 VanDerWaalsContact CE-O 3.27Å; M209-D331 WeakPolarHBondContact CE-O 3.35Å; M209-A333 HydrophobicContact CG-CB 3.76Å; M209-A333 HydrophobicContact SD-CB 4.33Å; M209-A355 HydrophobicContact CB-CB 3.71Å; M209-A355 HydrophobicContact CG-CB 4.05Å; M209-K357 HydrophobicContact CE-CG 4.13Å
210	P	96.9	Very high	98.7	Very high	54 Å²	54	9.8 Å²	9.8	35%	0.351	6%	0.064	S	C	.	.	S	Bend	trans	-76.6	-33.7	-174	28.9	-35.3	0	0	0	114.2	C204 V356 D358	C204-P210 VanDerWaalsContact SG-C 3.58Å; C204-P210 PolarHBondContact SG-O 2.91Å; P210-V356 VanDerWaalsContact CD-O 3.31Å; P210-V356 WeakPolarHBondContact CD-O 3.41Å; P210-V356 WeakPolarHBondContact CG-O 3.14Å; P210-D358 WeakPolarHBondContact CB-OD1 3.38Å; P210-D358 VanDerWaalsContact CG-OD2 3.26Å; P210-D358 WeakPolarHBondContact CG-OD2 3.38Å
211	V	97.8	Very high	98.7	Very high	11 Å²	11	10 Å²	10	7%	0.067	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.6	-176.8	-172.4	0	0	0	0	112.4	A355 V356 D358 V361 M364 M368 C1020	V211-A355 CarbonylContact O-C 3.47Å; V211-A355 WeakPolarHBondContact O-CA 3.42Å; V211-A355 WeakPolarHBondContact O-CB 3.24Å; V211-V356 PolarHBondContact N-O 3.06Å; V211-V356 PolarHBondContact O-N 3.09Å; V211-D358 WeakPolarHBondContact CG2-OD1 3.42Å; V211-V361 HydrophobicContact CB-CG2 4.45Å; V211-V361 HydrophobicContact CG1-CG2 3.82Å; V211-M364 HydrophobicContact CG1-CE 4Å; V211-M368 HydrophobicContact CG1-CE 4.49Å; V211-M368 HydrophobicContact CG1-SD 3.45Å; V211-M368 WeakPolarHBondContact CG1-SD 3.25Å; V211-C1020 HydrophobicContact CG1-CB 4.05Å
212	A	98.8	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	161.5	174.1	0	0	0	0	0	111.9	Q200 I203 C204 F354 A355	Q200-A212 HydrophobicContact CB-CB 4.33Å; Q200-A212 HydrophobicContact CG-CB 4.41Å; Q200-A212 WeakPolarHBondContact CG-O 3.4Å; I203-A212 HydrophobicContact CB-CB 3.77Å; I203-A212 HydrophobicContact CG2-CB 3.67Å; C204-A212 PolarHBondContact SG-N 3.43Å; C204-A212 VanDerWaalsContact SG-N 3.38Å; A212-F354 WeakPolarHBondContact CA-O 3.36Å; A212-A355 HydrophobicContact CB-CB 3.85Å
213	N	98.7	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.064	C	C	.	.			trans	-100	170.2	178	85.8	-15.1	0	0	0	113.6	S215 L216 F354 M364 P365 R367	N213-S215 PolarHBondContact O-N 3.02Å; N213-S215 PolarHBondContact OD1-N 3.34Å; N213-L216 VanDerWaalsContact ND2-CD2 3.33Å; N213-L216 WeakPolarHBondContact ND2-CD2 3.37Å; N213-L216 WeakPolarHBondContact ND2-CG 3.44Å; N213-F354 PolarHBondContact N-O 3.13Å; N213-M364 HydrophobicContact CB-CE 4.11Å; N213-M364 HydrophobicContact CB-CG 3.9Å; N213-M364 HydrophobicContact CB-SD 3.87Å; N213-P365 PolarHBondContact ND2-O 2.7Å; N213-R367 WeakPolarHBondContact CB-O 3.22Å
214	A	98.6	Very high	98.7	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.008	6%	0.064	C	C	.	.	S	Bend	trans	-84.7	52.3	177.6	0	0	0	0	0	112.2	L196 R367	L196-A214 HydrophobicContact CD1-CB 4.43Å; L196-A214 HydrophobicContact CD2-CB 4.38Å; A214-R367 HydrophobicContact CB-CB 3.99Å; A214-R367 PolarHBondContact N-O 2.74Å
215	S	98.6	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.064	C	C	.	.			trans	73.9	151.2	-178.9	76.4	0	0	0	0	118.6	N213 A352 Q405	N213-S215 PolarHBondContact O-N 3.02Å; N213-S215 PolarHBondContact OD1-N 3.34Å; S215-A352 CarbonylContact C-O 3.53Å; S215-A352 WeakPolarHBondContact CA-O 3.4Å; S215-Q405 PolarHBondContact OG-N 3.45Å
216	L	98.9	Very high	98.7	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.021	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-116.7	-179.9	162	-61.5	-178.3	0	0	0	110.4	N213 A222 E225 A352 F354 P365 I401 Q405	N213-L216 VanDerWaalsContact ND2-CD2 3.33Å; N213-L216 WeakPolarHBondContact ND2-CD2 3.37Å; N213-L216 WeakPolarHBondContact ND2-CG 3.44Å; L216-A222 HydrophobicContact CB-CB 4.38Å; L216-A222 HydrophobicContact CD1-CB 3.8Å; L216-E225 HydrophobicContact CD1-CB 4.3Å; L216-E225 HydrophobicContact CD1-CG 4.44Å; L216-A352 HydrophobicContact CB-CB 4.19Å; L216-A352 PolarHBondContact N-O 2.76Å; L216-A352 PolarHBondContact O-N 2.97Å; L216-F354 HydrophobicContact CD1-CB 3.71Å; L216-F354 HydrophobicContact CD1-CD2 3.64Å; L216-F354 HydrophobicContact CD1-CE2 4.44Å; L216-F354 HydrophobicContact CD1-CG 3.85Å; L216-F354 HydrophobicContact CG-CB 4.2Å; L216-P365 HydrophobicContact CD1-CG 3.98Å; L216-P365 HydrophobicContact CD2-CB 4.11Å; L216-P365 HydrophobicContact CD2-CG 4.1Å; L216-I401 HydrophobicContact CD2-CD1 3.73Å; L216-Q405 VanDerWaalsContact O-CG 3.31Å; L216-Q405 WeakPolarHBondContact O-CG 3.43Å
217	L	98.8	Very high	98.7	Very high	9 Å²	9	7.7 Å²	7.7	5%	0.047	5%	0.053	C	C	.	.	S	Bend	trans	-79.3	-41.7	-165.4	-62.8	173.6	0	0	0	115.2	I401 Q405 S637 Q640	L217-I401 HydrophobicContact CD1-CD1 4.43Å; L217-I401 HydrophobicContact CD1-CG1 4.44Å; L217-I401 HydrophobicContact CD2-CD1 4.28Å; L217-I401 HydrophobicContact CG-CD1 3.88Å; L217-I401 HydrophobicContact CG-CG1 4.34Å; L217-Q405 HydrophobicContact CD2-CG 4.43Å; L217-Q405 PolarHBondContact O-NE2 3.46Å; L217-S637 VanDerWaalsContact CD1-OG 3.3Å; L217-S637 WeakPolarHBondContact CD1-OG 3.48Å; L217-Q640 HydrophobicContact CD1-CG 3.48Å; L217-Q640 VanDerWaalsContact CD1-CG 3.48Å
218	D	98.9	Very high	98.7	Very high	12 Å²	12	8.4 Å²	8.4	6%	0.064	6%	0.056	C	C	.	.			trans	-162.8	173.1	174.3	60.2	44	0	0	0	110.3	G220 T221 A222 A352 N636 S821 A822	D218-G220 PolarHBondContact O-N 3.37Å; D218-G220 PolarHBondContact OD1-N 2.91Å; D218-G220 VanDerWaalsContact OD1-N 3.16Å; D218-T221 PolarHBondContact N-OG1 3.24Å; D218-T221 PolarHBondContact O-N 2.85Å; D218-T221 PolarHBondContact O-OG1 3.35Å; D218-T221 WeakPolarHBondContact OD1-CB 3.44Å; D218-T221 WeakPolarHBondContact OD1-CG2 3.47Å; D218-T221 PolarHBondContact OD1-N 3.16Å; D218-T221 PolarHBondContact OD1-OG1 3.5Å; D218-A222 WeakPolarHBondContact O-CB 3.44Å; D218-A222 PolarHBondContact O-N 3.46Å; D218-A352 VanDerWaalsContact O-CB 3.27Å; D218-A352 WeakPolarHBondContact O-CB 3.36Å; D218-N636 PolarHBondContact OD2-ND2 3.26Å; D218-S821 WeakPolarHBondContact OD2-CA 3.22Å; D218-S821 VanDerWaalsContact OD2-CB 3.32Å; D218-S821 WeakPolarHBondContact OD2-CB 3.35Å; D218-A822 HydrophobicContact CB-CB 3.8Å; D218-A822 PolarHBondContact OD2-N 3.3Å
219	E	98.9	Very high	98.7	Very high	15 Å²	15	6.7 Å²	6.7	7%	0.07	4%	0.038	C	C	.	.	H	α-helix	trans	-61	-42.1	-178.7	-179.3	-172.9	115.2	0	0	113	T221 A222 A223 H246 T249 L334	E219-T221 PolarHBondContact O-N 2.95Å; E219-A222 PolarHBondContact O-N 2.77Å; E219-A223 WeakPolarHBondContact O-CB 3.17Å; E219-A223 PolarHBondContact O-N 3.23Å; E219-H246 IonicContact OE1-CD2 3.69Å; E219-H246 PolarHBondContact OE1-CD2 3.34Å; E219-H246 IonicContact OE2-CD2 3.96Å; E219-T249 HydrophobicContact CG-CG2 4.23Å; E219-T249 PolarHBondContact OE1-OG1 2.77Å; E219-L334 HydrophobicContact CG-CD1 4.3Å
220	G	98.9	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.2	-41.2	-177.3	0	0	0	0	0	112.4	D218 A223 A224 V252	D218-G220 PolarHBondContact O-N 3.37Å; D218-G220 PolarHBondContact OD1-N 2.91Å; D218-G220 VanDerWaalsContact OD1-N 3.16Å; G220-A223 PolarHBondContact O-N 2.63Å; G220-A224 WeakPolarHBondContact O-CB 3.28Å; G220-A224 PolarHBondContact O-N 3.13Å; G220-V252 VanDerWaalsContact C-CG1 3.49Å; G220-V252 WeakPolarHBondContact O-CG1 3.5Å
221	T	98.9	Very high	98.7	Very high	6 Å²	6	5 Å²	5	4%	0.037	3%	0.026	C	C	.	.	H	α-helix	trans	-70.8	-35.6	174	53.2	0	0	0	0	112.2	D218 E219 A224 E225 V252 I820	D218-T221 PolarHBondContact N-OG1 3.24Å; D218-T221 PolarHBondContact O-N 2.85Å; D218-T221 PolarHBondContact O-OG1 3.35Å; D218-T221 WeakPolarHBondContact OD1-CB 3.44Å; D218-T221 WeakPolarHBondContact OD1-CG2 3.47Å; D218-T221 PolarHBondContact OD1-N 3.16Å; D218-T221 PolarHBondContact OD1-OG1 3.5Å; E219-T221 PolarHBondContact O-N 2.95Å; T221-A224 PolarHBondContact O-N 3Å; T221-E225 PolarHBondContact O-N 2.86Å; T221-V252 HydrophobicContact CG2-CG1 4.21Å; T221-I820 WeakPolarHBondContact CG2-O 3.37Å
222	A	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.6	-43	172.1	0	0	0	0	0	112.2	L216 D218 E219 A224 E225 A226 L334 A352 F354	L216-A222 HydrophobicContact CB-CB 4.38Å; L216-A222 HydrophobicContact CD1-CB 3.8Å; D218-A222 WeakPolarHBondContact O-CB 3.44Å; D218-A222 PolarHBondContact O-N 3.46Å; E219-A222 PolarHBondContact O-N 2.77Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 2.86Å; A222-E225 PolarHBondContact O-N 3.03Å; A222-A226 PolarHBondContact O-N 2.74Å; A222-L334 HydrophobicContact CB-CB 4.25Å; A222-L334 HydrophobicContact CB-CD1 4.28Å; A222-A352 HydrophobicContact CB-CB 4.17Å; A222-F354 HydrophobicContact CB-CD2 4.35Å; A222-F354 WeakPolarHBondContact O-CE2 3.32Å
223	A	98.9	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-38.8	173.8	0	0	0	0	0	112.4	E219 G220 A226 M227 T249 V253 L283 L334	E219-A223 WeakPolarHBondContact O-CB 3.17Å; E219-A223 PolarHBondContact O-N 3.23Å; G220-A223 PolarHBondContact O-N 2.63Å; A223-A226 WeakPolarHBondContact O-CB 3.33Å; A223-A226 PolarHBondContact O-N 2.87Å; A223-M227 PolarHBondContact O-N 3.35Å; A223-M227 VanDerWaalsContact O-N 3.1Å; A223-T249 HydrophobicContact CB-CG2 3.49Å; A223-T249 VanDerWaalsContact CB-CG2 3.49Å; A223-V253 HydrophobicContact CB-CG2 3.57Å; A223-L283 HydrophobicContact CB-CD2 3.83Å; A223-L334 HydrophobicContact CB-CD1 3.93Å; A223-L334 HydrophobicContact CB-CD2 4.44Å
224	A	98.9	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.4	-39	175.4	0	0	0	0	0	112.1	G220 T221 A222 A226 M227 Q228 V252 V253 R256	G220-A224 WeakPolarHBondContact O-CB 3.28Å; G220-A224 PolarHBondContact O-N 3.13Å; T221-A224 PolarHBondContact O-N 3Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 2.86Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A224-M227 PolarHBondContact O-N 2.76Å; A224-Q228 WeakPolarHBondContact O-CG 3.21Å; A224-Q228 PolarHBondContact O-N 3.13Å; A224-V252 HydrophobicContact CB-CG1 4.17Å; A224-V253 HydrophobicContact CB-CG2 4.37Å; A224-R256 HydrophobicContact CB-CB 3.83Å; A224-R256 HydrophobicContact CB-CG 4.01Å
225	E	98.9	Very high	98.5	Very high	5 Å²	5	20 Å²	20	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-67.1	-30.9	171.7	-77.3	-61.2	159.7	0	0	113	L216 T221 A222 Q228 L229 R232 R256 F354 P365 S399 M680	L216-E225 HydrophobicContact CD1-CB 4.3Å; L216-E225 HydrophobicContact CD1-CG 4.44Å; T221-E225 PolarHBondContact O-N 2.86Å; A222-E225 PolarHBondContact O-N 3.03Å; E225-Q228 PolarHBondContact O-N 2.82Å; E225-L229 WeakPolarHBondContact O-CB 3.31Å; E225-L229 PolarHBondContact O-N 3.03Å; E225-R232 IonicContact OE2-CZ 3.57Å; E225-R232 IonicContact OE2-NH1 2.81Å; E225-R232 PolarHBondContact OE2-NH1 2.91Å; E225-R232 VanDerWaalsContact OE2-NH1 3.14Å; E225-R232 IonicContact OE2-NH2 3.6Å; E225-R232 PolarHBondContact OE2-NH2 3.46Å; E225-R256 IonicContact OE1-NH1 2.93Å; E225-R256 PolarHBondContact OE1-NH1 2.93Å; E225-F354 HydrophobicContact CB-CE2 4.18Å; E225-P365 HydrophobicContact CB-CB 4.28Å; E225-P365 HydrophobicContact CB-CG 4.06Å; E225-P365 HydrophobicContact CG-CB 4.04Å; E225-P365 HydrophobicContact CG-CG 4.33Å; E225-S399 VanDerWaalsContact OE1-CB 3.23Å; E225-S399 WeakPolarHBondContact OE1-CB 3.3Å; E225-S399 PolarHBondContact OE1-OG 3.35Å; E225-M680 WeakPolarHBondContact OE1-CE 3.46Å
226	A	98.9	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-47.9	173	0	0	0	0	0	111	A222 A223 A224 Q228 L229 C230 C311 I332 L334 F354	A222-A226 PolarHBondContact O-N 2.74Å; A223-A226 WeakPolarHBondContact O-CB 3.33Å; A223-A226 PolarHBondContact O-N 2.87Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A226-Q228 VanDerWaalsContact C-N 3.31Å; A226-Q228 PolarHBondContact O-N 2.89Å; A226-L229 PolarHBondContact O-N 3.36Å; A226-L229 VanDerWaalsContact O-N 3.16Å; A226-C230 PolarHBondContact O-N 2.91Å; A226-C230 PolarHBondContact O-SG 2.88Å; A226-C311 HydrophobicContact CB-CB 4.27Å; A226-I332 HydrophobicContact CB-CD1 4.09Å; A226-I332 HydrophobicContact CB-CG2 3.99Å; A226-L334 HydrophobicContact CB-CD2 3.56Å; A226-F354 HydrophobicContact CB-CE2 3.85Å; A226-F354 HydrophobicContact CB-CZ 4.32Å
227	M	98.8	Very high	98.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-43	173.4	176.7	-79.9	-61.6	0	0	111.8	A223 A224 C230 N231 F239 V253 R256 A257 I260 V262	A223-M227 PolarHBondContact O-N 3.35Å; A223-M227 VanDerWaalsContact O-N 3.1Å; A224-M227 PolarHBondContact O-N 2.76Å; M227-C230 PolarHBondContact O-N 3.42Å; M227-N231 PolarHBondContact O-N 3.2Å; M227-F239 HydrophobicContact CB-CD1 4.22Å; M227-F239 HydrophobicContact CB-CD2 4.21Å; M227-F239 HydrophobicContact CB-CE1 3.92Å; M227-F239 HydrophobicContact CB-CE2 3.92Å; M227-F239 HydrophobicContact CB-CG 4.37Å; M227-F239 HydrophobicContact CB-CZ 3.77Å; M227-F239 HydrophobicContact CG-CB 4.26Å; M227-F239 HydrophobicContact CG-CD1 3.8Å; M227-F239 HydrophobicContact CG-CD2 3.82Å; M227-F239 HydrophobicContact CG-CE1 4.03Å; M227-F239 HydrophobicContact CG-CE2 4.06Å; M227-F239 HydrophobicContact CG-CG 3.69Å; M227-F239 HydrophobicContact CG-CZ 4.17Å; M227-V253 HydrophobicContact CB-CG1 4.17Å; M227-V253 HydrophobicContact CG-CG1 4.24Å; M227-R256 HydrophobicContact CE-CB 4.02Å; M227-R256 HydrophobicContact CE-CG 3.95Å; M227-A257 HydrophobicContact CE-CB 3.79Å; M227-A257 HydrophobicContact SD-CB 4.18Å; M227-I260 HydrophobicContact CE-CD1 4.13Å; M227-I260 HydrophobicContact SD-CD1 4.11Å; M227-V262 HydrophobicContact SD-CB 4.24Å; M227-V262 HydrophobicContact SD-CG1 4.01Å; M227-V262 HydrophobicContact SD-CG2 4.41Å
228	Q	98.7	Very high	98.4	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-69.3	-35.2	175.9	-69.1	-173.1	-86.7	0	0	112.7	A224 E225 A226 N231 R232 R256 I260	A224-Q228 WeakPolarHBondContact O-CG 3.21Å; A224-Q228 PolarHBondContact O-N 3.13Å; E225-Q228 PolarHBondContact O-N 2.82Å; A226-Q228 VanDerWaalsContact C-N 3.31Å; A226-Q228 PolarHBondContact O-N 2.89Å; Q228-N231 PolarHBondContact O-N 2.91Å; Q228-R232 VanDerWaalsContact CB-NH1 3.31Å; Q228-R232 WeakPolarHBondContact O-CB 3.35Å; Q228-R232 VanDerWaalsContact O-CG 3.23Å; Q228-R232 WeakPolarHBondContact O-CG 3.33Å; Q228-R232 PolarHBondContact O-N 3.11Å; Q228-R256 HydrophobicContact CG-CG 4.09Å; Q228-R256 VanDerWaalsContact OE1-CD 3.25Å; Q228-I260 HydrophobicContact CG-CD1 3.87Å
229	L	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-45	172.9	-161.2	165.7	0	0	0	110.4	E225 A226 N231 R232 Q233 I332 F354 V356 L360 M363	E225-L229 WeakPolarHBondContact O-CB 3.31Å; E225-L229 PolarHBondContact O-N 3.03Å; A226-L229 PolarHBondContact O-N 3.36Å; A226-L229 VanDerWaalsContact O-N 3.16Å; L229-N231 PolarHBondContact O-N 3.49Å; L229-R232 WeakPolarHBondContact O-CB 3.37Å; L229-R232 PolarHBondContact O-N 2.98Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L229-Q233 PolarHBondContact O-N 3Å; L229-I332 HydrophobicContact CB-CD1 4.17Å; L229-I332 HydrophobicContact CD1-CD1 4.14Å; L229-I332 HydrophobicContact CD2-CD1 4.2Å; L229-I332 HydrophobicContact CG-CD1 4.39Å; L229-F354 HydrophobicContact CD1-CE1 3.83Å; L229-F354 HydrophobicContact CD1-CZ 3.83Å; L229-V356 HydrophobicContact CD1-CG1 4.2Å; L229-L360 HydrophobicContact CD2-CB 4.3Å; L229-L360 HydrophobicContact CD2-CD1 4.2Å; L229-L360 HydrophobicContact CD2-CD2 4.14Å; L229-L360 HydrophobicContact CD2-CG 4.45Å; L229-M363 HydrophobicContact CD1-CB 4.37Å; L229-M363 HydrophobicContact CD2-CB 4.16Å; L229-M363 HydrophobicContact CD2-CE 3.93Å; L229-M363 HydrophobicContact CD2-SD 4.32Å; L229-M363 HydrophobicContact CG-CB 3.93Å
230	C	98.8	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.5	-49.9	174	-65.3	0	0	0	0	111.7	A226 M227 R232 Q233 N234 F239 S280 M309	A226-C230 PolarHBondContact O-N 2.91Å; A226-C230 PolarHBondContact O-SG 2.88Å; M227-C230 PolarHBondContact O-N 3.42Å; C230-R232 PolarHBondContact O-N 3.03Å; C230-Q233 PolarHBondContact O-N 3.41Å; C230-N234 PolarHBondContact O-N 2.75Å; C230-N234 VanDerWaalsContact O-N 3.08Å; C230-N234 PolarHBondContact O-OD1 2.96Å; C230-F239 HydrophobicContact CB-CE2 4.18Å; C230-S280 WeakPolarHBondContact CB-OG 3.18Å; C230-S280 PolarHBondContact O-OG 2.86Å; C230-M309 HydrophobicContact CB-CE 4.1Å
231	N	97.8	Very high	98.4	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.134	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-36.9	177.4	-178.6	-98.4	0	0	0	112.3	M227 Q228 L229 Q233 K235 R236 V262 S280	M227-N231 PolarHBondContact O-N 3.2Å; Q228-N231 PolarHBondContact O-N 2.91Å; L229-N231 PolarHBondContact O-N 3.49Å; N231-Q233 VanDerWaalsContact C-N 3.32Å; N231-Q233 PolarHBondContact O-N 2.74Å; N231-K235 WeakPolarHBondContact O-CA 3.45Å; N231-K235 WeakPolarHBondContact O-CD 3.45Å; N231-K235 PolarHBondContact O-N 2.66Å; N231-R236 PolarHBondContact ND2-O 3.34Å; N231-V262 HydrophobicContact CB-CG2 4.36Å; N231-S280 WeakPolarHBondContact CA-OG 3.49Å; N231-S280 PolarHBondContact N-OG 3.13Å; N231-S280 VanDerWaalsContact N-OG 3.15Å
232	R	97.2	Very high	98.4	Very high	50 Å²	50	28.7 Å²	28.7	19%	0.189	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.5	-77.4	-174.2	-58	-100.7	14.4	111.4	E225 Q228 L229 C230 K235 M363 T398	E225-R232 IonicContact OE2-CZ 3.57Å; E225-R232 IonicContact OE2-NH1 2.81Å; E225-R232 PolarHBondContact OE2-NH1 2.91Å; E225-R232 VanDerWaalsContact OE2-NH1 3.14Å; E225-R232 IonicContact OE2-NH2 3.6Å; E225-R232 PolarHBondContact OE2-NH2 3.46Å; Q228-R232 VanDerWaalsContact CB-NH1 3.31Å; Q228-R232 WeakPolarHBondContact O-CB 3.35Å; Q228-R232 VanDerWaalsContact O-CG 3.23Å; Q228-R232 WeakPolarHBondContact O-CG 3.33Å; Q228-R232 PolarHBondContact O-N 3.11Å; L229-R232 WeakPolarHBondContact O-CB 3.37Å; L229-R232 PolarHBondContact O-N 2.98Å; L229-R232 VanDerWaalsContact O-N 3.16Å; C230-R232 PolarHBondContact O-N 3.03Å; R232-K235 WeakPolarHBondContact O-CE 3.37Å; R232-K235 PolarHBondContact O-NZ 2.79Å; R232-M363 HydrophobicContact CB-SD 4.27Å; R232-M363 PolarHBondContact NH2-O 2.91Å; R232-M363 VanDerWaalsContact NH2-O 3.08Å; R232-T398 PolarHBondContact NH1-O 3.43Å; R232-T398 PolarHBondContact NH2-O 3.48Å
233	Q	97.7	Very high	98.4	Very high	96 Å²	96	31.3 Å²	31.3	45%	0.449	14%	0.142	S	C	.	.	H	α-helix	trans	-75.2	-52.3	-177.4	177.4	63.1	-14.6	0	0	113.4	L229 C230 N231 M309 L360 M363	L229-Q233 PolarHBondContact O-N 3Å; C230-Q233 PolarHBondContact O-N 3.41Å; N231-Q233 VanDerWaalsContact C-N 3.32Å; N231-Q233 PolarHBondContact O-N 2.74Å; Q233-M309 HydrophobicContact CB-CE 3.68Å; Q233-M309 HydrophobicContact CG-CE 3.67Å; Q233-M309 HydrophobicContact CG-SD 4.41Å; Q233-L360 HydrophobicContact CG-CD2 4.43Å; Q233-M363 HydrophobicContact CB-CE 3.88Å; Q233-M363 HydrophobicContact CB-SD 3.86Å; Q233-M363 HydrophobicContact CG-CE 4.13Å
234	N	97.5	Very high	98.4	Very high	39 Å²	39	32.4 Å²	32.4	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-111.9	-1.1	-170.3	65.3	26	0	0	0	115.4	C230 R236 S280	C230-N234 PolarHBondContact O-N 2.75Å; C230-N234 VanDerWaalsContact O-N 3.08Å; C230-N234 PolarHBondContact O-OD1 2.96Å; N234-R236 HydrophobicContact CB-CG 4.4Å; N234-R236 PolarHBondContact O-N 3.24Å; N234-R236 WeakPolarHBondContact OD1-CB 3.41Å; N234-R236 PolarHBondContact OD1-N 2.74Å; N234-S280 PolarHBondContact ND2-O 2.88Å; N234-S280 WeakPolarHBondContact OD1-CA 3.32Å; N234-S280 WeakPolarHBondContact OD1-CB 3.08Å; N234-S280 PolarHBondContact OD1-OG 3.01Å
235	K	97.6	Very high	98.4	Very high	144 Å²	144	32.4 Å²	32.4	63%	0.626	15%	0.146	S	C	*	.			trans	59.8	-1.1	177.2	-48.6	-50.9	-173	-165.2	0	116.6	N231 R232	N231-K235 WeakPolarHBondContact O-CA 3.45Å; N231-K235 WeakPolarHBondContact O-CD 3.45Å; N231-K235 PolarHBondContact O-N 2.66Å; R232-K235 WeakPolarHBondContact O-CE 3.37Å; R232-K235 PolarHBondContact O-NZ 2.79Å
236	R	98	Very high	98.4	Very high	52 Å²	52	32.4 Å²	32.4	20%	0.196	15%	0.146	C	C	.	.			trans	-64	154.5	-179.4	-71.6	178.2	-174.3	-165.5	-5.2	112.1	N231 N234 K277 D278 V279 G306 G307	N231-R236 PolarHBondContact ND2-O 3.34Å; N234-R236 HydrophobicContact CB-CG 4.4Å; N234-R236 PolarHBondContact O-N 3.24Å; N234-R236 WeakPolarHBondContact OD1-CB 3.41Å; N234-R236 PolarHBondContact OD1-N 2.74Å; R236-K277 WeakPolarHBondContact CD-O 3.35Å; R236-K277 PolarHBondContact NE-O 3.44Å; R236-K277 PolarHBondContact NH1-O 2.92Å; R236-K277 PolarHBondContact NH2-O 3.34Å; R236-D278 WeakPolarHBondContact CB-O 3.2Å; R236-V279 VanDerWaalsContact CD-C 3.48Å; R236-V279 WeakPolarHBondContact CD-O 3.45Å; R236-V279 PolarHBondContact NH1-O 2.83Å; R236-G306 VanDerWaalsContact CZ-O 3.28Å; R236-G306 PolarHBondContact NH1-O 2.86Å; R236-G306 PolarHBondContact NH2-O 3.17Å; R236-G307 PolarHBondContact NH1-O 2.91Å
237	R	97.3	Very high	98.4	Very high	133 Å²	133	34.3 Å²	34.3	50%	0.502	16%	0.159	S	C	.	.			trans	-115.3	-8.2	-164.3	-66.8	-61.4	-172.6	155.1	-7.3	115.9	I260 G261 K263	R237-I260 PolarHBondContact NH1-O 3.32Å; R237-G261 WeakPolarHBondContact CD-O 3.43Å; R237-G261 PolarHBondContact NH1-O 3.44Å; R237-K263 PolarHBondContact O-N 3.2Å
238	T	98.6	Very high	98.4	Very high	22 Å²	22	34.4 Å²	34.4	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142	168.5	-55.6	0	0	0	0	109.8	Y240 K263 V265 D278 V279 S280	T238-Y240 HydrophobicContact CG2-CE1 4.48Å; T238-K263 CarbonylContact C-O 3.46Å; T238-K263 WeakPolarHBondContact CA-O 3.2Å; T238-V265 HydrophobicContact CG2-CG2 4.33Å; T238-D278 VanDerWaalsContact CB-OD2 3.26Å; T238-D278 WeakPolarHBondContact CB-OD2 3.14Å; T238-D278 PolarHBondContact N-O 2.99Å; T238-D278 PolarHBondContact OG1-OD2 3.41Å; T238-V279 HydrophobicContact CG2-CG2 4.17Å; T238-V279 CarbonylContact O-C 3.41Å; T238-V279 WeakPolarHBondContact O-CA 3.21Å; T238-S280 WeakPolarHBondContact O-CB 3.42Å; T238-S280 PolarHBondContact O-N 3.43Å
239	F	98.9	Very high	98.4	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.7	171.8	-170.9	-93.7	0	0	0	109.6	M227 C230 I241 V253 V262 K263 T264 V265 G281 L283	M227-F239 HydrophobicContact CB-CD1 4.22Å; M227-F239 HydrophobicContact CB-CD2 4.21Å; M227-F239 HydrophobicContact CB-CE1 3.92Å; M227-F239 HydrophobicContact CB-CE2 3.92Å; M227-F239 HydrophobicContact CB-CG 4.37Å; M227-F239 HydrophobicContact CB-CZ 3.77Å; M227-F239 HydrophobicContact CG-CB 4.26Å; M227-F239 HydrophobicContact CG-CD1 3.8Å; M227-F239 HydrophobicContact CG-CD2 3.82Å; M227-F239 HydrophobicContact CG-CE1 4.03Å; M227-F239 HydrophobicContact CG-CE2 4.06Å; M227-F239 HydrophobicContact CG-CG 3.69Å; M227-F239 HydrophobicContact CG-CZ 4.17Å; C230-F239 HydrophobicContact CB-CE2 4.18Å; F239-I241 HydrophobicContact CD1-CG1 3.92Å; F239-I241 HydrophobicContact CE1-CG1 4.07Å; F239-V253 HydrophobicContact CE1-CG1 4.38Å; F239-V262 HydrophobicContact CB-CG1 3.93Å; F239-K263 PolarHBondContact N-O 2.92Å; F239-T264 CarbonylContact O-C 3.54Å; F239-T264 VanDerWaalsContact O-CA 3.31Å; F239-T264 WeakPolarHBondContact O-CA 3.14Å; F239-V265 PolarHBondContact O-N 3.23Å; F239-G281 WeakPolarHBondContact CD2-O 3.49Å; F239-L283 HydrophobicContact CE1-CB 3.69Å; F239-L283 HydrophobicContact CZ-CB 3.92Å
240	Y	98.9	Very high	98.4	Very high	18 Å²	18	34.5 Å²	34.5	7%	0.071	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.6	177.3	-70.5	-47.3	0	0	0	111.4	T238 V265 K267 M272 D273 F274 V279 G281 V282 L283	T238-Y240 HydrophobicContact CG2-CE1 4.48Å; Y240-V265 WeakPolarHBondContact CA-O 3.29Å; Y240-V265 HydrophobicContact CD1-CB 3.91Å; Y240-V265 HydrophobicContact CD1-CG1 4.23Å; Y240-V265 HydrophobicContact CE1-CB 4.09Å; Y240-V265 HydrophobicContact CE1-CG1 4.14Å; Y240-K267 HydrophobicContact CD1-CD 4.21Å; Y240-K267 HydrophobicContact CE1-CD 3.74Å; Y240-M272 HydrophobicContact CD1-CG 4.41Å; Y240-M272 HydrophobicContact CD2-CB 3.85Å; Y240-M272 HydrophobicContact CD2-CG 3.84Å; Y240-M272 HydrophobicContact CD2-SD 4.02Å; Y240-M272 HydrophobicContact CE2-CB 3.85Å; Y240-M272 HydrophobicContact CE2-CG 4.25Å; Y240-M272 HydrophobicContact CG-CB 4.43Å; Y240-M272 HydrophobicContact CG-CG 3.94Å; Y240-M272 HydrophobicContact CG-SD 4.1Å; Y240-D273 WeakPolarHBondContact CE2-O 3.49Å; Y240-D273 PolarHBondContact OH-N 3.46Å; Y240-D273 PolarHBondContact OH-O 3.29Å; Y240-F274 HydrophobicContact CD2-CD1 4.29Å; Y240-F274 AromaticContact CD2-CE1 3.67Å; Y240-F274 HydrophobicContact CD2-CE1 3.67Å; Y240-F274 HydrophobicContact CD2-CE2 4.45Å; Y240-F274 AromaticContact CD2-CZ 3.75Å; Y240-F274 HydrophobicContact CD2-CZ 3.75Å; Y240-F274 HydrophobicContact CE2-CD1 4.24Å; Y240-F274 HydrophobicContact CE2-CE1 4.04Å; Y240-F274 HydrophobicContact CE2-CZ 4.18Å; Y240-V279 HydrophobicContact CD2-CG1 3.78Å; Y240-V279 HydrophobicContact CD2-CG2 4.15Å; Y240-V279 HydrophobicContact CE2-CB 4.47Å; Y240-V279 HydrophobicContact CE2-CG1 4.09Å; Y240-V279 HydrophobicContact CE2-CG2 3.58Å; Y240-V279 HydrophobicContact CG-CG1 4.44Å; Y240-G281 PolarHBondContact N-O 2.91Å; Y240-V282 CarbonylContact O-C 3.57Å; Y240-V282 WeakPolarHBondContact O-CA 3.49Å; Y240-L283 PolarHBondContact O-N 3.06Å
241	I	98.9	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.1	170.7	-48.7	171.6	0	0	0	107.4	F239 C245 I250 V253 Q254 T264 V265 L266 K267 L283	F239-I241 HydrophobicContact CD1-CG1 3.92Å; F239-I241 HydrophobicContact CE1-CG1 4.07Å; I241-C245 HydrophobicContact CG2-CB 4.32Å; I241-I250 HydrophobicContact CG2-CG1 4.05Å; I241-V253 HydrophobicContact CD1-CB 4.12Å; I241-V253 HydrophobicContact CD1-CG1 3.6Å; I241-V253 HydrophobicContact CG1-CG1 4.38Å; I241-Q254 HydrophobicContact CD1-CG 4.39Å; I241-T264 HydrophobicContact CD1-CG2 3.75Å; I241-V265 PolarHBondContact N-O 3.2Å; I241-L266 HydrophobicContact CB-CD2 3.84Å; I241-L266 HydrophobicContact CD1-CD2 4.25Å; I241-L266 HydrophobicContact CG2-CD2 4.33Å; I241-L266 WeakPolarHBondContact O-CA 3.2Å; I241-K267 PolarHBondContact O-N 2.82Å; I241-K267 VanDerWaalsContact O-N 3.08Å; I241-L283 CarbonylContact C-O 3.57Å; I241-L283 WeakPolarHBondContact CA-O 3.49Å; I241-L283 HydrophobicContact CG2-CB 4.4Å; I241-L283 HydrophobicContact CG2-CD2 4.23Å
242	D	98.9	Very high	98.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.159	C	C	.	.			trans	-65.8	125.3	169	-165.2	-44.9	0	0	0	108.9	R244 C245 K267 P269 M272 L283 F284	D242-R244 PolarHBondContact O-N 3.3Å; D242-R244 VanDerWaalsContact OD1-CB 3.24Å; D242-R244 WeakPolarHBondContact OD1-CB 3.48Å; D242-R244 VanDerWaalsContact OD1-CG 3.29Å; D242-R244 WeakPolarHBondContact OD1-CG 3.24Å; D242-R244 IonicContact OD1-CZ 2.65Å; D242-R244 PolarHBondContact OD1-N 3.01Å; D242-R244 IonicContact OD1-NE 2.68Å; D242-R244 PolarHBondContact OD1-NE 2.8Å; D242-R244 IonicContact OD1-NH2 2.98Å; D242-R244 IonicContact OD2-CZ 3.9Å; D242-R244 IonicContact OD2-NE 3.05Å; D242-R244 PolarHBondContact OD2-NE 3.37Å; D242-R244 IonicContact OD2-NH2 2.84Å; D242-R244 PolarHBondContact OD2-NH2 2.72Å; D242-C245 PolarHBondContact O-N 3.21Å; D242-K267 WeakPolarHBondContact CA-O 3.32Å; D242-P269 VanDerWaalsContact OD2-CD 3.27Å; D242-P269 WeakPolarHBondContact OD2-CD 3.24Å; D242-P269 WeakPolarHBondContact OD2-CG 3.44Å; D242-M272 HydrophobicContact CB-CE 4.37Å; D242-L283 PolarHBondContact N-O 3.34Å; D242-F284 HydrophobicContact CB-CB 4.03Å
243	P	98.7	Very high	98.6	Very high	56 Å²	56	31.7 Å²	31.7	36%	0.364	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-9	177.6	27.2	-36	0	0	0	113.2	K267 L268	P243-K267 WeakPolarHBondContact CD-O 3.26Å; P243-L268 HydrophobicContact CG-CD2 3.75Å; P243-L268 HydrophobicContact CG-CG 4.02Å
244	R	98.7	Very high	98.6	Very high	22 Å²	22	30 Å²	30	8%	0.083	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.2	172.9	-51	170.9	-63.4	162.6	-12	113.6	D242 L268 D288 T289 E294	D242-R244 PolarHBondContact O-N 3.3Å; D242-R244 VanDerWaalsContact OD1-CB 3.24Å; D242-R244 WeakPolarHBondContact OD1-CB 3.48Å; D242-R244 VanDerWaalsContact OD1-CG 3.29Å; D242-R244 WeakPolarHBondContact OD1-CG 3.24Å; D242-R244 IonicContact OD1-CZ 2.65Å; D242-R244 PolarHBondContact OD1-N 3.01Å; D242-R244 IonicContact OD1-NE 2.68Å; D242-R244 PolarHBondContact OD1-NE 2.8Å; D242-R244 IonicContact OD1-NH2 2.98Å; D242-R244 IonicContact OD2-CZ 3.9Å; D242-R244 IonicContact OD2-NE 3.05Å; D242-R244 PolarHBondContact OD2-NE 3.37Å; D242-R244 IonicContact OD2-NH2 2.84Å; D242-R244 PolarHBondContact OD2-NH2 2.72Å; R244-L268 HydrophobicContact CG-CD2 4.1Å; R244-D288 HydrophobicContact CB-CB 3.89Å; R244-D288 WeakPolarHBondContact CD-OD2 3.27Å; R244-D288 IonicContact CZ-OD2 2.76Å; R244-D288 IonicContact NE-OD2 2.72Å; R244-D288 IonicContact NH1-OD2 3.28Å; R244-D288 PolarHBondContact NH1-OD2 2.73Å; R244-T289 HydrophobicContact CB-CG2 4.23Å; R244-T289 WeakPolarHBondContact O-CB 3.17Å; R244-T289 WeakPolarHBondContact O-CG2 3.49Å; R244-T289 PolarHBondContact O-N 3.4Å; R244-E294 IonicContact CZ-OE1 3.63Å; R244-E294 IonicContact CZ-OE2 3.63Å; R244-E294 IonicContact NH1-OE1 3.81Å; R244-E294 IonicContact NH1-OE2 3.75Å; R244-E294 PolarHBondContact NH1-OE2 2.73Å; R244-E294 IonicContact NH2-OE1 3.74Å; R244-E294 PolarHBondContact NH2-OE1 3.37Å; R244-E294 IonicContact NH2-OE2 3.46Å
245	C	98.9	Very high	98.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.135	C	C	.	.	S	Bend	trans	-67.3	159.3	159	-71.2	0	0	0	0	110.8	I241 D242 I250	I241-C245 HydrophobicContact CG2-CB 4.32Å; D242-C245 PolarHBondContact O-N 3.21Å; C245-I250 HydrophobicContact CB-CD1 4.05Å; C245-I250 HydrophobicContact CB-CG1 3.69Å
246	H	98.9	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	11%	0.106	C	C	.	.			trans	-59	137.5	173.6	-69.5	-34.6	0	0	0	111.3	G157 E219 Q248 T249 I250 Q285 T289	G157-H246 PolarHBondContact N-NE2 2.81Å; E219-H246 IonicContact OE1-CD2 3.69Å; E219-H246 PolarHBondContact OE1-CD2 3.34Å; E219-H246 IonicContact OE2-CD2 3.96Å; H246-Q248 VanDerWaalsContact C-N 3.33Å; H246-Q248 PolarHBondContact O-N 3.34Å; H246-T249 WeakPolarHBondContact O-CA 3.15Å; H246-T249 VanDerWaalsContact O-CB 3.3Å; H246-T249 WeakPolarHBondContact O-CB 3.24Å; H246-T249 PolarHBondContact O-N 3.35Å; H246-I250 PolarHBondContact O-N 3.02Å; H246-Q285 PolarHBondContact CD2-NE2 2.84Å; H246-Q285 PolarHBondContact CE1-NE2 2.93Å; H246-Q285 PolarHBondContact NE2-NE2 2.89Å; H246-T289 WeakPolarHBondContact ND1-CB 3.46Å; H246-T289 PolarHBondContact ND1-OG1 3.06Å
247	P	98.8	Very high	98.7	Very high	41 Å²	41	19.3 Å²	19.3	27%	0.266	10%	0.096	S	C	.	.	H	α-helix	trans	-65	-33.5	-168.3	24.6	-34.3	0	0	0	113.4	M156 T249 I250 A251 V805	M156-P247 HydrophobicContact CE-CG 3.45Å; M156-P247 VanDerWaalsContact CE-CG 3.45Å; P247-T249 VanDerWaalsContact C-N 3.34Å; P247-I250 PolarHBondContact O-N 2.89Å; P247-A251 WeakPolarHBondContact O-CB 3.49Å; P247-A251 PolarHBondContact O-N 2.66Å; P247-V805 HydrophobicContact CG-CG2 3.9Å
248	Q	98.8	Very high	98.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-37.6	171.4	70.4	-79.9	6.9	0	0	112.2	M156 H246 A251 V252 F602 H803 P804 A822	M156-Q248 PolarHBondContact O-NE2 3.24Å; H246-Q248 VanDerWaalsContact C-N 3.33Å; H246-Q248 PolarHBondContact O-N 3.34Å; Q248-A251 PolarHBondContact O-N 3.26Å; Q248-V252 WeakPolarHBondContact O-CG2 3.3Å; Q248-V252 PolarHBondContact O-N 2.86Å; Q248-F602 HydrophobicContact CG-CZ 4.33Å; Q248-H803 WeakPolarHBondContact CB-NE2 3.47Å; Q248-P804 HydrophobicContact CB-CG 4.38Å; Q248-A822 WeakPolarHBondContact CB-O 3.18Å; Q248-A822 HydrophobicContact CG-CB 4.02Å; Q248-A822 WeakPolarHBondContact CG-O 3.48Å
249	T	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-41.9	178.3	-55.7	0	0	0	0	110	E219 A223 H246 P247 V253 L283	E219-T249 HydrophobicContact CG-CG2 4.23Å; E219-T249 PolarHBondContact OE1-OG1 2.77Å; A223-T249 HydrophobicContact CB-CG2 3.49Å; A223-T249 VanDerWaalsContact CB-CG2 3.49Å; H246-T249 WeakPolarHBondContact O-CA 3.15Å; H246-T249 VanDerWaalsContact O-CB 3.3Å; H246-T249 WeakPolarHBondContact O-CB 3.24Å; H246-T249 PolarHBondContact O-N 3.35Å; P247-T249 VanDerWaalsContact C-N 3.34Å; T249-V253 WeakPolarHBondContact O-CG2 3.47Å; T249-V253 PolarHBondContact O-N 3.24Å; T249-V253 VanDerWaalsContact O-N 3.16Å; T249-L283 HydrophobicContact CG2-CD2 4.45Å
250	I	98.9	Very high	98.4	Very high	17 Å²	17	19.7 Å²	19.7	9%	0.087	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-50.5	170.6	-62.1	174.2	0	0	0	110.9	I241 C245 H246 P247 V252 V253 Q254 L266	I241-I250 HydrophobicContact CG2-CG1 4.05Å; C245-I250 HydrophobicContact CB-CD1 4.05Å; C245-I250 HydrophobicContact CB-CG1 3.69Å; H246-I250 PolarHBondContact O-N 3.02Å; P247-I250 PolarHBondContact O-N 2.89Å; I250-V252 PolarHBondContact O-N 3.19Å; I250-V253 PolarHBondContact O-N 3.01Å; I250-Q254 HydrophobicContact CG2-CG 4.19Å; I250-Q254 WeakPolarHBondContact O-CB 3.47Å; I250-Q254 VanDerWaalsContact O-CG 3.32Å; I250-Q254 WeakPolarHBondContact O-CG 3.48Å; I250-Q254 PolarHBondContact O-N 3.37Å; I250-L266 HydrophobicContact CG2-CD1 4.45Å; I250-L266 HydrophobicContact CG2-CD2 3.83Å
251	A	98.8	Very high	98.2	Very high	13 Å²	13	21.1 Å²	21.1	11%	0.107	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-39.8	-176	0	0	0	0	0	113.4	P247 Q248 T255 P804	P247-A251 WeakPolarHBondContact O-CB 3.49Å; P247-A251 PolarHBondContact O-N 2.66Å; Q248-A251 PolarHBondContact O-N 3.26Å; A251-T255 VanDerWaalsContact O-CB 3.3Å; A251-T255 WeakPolarHBondContact O-CB 3.4Å; A251-T255 PolarHBondContact O-N 3.37Å; A251-T255 PolarHBondContact O-OG1 2.83Å; A251-P804 HydrophobicContact CB-CB 4.42Å; A251-P804 HydrophobicContact CB-CG 3.76Å
252	V	98.9	Very high	98.2	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-41.2	176.7	178.4	0	0	0	0	111.2	G220 T221 A224 Q248 I250 T255 R256 T819	G220-V252 VanDerWaalsContact C-CG1 3.49Å; G220-V252 WeakPolarHBondContact O-CG1 3.5Å; T221-V252 HydrophobicContact CG2-CG1 4.21Å; A224-V252 HydrophobicContact CB-CG1 4.17Å; Q248-V252 WeakPolarHBondContact O-CG2 3.3Å; Q248-V252 PolarHBondContact O-N 2.86Å; I250-V252 PolarHBondContact O-N 3.19Å; V252-T255 PolarHBondContact O-N 3.35Å; V252-R256 WeakPolarHBondContact O-CB 3.27Å; V252-R256 PolarHBondContact O-N 3.46Å; V252-T819 HydrophobicContact CG2-CG2 3.81Å
253	V	98.9	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-47	175.1	175.8	0	0	0	0	111.3	A223 A224 M227 F239 I241 T249 I250 T255 R256 A257 T264 L283	A223-V253 HydrophobicContact CB-CG2 3.57Å; A224-V253 HydrophobicContact CB-CG2 4.37Å; M227-V253 HydrophobicContact CB-CG1 4.17Å; M227-V253 HydrophobicContact CG-CG1 4.24Å; F239-V253 HydrophobicContact CE1-CG1 4.38Å; I241-V253 HydrophobicContact CD1-CB 4.12Å; I241-V253 HydrophobicContact CD1-CG1 3.6Å; I241-V253 HydrophobicContact CG1-CG1 4.38Å; T249-V253 WeakPolarHBondContact O-CG2 3.47Å; T249-V253 PolarHBondContact O-N 3.24Å; T249-V253 VanDerWaalsContact O-N 3.16Å; I250-V253 PolarHBondContact O-N 3.01Å; V253-T255 PolarHBondContact O-N 2.66Å; V253-R256 PolarHBondContact O-N 3.31Å; V253-A257 VanDerWaalsContact O-CB 3.24Å; V253-A257 WeakPolarHBondContact O-CB 3.37Å; V253-A257 PolarHBondContact O-N 2.95Å; V253-T264 HydrophobicContact CG1-CG2 4.29Å; V253-L283 HydrophobicContact CG2-CD2 4.04Å
254	Q	98.8	Very high	98.1	Very high	61 Å²	61	26.5 Å²	26.5	29%	0.285	15%	0.145	S	C	.	.	H	α-helix	trans	-58.8	-46.4	175.9	-74.7	178.3	-27.9	0	0	111.5	I241 I250 R256 A257 N258 T264	I241-Q254 HydrophobicContact CD1-CG 4.39Å; I250-Q254 HydrophobicContact CG2-CG 4.19Å; I250-Q254 WeakPolarHBondContact O-CB 3.47Å; I250-Q254 VanDerWaalsContact O-CG 3.32Å; I250-Q254 WeakPolarHBondContact O-CG 3.48Å; I250-Q254 PolarHBondContact O-N 3.37Å; Q254-R256 PolarHBondContact O-N 3.09Å; Q254-A257 PolarHBondContact O-N 3.5Å; Q254-N258 WeakPolarHBondContact O-CB 3.41Å; Q254-N258 PolarHBondContact O-N 3.1Å; Q254-N258 PolarHBondContact O-ND2 3.4Å; Q254-N258 PolarHBondContact O-OD1 3.1Å; Q254-T264 HydrophobicContact CG-CG2 4.4Å
255	T	98.6	Very high	98.1	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-50.5	178	-57.3	0	0	0	0	110.8	A251 V252 V253 A257 N258 Y259 L817 T819	A251-T255 VanDerWaalsContact O-CB 3.3Å; A251-T255 WeakPolarHBondContact O-CB 3.4Å; A251-T255 PolarHBondContact O-N 3.37Å; A251-T255 PolarHBondContact O-OG1 2.83Å; V252-T255 PolarHBondContact O-N 3.35Å; V253-T255 PolarHBondContact O-N 2.66Å; T255-A257 VanDerWaalsContact C-N 3.35Å; T255-A257 PolarHBondContact O-N 2.77Å; T255-N258 PolarHBondContact O-N 3.17Å; T255-Y259 HydrophobicContact CG2-CD2 4.32Å; T255-Y259 HydrophobicContact CG2-CE2 3.88Å; T255-Y259 WeakPolarHBondContact O-CD2 3.48Å; T255-L817 HydrophobicContact CG2-CD1 4.46Å; T255-T819 VanDerWaalsContact CB-O 3.26Å; T255-T819 WeakPolarHBondContact CB-O 3.21Å; T255-T819 WeakPolarHBondContact CG2-O 3.45Å; T255-T819 PolarHBondContact OG1-N 3.42Å; T255-T819 PolarHBondContact OG1-O 2.9Å
256	R	98.6	Very high	98.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-38.2	178.4	-168.9	69.8	67.8	83.1	-10.8	112.7	A224 E225 M227 Q228 V252 V253 Q254 I260 Y643 M680	A224-R256 HydrophobicContact CB-CB 3.83Å; A224-R256 HydrophobicContact CB-CG 4.01Å; E225-R256 IonicContact OE1-NH1 2.93Å; E225-R256 PolarHBondContact OE1-NH1 2.93Å; M227-R256 HydrophobicContact CE-CB 4.02Å; M227-R256 HydrophobicContact CE-CG 3.95Å; Q228-R256 HydrophobicContact CG-CG 4.09Å; Q228-R256 VanDerWaalsContact OE1-CD 3.25Å; V252-R256 WeakPolarHBondContact O-CB 3.27Å; V252-R256 PolarHBondContact O-N 3.46Å; V253-R256 PolarHBondContact O-N 3.31Å; Q254-R256 PolarHBondContact O-N 3.09Å; R256-I260 WeakPolarHBondContact O-CG1 3.26Å; R256-Y643 WeakPolarHBondContact CA-OH 3.38Å; R256-M680 VanDerWaalsContact CD-CG 3.47Å; R256-M680 PolarHBondContact NH1-SD 3Å; R256-M680 VanDerWaalsContact NH1-SD 3.42Å
257	A	98.4	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.3	-41.2	179.4	0	0	0	0	0	112.9	M227 V253 Q254 T255 Y259 I260 G261 V262 T264	M227-A257 HydrophobicContact CE-CB 3.79Å; M227-A257 HydrophobicContact SD-CB 4.18Å; V253-A257 VanDerWaalsContact O-CB 3.24Å; V253-A257 WeakPolarHBondContact O-CB 3.37Å; V253-A257 PolarHBondContact O-N 2.95Å; Q254-A257 PolarHBondContact O-N 3.5Å; T255-A257 VanDerWaalsContact C-N 3.35Å; T255-A257 PolarHBondContact O-N 2.77Å; A257-Y259 PolarHBondContact O-N 2.99Å; A257-I260 WeakPolarHBondContact O-CG1 3.3Å; A257-I260 PolarHBondContact O-N 2.98Å; A257-G261 PolarHBondContact O-N 2.87Å; A257-G261 VanDerWaalsContact O-N 3.11Å; A257-V262 CarbonylContact C-O 3.39Å; A257-V262 HydrophobicContact CB-CB 4.07Å; A257-V262 HydrophobicContact CB-CG1 4.29Å; A257-V262 WeakPolarHBondContact CB-O 3.14Å; A257-V262 PolarHBondContact O-N 2.91Å; A257-T264 HydrophobicContact CB-CG2 3.54Å
258	N	96.5	Very high	98.1	Very high	107 Å²	107	34.2 Å²	34.2	57%	0.572	18%	0.184	S	C	*	.	H	α-helix	trans	-56.9	-48.5	-179.8	-74.1	-16.9	0	0	0	111.8	Q254 T255 I260 G261	Q254-N258 WeakPolarHBondContact O-CB 3.41Å; Q254-N258 PolarHBondContact O-N 3.1Å; Q254-N258 PolarHBondContact O-ND2 3.4Å; Q254-N258 PolarHBondContact O-OD1 3.1Å; T255-N258 PolarHBondContact O-N 3.17Å; N258-I260 PolarHBondContact O-N 2.84Å; N258-G261 PolarHBondContact O-N 3.43Å
259	Y	95.8	Very high	98.1	Very high	27 Å²	27	34.7 Å²	34.7	11%	0.106	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-31.8	-175.3	-72.7	-65	0	0	0	114.2	T255 A257 Y643 A647 K650 G682 L817	T255-Y259 HydrophobicContact CG2-CD2 4.32Å; T255-Y259 HydrophobicContact CG2-CE2 3.88Å; T255-Y259 WeakPolarHBondContact O-CD2 3.48Å; A257-Y259 PolarHBondContact O-N 2.99Å; Y259-Y643 HydrophobicContact CD2-CE2 4.44Å; Y259-A647 HydrophobicContact CD2-CB 4.24Å; Y259-A647 HydrophobicContact CE1-CB 4.23Å; Y259-A647 HydrophobicContact CE2-CB 3.79Å; Y259-K650 HydrophobicContact CD1-CD 3.87Å; Y259-K650 HydrophobicContact CD1-CG 4.26Å; Y259-K650 HydrophobicContact CE1-CB 4.27Å; Y259-K650 HydrophobicContact CE1-CD 4.35Å; Y259-K650 HydrophobicContact CE1-CG 4.24Å; Y259-K650 PolarHBondContact O-NZ 3.41Å; Y259-G682 WeakPolarHBondContact O-CA 3.48Å; Y259-L817 WeakPolarHBondContact CE2-O 3.48Å; Y259-L817 VanDerWaalsContact OH-CA 3.29Å; Y259-L817 WeakPolarHBondContact OH-CA 3.5Å; Y259-L817 WeakPolarHBondContact OH-CB 3.26Å; Y259-L817 PolarHBondContact OH-O 2.74Å
260	I	94.8	Very high	98	Very high	30 Å²	30	41.7 Å²	41.7	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-91.9	-1.6	178.9	68.9	179.6	0	0	0	114	M227 Q228 R237 R256 A257 N258 V262 M680	M227-I260 HydrophobicContact CE-CD1 4.13Å; M227-I260 HydrophobicContact SD-CD1 4.11Å; Q228-I260 HydrophobicContact CG-CD1 3.87Å; R237-I260 PolarHBondContact NH1-O 3.32Å; R256-I260 WeakPolarHBondContact O-CG1 3.26Å; A257-I260 WeakPolarHBondContact O-CG1 3.3Å; A257-I260 PolarHBondContact O-N 2.98Å; N258-I260 PolarHBondContact O-N 2.84Å; I260-V262 HydrophobicContact CD1-CG2 4.02Å; I260-V262 HydrophobicContact CG1-CB 4.34Å; I260-V262 HydrophobicContact CG1-CG2 4Å; I260-M680 WeakPolarHBondContact CG2-O 3.49Å
261	G	95.4	Very high	98	Very high	47 Å²	47	45.3 Å²	45.3	49%	0.485	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	47.5	-178.5	0	0	0	0	0	113.6	R237 A257 N258	R237-G261 WeakPolarHBondContact CD-O 3.43Å; R237-G261 PolarHBondContact NH1-O 3.44Å; A257-G261 PolarHBondContact O-N 2.87Å; A257-G261 VanDerWaalsContact O-N 3.11Å; N258-G261 PolarHBondContact O-N 3.43Å
262	V	98	Very high	97.9	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.03	23%	0.232	C	C	.	.			trans	-109.3	128	166.8	169.7	0	0	0	0	108.4	M227 N231 F239 A257 I260 T264	M227-V262 HydrophobicContact SD-CB 4.24Å; M227-V262 HydrophobicContact SD-CG1 4.01Å; M227-V262 HydrophobicContact SD-CG2 4.41Å; N231-V262 HydrophobicContact CB-CG2 4.36Å; F239-V262 HydrophobicContact CB-CG1 3.93Å; A257-V262 CarbonylContact C-O 3.39Å; A257-V262 HydrophobicContact CB-CB 4.07Å; A257-V262 HydrophobicContact CB-CG1 4.29Å; A257-V262 WeakPolarHBondContact CB-O 3.14Å; A257-V262 PolarHBondContact O-N 2.91Å; I260-V262 HydrophobicContact CD1-CG2 4.02Å; I260-V262 HydrophobicContact CG1-CB 4.34Å; I260-V262 HydrophobicContact CG1-CG2 4Å; V262-T264 PolarHBondContact O-N 2.94Å
263	K	98.4	Very high	97.9	Very high	140 Å²	140	48.8 Å²	48.8	61%	0.609	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	103.7	179.3	-176.7	-174.3	178.8	-177.2	0	109.9	R237 T238 F239 V265	R237-K263 PolarHBondContact O-N 3.2Å; T238-K263 CarbonylContact C-O 3.46Å; T238-K263 WeakPolarHBondContact CA-O 3.2Å; F239-K263 PolarHBondContact N-O 2.92Å; K263-V265 HydrophobicContact CD-CG2 4.25Å; K263-V265 HydrophobicContact CG-CG2 4.1Å
264	T	98.7	Very high	97.9	Very high	25 Å²	25	49.1 Å²	49.1	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.4	166.3	49.5	0	0	0	0	111	F239 I241 V253 Q254 A257 V262	F239-T264 CarbonylContact O-C 3.54Å; F239-T264 VanDerWaalsContact O-CA 3.31Å; F239-T264 WeakPolarHBondContact O-CA 3.14Å; I241-T264 HydrophobicContact CD1-CG2 3.75Å; V253-T264 HydrophobicContact CG1-CG2 4.29Å; Q254-T264 HydrophobicContact CG-CG2 4.4Å; A257-T264 HydrophobicContact CB-CG2 3.54Å; V262-T264 PolarHBondContact O-N 2.94Å
265	V	98.6	Very high	97.8	Very high	36 Å²	36	50.4 Å²	50.4	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.5	174.1	179.9	0	0	0	0	109	T238 F239 Y240 I241 K263 K267	T238-V265 HydrophobicContact CG2-CG2 4.33Å; F239-V265 PolarHBondContact O-N 3.23Å; Y240-V265 WeakPolarHBondContact CA-O 3.29Å; Y240-V265 HydrophobicContact CD1-CB 3.91Å; Y240-V265 HydrophobicContact CD1-CG1 4.23Å; Y240-V265 HydrophobicContact CE1-CB 4.09Å; Y240-V265 HydrophobicContact CE1-CG1 4.14Å; I241-V265 PolarHBondContact N-O 3.2Å; K263-V265 HydrophobicContact CD-CG2 4.25Å; K263-V265 HydrophobicContact CG-CG2 4.1Å; V265-K267 HydrophobicContact CG1-CD 4.23Å; V265-K267 HydrophobicContact CG1-CG 4.16Å
266	L	98.8	Very high	97.6	Very high	80 Å²	80	52.8 Å²	52.8	42%	0.419	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.1	174.3	-54.4	-171.1	0	0	0	109.1	I241 I250	I241-L266 HydrophobicContact CB-CD2 3.84Å; I241-L266 HydrophobicContact CD1-CD2 4.25Å; I241-L266 HydrophobicContact CG2-CD2 4.33Å; I241-L266 WeakPolarHBondContact O-CA 3.2Å; I250-L266 HydrophobicContact CG2-CD1 4.45Å; I250-L266 HydrophobicContact CG2-CD2 3.83Å
267	K	98.6	Very high	97.5	Very high	59 Å²	59	58.8 Å²	58.8	26%	0.257	32%	0.322	S	S	.	.			trans	-154.3	143.1	-179.9	-92.9	-177.1	166.3	-164.4	0	110.6	Y240 I241 D242 P243 V265 E271 M272	Y240-K267 HydrophobicContact CD1-CD 4.21Å; Y240-K267 HydrophobicContact CE1-CD 3.74Å; I241-K267 PolarHBondContact O-N 2.82Å; I241-K267 VanDerWaalsContact O-N 3.08Å; D242-K267 WeakPolarHBondContact CA-O 3.32Å; P243-K267 WeakPolarHBondContact CD-O 3.26Å; V265-K267 HydrophobicContact CG1-CD 4.23Å; V265-K267 HydrophobicContact CG1-CG 4.16Å; K267-E271 WeakPolarHBondContact CA-OE2 3.3Å; K267-E271 HydrophobicContact CB-CB 4.13Å; K267-E271 HydrophobicContact CD-CB 4.01Å; K267-E271 WeakPolarHBondContact CD-O 3.49Å; K267-E271 WeakPolarHBondContact CE-O 3.41Å; K267-E271 HydrophobicContact CG-CB 3.92Å; K267-E271 PolarHBondContact NZ-O 2.89Å; K267-M272 HydrophobicContact CB-CG 3.84Å; K267-M272 WeakPolarHBondContact O-CE 3.49Å
268	L	98.6	Very high	97.5	Very high	55 Å²	55	62.2 Å²	62.2	29%	0.288	34%	0.34	S	S	.	.			trans	-71.6	156.3	166.8	-68.7	171	0	0	0	110.5	P243 R244 H270 E271 M272	P243-L268 HydrophobicContact CG-CD2 3.75Å; P243-L268 HydrophobicContact CG-CG 4.02Å; R244-L268 HydrophobicContact CG-CD2 4.1Å; L268-H270 PolarHBondContact O-N 3.22Å; L268-E271 HydrophobicContact CB-CG 4.26Å; L268-E271 PolarHBondContact N-OE2 3.16Å; L268-E271 WeakPolarHBondContact O-CB 3.35Å; L268-E271 PolarHBondContact O-N 3.19Å; L268-M272 PolarHBondContact O-N 3.29Å
269	P	98.2	Very high	97.6	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.084	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.8	-171.5	-31	38.5	0	0	0	115.1	D242 F296 L299 R302	D242-P269 VanDerWaalsContact OD2-CD 3.27Å; D242-P269 WeakPolarHBondContact OD2-CD 3.24Å; D242-P269 WeakPolarHBondContact OD2-CG 3.44Å; P269-F296 HydrophobicContact CG-CE1 4.03Å; P269-L299 HydrophobicContact CB-CD1 4.21Å; P269-L299 HydrophobicContact CB-CD2 4.08Å; P269-L299 HydrophobicContact CG-CD2 4.19Å; P269-R302 PolarHBondContact O-NH1 3.48Å; P269-R302 PolarHBondContact O-NH2 3Å
270	H	97.4	Very high	97.7	Very high	146 Å²	146	55.9 Å²	55.9	68%	0.676	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.3	178.5	64.3	-93.8	0	0	0	113.3	L268	L268-H270 PolarHBondContact O-N 3.22Å
271	E	98.3	Very high	97.9	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.4	177.1	-51.3	178.6	118.5	0	0	112.3	K267 L268 D273	K267-E271 WeakPolarHBondContact CA-OE2 3.3Å; K267-E271 HydrophobicContact CB-CB 4.13Å; K267-E271 HydrophobicContact CD-CB 4.01Å; K267-E271 WeakPolarHBondContact CD-O 3.49Å; K267-E271 WeakPolarHBondContact CE-O 3.41Å; K267-E271 HydrophobicContact CG-CB 3.92Å; K267-E271 PolarHBondContact NZ-O 2.89Å; L268-E271 HydrophobicContact CB-CG 4.26Å; L268-E271 PolarHBondContact N-OE2 3.16Å; L268-E271 WeakPolarHBondContact O-CB 3.35Å; L268-E271 PolarHBondContact O-N 3.19Å; E271-D273 PolarHBondContact O-N 3.14Å
272	M	98.4	Very high	98.1	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.278	C	S	.	.			trans	-70.7	120	-178.6	-63.7	-177.5	-167.1	0	0	111.2	Y240 D242 K267 L268 F274 V282 L299 R302	Y240-M272 HydrophobicContact CD1-CG 4.41Å; Y240-M272 HydrophobicContact CD2-CB 3.85Å; Y240-M272 HydrophobicContact CD2-CG 3.84Å; Y240-M272 HydrophobicContact CD2-SD 4.02Å; Y240-M272 HydrophobicContact CE2-CB 3.85Å; Y240-M272 HydrophobicContact CE2-CG 4.25Å; Y240-M272 HydrophobicContact CG-CB 4.43Å; Y240-M272 HydrophobicContact CG-CG 3.94Å; Y240-M272 HydrophobicContact CG-SD 4.1Å; D242-M272 HydrophobicContact CB-CE 4.37Å; K267-M272 HydrophobicContact CB-CG 3.84Å; K267-M272 WeakPolarHBondContact O-CE 3.49Å; L268-M272 PolarHBondContact O-N 3.29Å; M272-F274 HydrophobicContact CB-CD2 4.4Å; M272-F274 HydrophobicContact CB-CE2 3.6Å; M272-F274 HydrophobicContact CB-CZ 3.97Å; M272-F274 HydrophobicContact SD-CE2 4.38Å; M272-F274 HydrophobicContact SD-CZ 3.98Å; M272-V282 HydrophobicContact CE-CG2 3.62Å; M272-V282 HydrophobicContact SD-CB 4.3Å; M272-V282 HydrophobicContact SD-CG2 3.41Å; M272-V282 WeakPolarHBondContact SD-CG2 3.39Å; M272-L299 HydrophobicContact SD-CD1 3.75Å; M272-R302 PolarHBondContact O-NH1 3.44Å
273	D	97.8	Very high	98.1	Very high	85 Å²	85	52 Å²	52	46%	0.455	28%	0.276	S	S	.	.			trans	-108	128	172	179.5	22.4	0	0	0	110.2	Y240 E271 S275	Y240-D273 WeakPolarHBondContact CE2-O 3.49Å; Y240-D273 PolarHBondContact OH-N 3.46Å; Y240-D273 PolarHBondContact OH-O 3.29Å; E271-D273 PolarHBondContact O-N 3.14Å; D273-S275 VanDerWaalsContact CG-OG 3.26Å; D273-S275 WeakPolarHBondContact OD1-CB 3.35Å; D273-S275 PolarHBondContact OD1-N 3.02Å; D273-S275 PolarHBondContact OD1-OG 3.45Å; D273-S275 PolarHBondContact OD2-OG 3.43Å
274	F	98.4	Very high	98.1	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.035	25%	0.247	C	C	.	.			trans	-113.3	-0	179.4	-58.8	-91.4	0	0	0	112.2	Y240 M272 G276 K277 V279 V282 L299 R302 A303 G306 A308	Y240-F274 HydrophobicContact CD2-CD1 4.29Å; Y240-F274 AromaticContact CD2-CE1 3.67Å; Y240-F274 HydrophobicContact CD2-CE1 3.67Å; Y240-F274 HydrophobicContact CD2-CE2 4.45Å; Y240-F274 AromaticContact CD2-CZ 3.75Å; Y240-F274 HydrophobicContact CD2-CZ 3.75Å; Y240-F274 HydrophobicContact CE2-CD1 4.24Å; Y240-F274 HydrophobicContact CE2-CE1 4.04Å; Y240-F274 HydrophobicContact CE2-CZ 4.18Å; M272-F274 HydrophobicContact CB-CD2 4.4Å; M272-F274 HydrophobicContact CB-CE2 3.6Å; M272-F274 HydrophobicContact CB-CZ 3.97Å; M272-F274 HydrophobicContact SD-CE2 4.38Å; M272-F274 HydrophobicContact SD-CZ 3.98Å; F274-G276 VanDerWaalsContact C-N 3.3Å; F274-G276 PolarHBondContact O-N 3.43Å; F274-K277 PolarHBondContact O-N 3.39Å; F274-K277 VanDerWaalsContact O-N 3.14Å; F274-V279 HydrophobicContact CD1-CB 4.06Å; F274-V279 HydrophobicContact CD1-CG1 3.94Å; F274-V279 HydrophobicContact CD1-CG2 4.3Å; F274-V279 HydrophobicContact CE1-CG1 3.9Å; F274-V282 HydrophobicContact CE1-CB 4.18Å; F274-V282 HydrophobicContact CE1-CG1 4.21Å; F274-V282 HydrophobicContact CZ-CB 4.06Å; F274-V282 HydrophobicContact CZ-CG1 4.04Å; F274-L299 HydrophobicContact CE2-CD1 3.76Å; F274-L299 HydrophobicContact CZ-CD1 3.9Å; F274-R302 HydrophobicContact CD2-CB 4.09Å; F274-A303 HydrophobicContact CD1-CB 4.12Å; F274-A303 HydrophobicContact CE1-CB 3.77Å; F274-A303 HydrophobicContact CZ-CB 4.01Å; F274-G306 WeakPolarHBondContact O-CA 3.37Å; F274-A308 HydrophobicContact CD1-CB 3.81Å; F274-A308 HydrophobicContact CE1-CB 4.1Å
275	S	96.8	Very high	98.1	Very high	88 Å²	88	44.5 Å²	44.5	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.7	-174	70.5	0	0	0	0	113.2	D273 K277	D273-S275 VanDerWaalsContact CG-OG 3.26Å; D273-S275 WeakPolarHBondContact OD1-CB 3.35Å; D273-S275 PolarHBondContact OD1-N 3.02Å; D273-S275 PolarHBondContact OD1-OG 3.45Å; D273-S275 PolarHBondContact OD2-OG 3.43Å; S275-K277 PolarHBondContact O-N 3.3Å
276	G	95.7	Very high	98.1	Very high	57 Å²	57	42.8 Å²	42.8	59%	0.588	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.2	176.4	0	0	0	0	0	115.4	F274 D278	F274-G276 VanDerWaalsContact C-N 3.3Å; F274-G276 PolarHBondContact O-N 3.43Å; G276-D278 PolarHBondContact O-N 2.84Å; G276-D278 VanDerWaalsContact O-N 3.11Å
277	K	96.5	Very high	98.1	Very high	129 Å²	129	39.5 Å²	39.5	56%	0.561	22%	0.215	S	C	*	.	S	Bend	trans	55.5	24.2	178.5	-55.4	-172.7	-179.1	178.5	0	114.8	R236 F274 S275 G306	R236-K277 WeakPolarHBondContact CD-O 3.35Å; R236-K277 PolarHBondContact NE-O 3.44Å; R236-K277 PolarHBondContact NH1-O 2.92Å; R236-K277 PolarHBondContact NH2-O 3.34Å; F274-K277 PolarHBondContact O-N 3.39Å; F274-K277 VanDerWaalsContact O-N 3.14Å; S275-K277 PolarHBondContact O-N 3.3Å; K277-G306 WeakPolarHBondContact CG-O 3.26Å
278	D	96.9	Very high	98.2	Very high	72 Å²	72	37 Å²	37	39%	0.385	21%	0.205	S	C	.	.			trans	-97.1	-11	177.1	72.9	-57.4	0	0	0	113.5	R236 T238 G276	R236-D278 WeakPolarHBondContact CB-O 3.2Å; T238-D278 VanDerWaalsContact CB-OD2 3.26Å; T238-D278 WeakPolarHBondContact CB-OD2 3.14Å; T238-D278 PolarHBondContact N-O 2.99Å; T238-D278 PolarHBondContact OG1-OD2 3.41Å; G276-D278 PolarHBondContact O-N 2.84Å; G276-D278 VanDerWaalsContact O-N 3.11Å
279	V	98.7	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.5	-178.3	-175.8	0	0	0	0	110.9	R236 T238 Y240 F274 G281 A308	R236-V279 VanDerWaalsContact CD-C 3.48Å; R236-V279 WeakPolarHBondContact CD-O 3.45Å; R236-V279 PolarHBondContact NH1-O 2.83Å; T238-V279 HydrophobicContact CG2-CG2 4.17Å; T238-V279 CarbonylContact O-C 3.41Å; T238-V279 WeakPolarHBondContact O-CA 3.21Å; Y240-V279 HydrophobicContact CD2-CG1 3.78Å; Y240-V279 HydrophobicContact CD2-CG2 4.15Å; Y240-V279 HydrophobicContact CE2-CB 4.47Å; Y240-V279 HydrophobicContact CE2-CG1 4.09Å; Y240-V279 HydrophobicContact CE2-CG2 3.58Å; Y240-V279 HydrophobicContact CG-CG1 4.44Å; F274-V279 HydrophobicContact CD1-CB 4.06Å; F274-V279 HydrophobicContact CD1-CG1 3.94Å; F274-V279 HydrophobicContact CD1-CG2 4.3Å; F274-V279 HydrophobicContact CE1-CG1 3.9Å; V279-G281 VanDerWaalsContact CG1-O 3.31Å; V279-G281 WeakPolarHBondContact CG1-O 2.97Å; V279-A308 HydrophobicContact CB-CB 4.19Å; V279-A308 HydrophobicContact CG1-CB 4.06Å; V279-A308 VanDerWaalsContact O-CB 3.26Å; V279-A308 WeakPolarHBondContact O-CB 3.24Å
280	S	98.6	Very high	98.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-41.7	178.6	-170.3	0	0	0	0	112.5	C230 N231 N234 T238 M309	C230-S280 WeakPolarHBondContact CB-OG 3.18Å; C230-S280 PolarHBondContact O-OG 2.86Å; N231-S280 WeakPolarHBondContact CA-OG 3.49Å; N231-S280 PolarHBondContact N-OG 3.13Å; N231-S280 VanDerWaalsContact N-OG 3.15Å; N234-S280 PolarHBondContact ND2-O 2.88Å; N234-S280 WeakPolarHBondContact OD1-CA 3.32Å; N234-S280 WeakPolarHBondContact OD1-CB 3.08Å; N234-S280 PolarHBondContact OD1-OG 3.01Å; T238-S280 WeakPolarHBondContact O-CB 3.42Å; T238-S280 PolarHBondContact O-N 3.43Å; S280-M309 PolarHBondContact O-N 3.18Å
281	G	98.8	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	177.2	176.8	0	0	0	0	0	112.2	F239 Y240 V279 M309	F239-G281 WeakPolarHBondContact CD2-O 3.49Å; Y240-G281 PolarHBondContact N-O 2.91Å; V279-G281 VanDerWaalsContact CG1-O 3.31Å; V279-G281 WeakPolarHBondContact CG1-O 2.97Å; G281-M309 CarbonylContact C-O 3.29Å; G281-M309 WeakPolarHBondContact CA-O 3.44Å
282	V	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.5	172.4	53.8	0	0	0	0	109.7	Y240 M272 F274 F284 L299 A303 M309 C311	Y240-V282 CarbonylContact O-C 3.57Å; Y240-V282 WeakPolarHBondContact O-CA 3.49Å; M272-V282 HydrophobicContact CE-CG2 3.62Å; M272-V282 HydrophobicContact SD-CB 4.3Å; M272-V282 HydrophobicContact SD-CG2 3.41Å; M272-V282 WeakPolarHBondContact SD-CG2 3.39Å; F274-V282 HydrophobicContact CE1-CB 4.18Å; F274-V282 HydrophobicContact CE1-CG1 4.21Å; F274-V282 HydrophobicContact CZ-CB 4.06Å; F274-V282 HydrophobicContact CZ-CG1 4.04Å; V282-F284 HydrophobicContact CG1-CD1 4.47Å; V282-F284 HydrophobicContact CG2-CD1 4.3Å; V282-L299 HydrophobicContact CG2-CD2 4.25Å; V282-A303 HydrophobicContact CG1-CB 4.05Å; V282-M309 PolarHBondContact N-O 3.45Å; V282-C311 WeakPolarHBondContact O-CB 3.31Å; V282-C311 PolarHBondContact O-N 2.58Å
283	L	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.9	164.6	-180	66.9	0	0	0	110	A223 F239 Y240 I241 D242 T249 V253 C311 A313 L334	A223-L283 HydrophobicContact CB-CD2 3.83Å; F239-L283 HydrophobicContact CE1-CB 3.69Å; F239-L283 HydrophobicContact CZ-CB 3.92Å; Y240-L283 PolarHBondContact O-N 3.06Å; I241-L283 CarbonylContact C-O 3.57Å; I241-L283 WeakPolarHBondContact CA-O 3.49Å; I241-L283 HydrophobicContact CG2-CB 4.4Å; I241-L283 HydrophobicContact CG2-CD2 4.23Å; D242-L283 PolarHBondContact N-O 3.34Å; T249-L283 HydrophobicContact CG2-CD2 4.45Å; V253-L283 HydrophobicContact CG2-CD2 4.04Å; L283-C311 WeakPolarHBondContact CA-O 3.41Å; L283-C311 HydrophobicContact CD1-CB 3.96Å; L283-A313 HydrophobicContact CD1-CB 4.38Å; L283-L334 HydrophobicContact CD1-CD2 4.47Å
284	F	98.9	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	175.9	167.1	58.8	-93.3	0	0	0	109.8	D242 V282 F296 L299 V300 A310 C311 C312 A313 F328 V330	D242-F284 HydrophobicContact CB-CB 4.03Å; V282-F284 HydrophobicContact CG1-CD1 4.47Å; V282-F284 HydrophobicContact CG2-CD1 4.3Å; F284-F296 HydrophobicContact CB-CD1 4.41Å; F284-F296 HydrophobicContact CB-CE1 4Å; F284-F296 HydrophobicContact CB-CZ 4.27Å; F284-F296 HydrophobicContact CD1-CD1 4.49Å; F284-F296 HydrophobicContact CD2-CB 4.22Å; F284-F296 AromaticContact CD2-CD1 3.72Å; F284-F296 HydrophobicContact CD2-CD1 3.72Å; F284-F296 AromaticContact CD2-CD2 3.55Å; F284-F296 HydrophobicContact CD2-CD2 3.55Å; F284-F296 AromaticContact CD2-CE1 3.87Å; F284-F296 HydrophobicContact CD2-CE1 3.87Å; F284-F296 AromaticContact CD2-CE2 3.69Å; F284-F296 HydrophobicContact CD2-CE2 3.69Å; F284-F296 AromaticContact CD2-CG 3.55Å; F284-F296 HydrophobicContact CD2-CG 3.55Å; F284-F296 AromaticContact CD2-CZ 3.85Å; F284-F296 HydrophobicContact CD2-CZ 3.85Å; F284-F296 HydrophobicContact CE1-CB 4.5Å; F284-F296 HydrophobicContact CE2-CB 3.63Å; F284-F296 HydrophobicContact CE2-CD1 4.03Å; F284-F296 AromaticContact CE2-CD2 3.52Å; F284-F296 HydrophobicContact CE2-CD2 3.52Å; F284-F296 HydrophobicContact CE2-CE2 4.14Å; F284-F296 AromaticContact CE2-CG 3.45Å; F284-F296 HydrophobicContact CE2-CG 3.45Å; F284-F296 VanDerWaalsContact CE2-CG 3.45Å; F284-F296 AromaticContact CG-CD1 3.97Å; F284-F296 HydrophobicContact CG-CD1 3.97Å; F284-F296 HydrophobicContact CG-CE1 4.03Å; F284-F296 HydrophobicContact CG-CG 4.23Å; F284-F296 HydrophobicContact CG-CZ 4.35Å; F284-F296 HydrophobicContact CZ-CB 3.78Å; F284-F296 HydrophobicContact CZ-CG 4.04Å; F284-L299 HydrophobicContact CB-CD2 4.42Å; F284-L299 HydrophobicContact CD1-CD2 3.58Å; F284-L299 HydrophobicContact CE1-CD2 4.01Å; F284-L299 HydrophobicContact CG-CD2 4.12Å; F284-V300 HydrophobicContact CE1-CG2 4.29Å; F284-V300 HydrophobicContact CZ-CG2 4.07Å; F284-A310 HydrophobicContact CE1-CB 4.13Å; F284-C311 PolarHBondContact N-O 3.14Å; F284-C312 HydrophobicContact CD2-CB 4.4Å; F284-C312 HydrophobicContact CE2-CB 3.84Å; F284-C312 VanDerWaalsContact CE2-SG 3.58Å; F284-C312 HydrophobicContact CZ-CB 4.15Å; F284-C312 WeakPolarHBondContact O-CA 3.22Å; F284-A313 PolarHBondContact O-N 2.8Å; F284-F328 HydrophobicContact CE2-CE2 4.17Å; F284-F328 HydrophobicContact CZ-CE2 4.37Å; F284-V330 HydrophobicContact CZ-CG2 3.86Å
285	Q	98.9	Very high	98.2	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.9	-176.4	-164.8	-177.4	-47.4	0	0	112.1	H246 P287 F296 A313	H246-Q285 PolarHBondContact CD2-NE2 2.84Å; H246-Q285 PolarHBondContact CE1-NE2 2.93Å; H246-Q285 PolarHBondContact NE2-NE2 2.89Å; Q285-P287 WeakPolarHBondContact CG-O 3.38Å; Q285-P287 PolarHBondContact NE2-O 3.47Å; Q285-F296 WeakPolarHBondContact O-CE2 3.18Å; Q285-A313 CarbonylContact C-O 3.5Å; Q285-A313 VanDerWaalsContact CA-O 3.28Å; Q285-A313 WeakPolarHBondContact CA-O 3.4Å; Q285-A313 HydrophobicContact CB-CB 4.15Å; Q285-A313 HydrophobicContact CG-CB 3.77Å; Q285-A313 WeakPolarHBondContact CG-O 3.47Å
286	Y	98.8	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	111.3	-173.9	174.9	-99.1	0	0	0	111.6	V293 F296 A313 T314 L319 L322 R323 F328 F533	Y286-V293 HydrophobicContact CE2-CG1 3.89Å; Y286-F296 HydrophobicContact CD2-CD2 4.14Å; Y286-F296 HydrophobicContact CD2-CE2 4.13Å; Y286-A313 PolarHBondContact N-O 3.39Å; Y286-T314 WeakPolarHBondContact O-CA 3.32Å; Y286-T314 WeakPolarHBondContact O-CB 3.45Å; Y286-T314 PolarHBondContact O-OG1 3.13Å; Y286-L319 HydrophobicContact CD1-CD2 4.06Å; Y286-L319 HydrophobicContact CE1-CD2 3.75Å; Y286-L322 HydrophobicContact CE1-CB 4.08Å; Y286-L322 HydrophobicContact CE1-CD1 4.05Å; Y286-R323 VanDerWaalsContact CE1-O 3.23Å; Y286-R323 WeakPolarHBondContact CE1-O 3.34Å; Y286-R323 WeakPolarHBondContact OH-CG 3.37Å; Y286-R323 PolarHBondContact OH-O 3.18Å; Y286-F328 HydrophobicContact CD1-CE1 4.42Å; Y286-F328 HydrophobicContact CD1-CZ 4.05Å; Y286-F328 HydrophobicContact CD2-CZ 4.37Å; Y286-F328 AromaticContact CE1-CE1 3.96Å; Y286-F328 HydrophobicContact CE1-CE1 3.96Å; Y286-F328 HydrophobicContact CE1-CZ 4.05Å; Y286-F328 HydrophobicContact CE2-CE1 4.49Å; Y286-F328 HydrophobicContact CE2-CZ 4.38Å; Y286-F328 HydrophobicContact CG-CZ 4.19Å; Y286-F328 AromaticContact CZ-CE1 3.98Å; Y286-F533 HydrophobicContact CE2-CD1 4.49Å
287	P	98.8	Very high	98.4	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.078	13%	0.129	C	C	.	.	S	Bend	cis	-57.5	149.9	-13	-19.3	32	0	0	0	112.3	Q285 R292 V293 A318 L322 F455	Q285-P287 WeakPolarHBondContact CG-O 3.38Å; Q285-P287 PolarHBondContact NE2-O 3.47Å; P287-R292 WeakPolarHBondContact CA-O 3.42Å; P287-V293 HydrophobicContact CB-CG2 4.45Å; P287-V293 HydrophobicContact CG-CG2 4.34Å; P287-A318 HydrophobicContact CG-CB 4.02Å; P287-L322 HydrophobicContact CG-CD1 3.9Å; P287-F455 HydrophobicContact CG-CB 3.87Å
288	D	98.8	Very high	98.5	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	13%	0.129	C	C	.	.			trans	-72.1	173.5	-179.1	76.9	20.1	0	0	0	113.1	R244 D290 G291 R292	R244-D288 HydrophobicContact CB-CB 3.89Å; R244-D288 WeakPolarHBondContact CD-OD2 3.27Å; R244-D288 IonicContact CZ-OD2 2.76Å; R244-D288 IonicContact NE-OD2 2.72Å; R244-D288 IonicContact NH1-OD2 3.28Å; R244-D288 PolarHBondContact NH1-OD2 2.73Å; D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 VanDerWaalsContact O-N 3.1Å; D288-D290 WeakPolarHBondContact OD1-CA 3.17Å; D288-D290 WeakPolarHBondContact OD1-CB 3.42Å; D288-D290 PolarHBondContact OD1-N 3.22Å; D288-G291 WeakPolarHBondContact O-CA 3.48Å; D288-G291 PolarHBondContact O-N 2.87Å; D288-G291 PolarHBondContact OD1-N 3.41Å; D288-R292 PolarHBondContact N-O 3.42Å; D288-R292 WeakPolarHBondContact OD1-CB 3.26Å; D288-R292 PolarHBondContact OD1-N 3.04Å
289	T	98.6	Very high	98.6	Very high	8 Å²	8	20.2 Å²	20.2	5%	0.049	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	-177.3	-161.3	0	0	0	0	113.6	R244 H246 G291 R481 Y483	R244-T289 HydrophobicContact CB-CG2 4.23Å; R244-T289 WeakPolarHBondContact O-CB 3.17Å; R244-T289 WeakPolarHBondContact O-CG2 3.49Å; R244-T289 PolarHBondContact O-N 3.4Å; H246-T289 WeakPolarHBondContact ND1-CB 3.46Å; H246-T289 PolarHBondContact ND1-OG1 3.06Å; T289-G291 VanDerWaalsContact C-N 3.32Å; T289-R481 PolarHBondContact O-NH1 2.97Å; T289-R481 PolarHBondContact OG1-NH1 3.2Å; T289-R481 PolarHBondContact OG1-NH2 3.15Å; T289-R481 VanDerWaalsContact OG1-NH2 3.12Å; T289-Y483 PolarHBondContact O-OH 2.9Å
290	D	98.2	Very high	98.6	Very high	35 Å²	35	20.4 Å²	20.4	19%	0.187	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.2	176.5	-70.9	-19.9	0	0	0	112	D288 K459 Y483	D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 VanDerWaalsContact O-N 3.1Å; D288-D290 WeakPolarHBondContact OD1-CA 3.17Å; D288-D290 WeakPolarHBondContact OD1-CB 3.42Å; D288-D290 PolarHBondContact OD1-N 3.22Å; D290-K459 HydrophobicContact CB-CB 4.38Å; D290-K459 HydrophobicContact CB-CD 3.64Å; D290-K459 WeakPolarHBondContact OD1-CD 3.46Å; D290-K459 IonicContact OD1-NZ 2.71Å; D290-K459 PolarHBondContact OD1-NZ 3.26Å; D290-K459 WeakPolarHBondContact OD2-CD 3.32Å; D290-K459 IonicContact OD2-NZ 2.73Å; D290-K459 PolarHBondContact OD2-NZ 2.91Å; D290-Y483 WeakPolarHBondContact OD1-CE1 3.16Å
291	G	98.2	Very high	98.6	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	95	-0.6	-179.5	0	0	0	0	0	114.6	D288 T289 F454	D288-G291 WeakPolarHBondContact O-CA 3.48Å; D288-G291 PolarHBondContact O-N 2.87Å; D288-G291 PolarHBondContact OD1-N 3.41Å; T289-G291 VanDerWaalsContact C-N 3.32Å; G291-F454 WeakPolarHBondContact O-CA 3.47Å; G291-F454 VanDerWaalsContact O-CB 3.24Å; G291-F454 WeakPolarHBondContact O-CB 3.43Å
292	R	98.2	Very high	98.6	Very high	112 Å²	112	28.1 Å²	28.1	42%	0.423	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-77.7	139.8	-169.3	174.3	178.4	-179.3	-159.4	-4	112.3	P287 D288 E294 M453	P287-R292 WeakPolarHBondContact CA-O 3.42Å; D288-R292 PolarHBondContact N-O 3.42Å; D288-R292 WeakPolarHBondContact OD1-CB 3.26Å; D288-R292 PolarHBondContact OD1-N 3.04Å; R292-E294 IonicContact CZ-OE2 3.68Å; R292-E294 IonicContact NE-OE2 3.86Å; R292-E294 PolarHBondContact NE-OE2 2.84Å; R292-E294 IonicContact NH1-OE2 2.65Å; R292-E294 PolarHBondContact NH1-OE2 3.19Å; R292-E294 IonicContact NH2-OE2 2.6Å; R292-E294 PolarHBondContact NH2-OE2 2.8Å; R292-E294 VanDerWaalsContact NH2-OE2 3.17Å; R292-M453 WeakPolarHBondContact CA-O 3.36Å
293	V	98.7	Very high	98.6	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.147	C	C	.	.			trans	-94.9	130.7	167.7	178.6	0	0	0	0	108.7	Y286 P287 L322 M453 F533	Y286-V293 HydrophobicContact CE2-CG1 3.89Å; P287-V293 HydrophobicContact CB-CG2 4.45Å; P287-V293 HydrophobicContact CG-CG2 4.34Å; V293-L322 HydrophobicContact CG1-CD2 3.75Å; V293-L322 HydrophobicContact CG2-CD1 4.1Å; V293-L322 HydrophobicContact CG2-CD2 3.99Å; V293-M453 HydrophobicContact CB-CB 4.4Å; V293-M453 PolarHBondContact N-O 2.99Å; V293-F533 HydrophobicContact CG1-CB 3.93Å; V293-F533 HydrophobicContact CG1-CD1 3.59Å; V293-F533 HydrophobicContact CG1-CD2 3.86Å; V293-F533 HydrophobicContact CG1-CE1 4.01Å; V293-F533 HydrophobicContact CG1-CE2 4.25Å; V293-F533 HydrophobicContact CG1-CG 3.51Å; V293-F533 HydrophobicContact CG1-CZ 4.31Å
294	E	98.1	Very high	98.6	Very high	29 Å²	29	31.5 Å²	31.5	14%	0.136	16%	0.163	C	C	.	.			trans	-141.6	149.5	-173	-173.7	166.1	114.1	0	0	111.2	R244 R292 F296	R244-E294 IonicContact CZ-OE1 3.63Å; R244-E294 IonicContact CZ-OE2 3.63Å; R244-E294 IonicContact NH1-OE1 3.81Å; R244-E294 IonicContact NH1-OE2 3.75Å; R244-E294 PolarHBondContact NH1-OE2 2.73Å; R244-E294 IonicContact NH2-OE1 3.74Å; R244-E294 PolarHBondContact NH2-OE1 3.37Å; R244-E294 IonicContact NH2-OE2 3.46Å; R292-E294 IonicContact CZ-OE2 3.68Å; R292-E294 IonicContact NE-OE2 3.86Å; R292-E294 PolarHBondContact NE-OE2 2.84Å; R292-E294 IonicContact NH1-OE2 2.65Å; R292-E294 PolarHBondContact NH1-OE2 3.19Å; R292-E294 IonicContact NH2-OE2 2.6Å; R292-E294 PolarHBondContact NH2-OE2 2.8Å; R292-E294 VanDerWaalsContact NH2-OE2 3.17Å; E294-F296 HydrophobicContact CB-CE2 3.99Å; E294-F296 HydrophobicContact CB-CZ 4.05Å; E294-F296 HydrophobicContact CG-CE1 4.45Å; E294-F296 HydrophobicContact CG-CZ 4.34Å; E294-F296 PolarHBondContact O-N 3.25Å; E294-F296 WeakPolarHBondContact OE1-CE1 3.25Å
295	D	98.3	Very high	98.6	Very high	77 Å²	77	38.4 Å²	38.4	41%	0.412	19%	0.193	S	C	.	.			trans	-89	100.2	177.8	-162.9	-36.4	0	0	0	111.3	T297 R323 F533	D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.32Å; D295-T297 VanDerWaalsContact OD1-CB 3.25Å; D295-T297 WeakPolarHBondContact OD1-CB 3.39Å; D295-T297 PolarHBondContact OD1-N 2.86Å; D295-T297 PolarHBondContact OD1-OG1 3.34Å; D295-R323 IonicContact OD1-CZ 3.58Å; D295-R323 IonicContact OD1-NH1 2.75Å; D295-R323 IonicContact OD1-NH2 2.76Å; D295-R323 PolarHBondContact OD1-NH2 2.9Å; D295-R323 IonicContact OD2-CZ 3.68Å; D295-R323 IonicContact OD2-NH1 2.61Å; D295-R323 PolarHBondContact OD2-NH1 3.4Å; D295-R323 IonicContact OD2-NH2 3.23Å; D295-R323 PolarHBondContact OD2-NH2 2.84Å; D295-R323 VanDerWaalsContact OD2-NH2 3.1Å; D295-F533 HydrophobicContact CB-CE1 3.9Å; D295-F533 HydrophobicContact CB-CZ 4.07Å
296	F	98.7	Very high	98.5	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.193	C	C	.	.			trans	-83.4	1.8	-179.8	-67.6	-72.6	0	0	0	114.8	P269 F284 Q285 Y286 E294 A298 L299 V300 F328	P269-F296 HydrophobicContact CG-CE1 4.03Å; F284-F296 HydrophobicContact CB-CD1 4.41Å; F284-F296 HydrophobicContact CB-CE1 4Å; F284-F296 HydrophobicContact CB-CZ 4.27Å; F284-F296 HydrophobicContact CD1-CD1 4.49Å; F284-F296 HydrophobicContact CD2-CB 4.22Å; F284-F296 AromaticContact CD2-CD1 3.72Å; F284-F296 HydrophobicContact CD2-CD1 3.72Å; F284-F296 AromaticContact CD2-CD2 3.55Å; F284-F296 HydrophobicContact CD2-CD2 3.55Å; F284-F296 AromaticContact CD2-CE1 3.87Å; F284-F296 HydrophobicContact CD2-CE1 3.87Å; F284-F296 AromaticContact CD2-CE2 3.69Å; F284-F296 HydrophobicContact CD2-CE2 3.69Å; F284-F296 AromaticContact CD2-CG 3.55Å; F284-F296 HydrophobicContact CD2-CG 3.55Å; F284-F296 AromaticContact CD2-CZ 3.85Å; F284-F296 HydrophobicContact CD2-CZ 3.85Å; F284-F296 HydrophobicContact CE1-CB 4.5Å; F284-F296 HydrophobicContact CE2-CB 3.63Å; F284-F296 HydrophobicContact CE2-CD1 4.03Å; F284-F296 AromaticContact CE2-CD2 3.52Å; F284-F296 HydrophobicContact CE2-CD2 3.52Å; F284-F296 HydrophobicContact CE2-CE2 4.14Å; F284-F296 AromaticContact CE2-CG 3.45Å; F284-F296 HydrophobicContact CE2-CG 3.45Å; F284-F296 VanDerWaalsContact CE2-CG 3.45Å; F284-F296 AromaticContact CG-CD1 3.97Å; F284-F296 HydrophobicContact CG-CD1 3.97Å; F284-F296 HydrophobicContact CG-CE1 4.03Å; F284-F296 HydrophobicContact CG-CG 4.23Å; F284-F296 HydrophobicContact CG-CZ 4.35Å; F284-F296 HydrophobicContact CZ-CB 3.78Å; F284-F296 HydrophobicContact CZ-CG 4.04Å; Q285-F296 WeakPolarHBondContact O-CE2 3.18Å; Y286-F296 HydrophobicContact CD2-CD2 4.14Å; Y286-F296 HydrophobicContact CD2-CE2 4.13Å; E294-F296 HydrophobicContact CB-CE2 3.99Å; E294-F296 HydrophobicContact CB-CZ 4.05Å; E294-F296 HydrophobicContact CG-CE1 4.45Å; E294-F296 HydrophobicContact CG-CZ 4.34Å; E294-F296 PolarHBondContact O-N 3.25Å; E294-F296 WeakPolarHBondContact OE1-CE1 3.25Å; F296-A298 VanDerWaalsContact C-N 3.3Å; F296-A298 PolarHBondContact O-N 2.75Å; F296-L299 HydrophobicContact CD1-CB 4.44Å; F296-L299 HydrophobicContact CD1-CD2 3.78Å; F296-L299 HydrophobicContact CE1-CD2 4.35Å; F296-L299 WeakPolarHBondContact O-CA 3.33Å; F296-L299 WeakPolarHBondContact O-CB 3.35Å; F296-L299 PolarHBondContact O-N 3.09Å; F296-V300 WeakPolarHBondContact O-CG2 3.5Å; F296-V300 PolarHBondContact O-N 2.92Å; F296-F328 HydrophobicContact CB-CD2 4.3Å; F296-F328 HydrophobicContact CB-CE2 4.08Å
297	T	98.7	Very high	98.5	Very high	53 Å²	53	40 Å²	40	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-55.3	-45.7	-176.3	-45.2	0	0	0	0	111.5	D295 L299 V300 D301 R323	D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.32Å; D295-T297 VanDerWaalsContact OD1-CB 3.25Å; D295-T297 WeakPolarHBondContact OD1-CB 3.39Å; D295-T297 PolarHBondContact OD1-N 2.86Å; D295-T297 PolarHBondContact OD1-OG1 3.34Å; T297-L299 PolarHBondContact O-N 2.59Å; T297-V300 PolarHBondContact O-N 3.31Å; T297-D301 WeakPolarHBondContact O-CB 3.29Å; T297-D301 PolarHBondContact O-N 2.59Å; T297-R323 PolarHBondContact OG1-NH2 2.9Å
298	A	98.6	Very high	98.5	Very high	67 Å²	67	39.5 Å²	39.5	55%	0.554	21%	0.209	S	C	*	.	H	α-helix	trans	-72.7	-9.9	178	0	0	0	0	0	114.7	F296 R302	F296-A298 VanDerWaalsContact C-N 3.3Å; F296-A298 PolarHBondContact O-N 2.75Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-NE 2.96Å
299	L	98.8	Very high	98.5	Very high	5 Å²	5	40 Å²	40	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-84.9	-49.5	167.2	175.6	62.9	0	0	0	110.3	P269 M272 F274 V282 F284 F296 T297 D301 R302 A303	P269-L299 HydrophobicContact CB-CD1 4.21Å; P269-L299 HydrophobicContact CB-CD2 4.08Å; P269-L299 HydrophobicContact CG-CD2 4.19Å; M272-L299 HydrophobicContact SD-CD1 3.75Å; F274-L299 HydrophobicContact CE2-CD1 3.76Å; F274-L299 HydrophobicContact CZ-CD1 3.9Å; V282-L299 HydrophobicContact CG2-CD2 4.25Å; F284-L299 HydrophobicContact CB-CD2 4.42Å; F284-L299 HydrophobicContact CD1-CD2 3.58Å; F284-L299 HydrophobicContact CE1-CD2 4.01Å; F284-L299 HydrophobicContact CG-CD2 4.12Å; F296-L299 HydrophobicContact CD1-CB 4.44Å; F296-L299 HydrophobicContact CD1-CD2 3.78Å; F296-L299 HydrophobicContact CE1-CD2 4.35Å; F296-L299 WeakPolarHBondContact O-CA 3.33Å; F296-L299 WeakPolarHBondContact O-CB 3.35Å; F296-L299 PolarHBondContact O-N 3.09Å; T297-L299 PolarHBondContact O-N 2.59Å; L299-D301 VanDerWaalsContact C-N 3.34Å; L299-D301 PolarHBondContact O-N 2.89Å; L299-R302 PolarHBondContact O-N 3.09Å; L299-R302 VanDerWaalsContact O-N 3.14Å; L299-A303 PolarHBondContact O-N 3.05Å
300	V	98.9	Very high	98.5	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-49.1	177.5	178	0	0	0	0	110.5	F284 F296 T297 R302 A303 H304 A310 V330	F284-V300 HydrophobicContact CE1-CG2 4.29Å; F284-V300 HydrophobicContact CZ-CG2 4.07Å; F296-V300 WeakPolarHBondContact O-CG2 3.5Å; F296-V300 PolarHBondContact O-N 2.92Å; T297-V300 PolarHBondContact O-N 3.31Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 2.82Å; V300-A303 WeakPolarHBondContact O-CB 3.43Å; V300-A303 PolarHBondContact O-N 3.35Å; V300-A303 VanDerWaalsContact O-N 3.16Å; V300-H304 VanDerWaalsContact CG1-CE1 3.43Å; V300-H304 WeakPolarHBondContact CG1-CE1 3.42Å; V300-H304 PolarHBondContact O-N 2.92Å; V300-A310 HydrophobicContact CB-CB 4.31Å; V300-A310 HydrophobicContact CG1-CB 4.05Å; V300-A310 HydrophobicContact CG2-CB 3.81Å; V300-V330 HydrophobicContact CG2-CG2 4.17Å
301	D	98.7	Very high	98.5	Very high	73 Å²	73	38 Å²	38	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-52.8	-42.4	175.9	-109.3	33.7	0	0	0	113.4	T297 L299 K305	T297-D301 WeakPolarHBondContact O-CB 3.29Å; T297-D301 PolarHBondContact O-N 2.59Å; L299-D301 VanDerWaalsContact C-N 3.34Å; L299-D301 PolarHBondContact O-N 2.89Å; D301-K305 WeakPolarHBondContact O-CB 3.42Å; D301-K305 WeakPolarHBondContact O-CD 3.45Å; D301-K305 WeakPolarHBondContact O-CG 3.21Å; D301-K305 PolarHBondContact O-N 3.21Å; D301-K305 IonicContact OD2-NZ 2.68Å; D301-K305 PolarHBondContact OD2-NZ 2.87Å
302	R	98.6	Very high	98.6	Very high	90 Å²	90	37.9 Å²	37.9	34%	0.34	20%	0.198	S	C	.	.	H	α-helix	trans	-75.7	-38.2	-179.6	-73.9	-175.2	-62	130.7	5.8	111.8	P269 M272 F274 A298 L299 V300 K305 G306	P269-R302 PolarHBondContact O-NH1 3.48Å; P269-R302 PolarHBondContact O-NH2 3Å; M272-R302 PolarHBondContact O-NH1 3.44Å; F274-R302 HydrophobicContact CD2-CB 4.09Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-NE 2.96Å; L299-R302 PolarHBondContact O-N 3.09Å; L299-R302 VanDerWaalsContact O-N 3.14Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 2.82Å; R302-K305 PolarHBondContact O-N 2.74Å; R302-G306 PolarHBondContact O-N 3.12Å
303	A	98.7	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-50.2	172.6	0	0	0	0	0	110.6	F274 V282 L299 V300 K305 G306 G307 A308	F274-A303 HydrophobicContact CD1-CB 4.12Å; F274-A303 HydrophobicContact CE1-CB 3.77Å; F274-A303 HydrophobicContact CZ-CB 4.01Å; V282-A303 HydrophobicContact CG1-CB 4.05Å; L299-A303 PolarHBondContact O-N 3.05Å; V300-A303 WeakPolarHBondContact O-CB 3.43Å; V300-A303 PolarHBondContact O-N 3.35Å; V300-A303 VanDerWaalsContact O-N 3.16Å; A303-K305 PolarHBondContact O-N 3.15Å; A303-G306 CarbonylContact O-C 3.57Å; A303-G306 WeakPolarHBondContact O-CA 3.24Å; A303-G306 PolarHBondContact O-N 3.03Å; A303-G307 PolarHBondContact O-N 3.24Å; A303-A308 CarbonylContact C-O 3.54Å; A303-A308 VanDerWaalsContact C-O 3.23Å; A303-A308 HydrophobicContact CB-CB 4.2Å; A303-A308 PolarHBondContact O-N 3.11Å
304	H	98.7	Very high	98.6	Very high	71 Å²	71	32.6 Å²	32.6	33%	0.329	18%	0.179	S	C	.	.	H	α-helix	trans	-62.3	-42.6	178.3	-70	176	0	0	0	113.1	V300 G306 G307 G329 D331	V300-H304 VanDerWaalsContact CG1-CE1 3.43Å; V300-H304 WeakPolarHBondContact CG1-CE1 3.42Å; V300-H304 PolarHBondContact O-N 2.92Å; H304-G306 PolarHBondContact O-N 2.98Å; H304-G307 WeakPolarHBondContact O-CA 3.45Å; H304-G307 PolarHBondContact O-N 3.19Å; H304-G329 PolarHBondContact CE1-O 2.64Å; H304-G329 VanDerWaalsContact CE1-O 3.31Å; H304-D331 IonicContact CD2-OD2 2.72Å; H304-D331 IonicContact CE1-OD1 2.76Å; H304-D331 IonicContact CE1-OD2 3.02Å; H304-D331 IonicContact NE2-OD1 3.56Å; H304-D331 PolarHBondContact NE2-OD1 3.37Å; H304-D331 IonicContact NE2-OD2 3.58Å; H304-D331 PolarHBondContact NE2-OD2 2.8Å
305	K	98.3	Very high	98.7	Very high	145 Å²	145	32.2 Å²	32.2	63%	0.63	18%	0.177	S	C	*	.	H	α-helix	trans	-62.4	-28.4	173.8	-72.1	161.2	-163.3	164.2	0	112.4	D301 R302 A303	D301-K305 WeakPolarHBondContact O-CB 3.42Å; D301-K305 WeakPolarHBondContact O-CD 3.45Å; D301-K305 WeakPolarHBondContact O-CG 3.21Å; D301-K305 PolarHBondContact O-N 3.21Å; D301-K305 IonicContact OD2-NZ 2.68Å; D301-K305 PolarHBondContact OD2-NZ 2.87Å; R302-K305 PolarHBondContact O-N 2.74Å; A303-K305 PolarHBondContact O-N 3.15Å
306	G	98	Very high	98.7	Very high	4 Å²	4	28.6 Å²	28.6	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-81.2	-10.8	168.6	0	0	0	0	0	115.1	R236 F274 K277 R302 A303 H304 A308	R236-G306 VanDerWaalsContact CZ-O 3.28Å; R236-G306 PolarHBondContact NH1-O 2.86Å; R236-G306 PolarHBondContact NH2-O 3.17Å; F274-G306 WeakPolarHBondContact O-CA 3.37Å; K277-G306 WeakPolarHBondContact CG-O 3.26Å; R302-G306 PolarHBondContact O-N 3.12Å; A303-G306 CarbonylContact O-C 3.57Å; A303-G306 WeakPolarHBondContact O-CA 3.24Å; A303-G306 PolarHBondContact O-N 3.03Å; H304-G306 PolarHBondContact O-N 2.98Å; G306-A308 VanDerWaalsContact C-N 3.32Å
307	G	98	Very high	98.7	Very high	38 Å²	38	28.6 Å²	28.6	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	16.8	-171.8	0	0	0	0	0	114.8	R236 A303 H304	R236-G307 PolarHBondContact NH1-O 2.91Å; A303-G307 PolarHBondContact O-N 3.24Å; H304-G307 WeakPolarHBondContact O-CA 3.45Å; H304-G307 PolarHBondContact O-N 3.19Å
308	A	98.6	Very high	98.7	Very high	2 Å²	2	26 Å²	26	2%	0.017	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-88.4	152.3	169.5	0	0	0	0	0	109.7	F274 V279 A303 G306	F274-A308 HydrophobicContact CD1-CB 3.81Å; F274-A308 HydrophobicContact CE1-CB 4.1Å; V279-A308 HydrophobicContact CB-CB 4.19Å; V279-A308 HydrophobicContact CG1-CB 4.06Å; V279-A308 VanDerWaalsContact O-CB 3.26Å; V279-A308 WeakPolarHBondContact O-CB 3.24Å; A303-A308 CarbonylContact C-O 3.54Å; A303-A308 VanDerWaalsContact C-O 3.23Å; A303-A308 HydrophobicContact CB-CB 4.2Å; A303-A308 PolarHBondContact O-N 3.11Å; G306-A308 VanDerWaalsContact C-N 3.32Å
309	M	98.7	Very high	98.7	Very high	18 Å²	18	22.9 Å²	22.9	9%	0.089	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	154.4	173.9	-79.6	170.4	-79.1	0	0	112.8	C230 Q233 S280 G281 V282 D331 L360	C230-M309 HydrophobicContact CB-CE 4.1Å; Q233-M309 HydrophobicContact CB-CE 3.68Å; Q233-M309 HydrophobicContact CG-CE 3.67Å; Q233-M309 HydrophobicContact CG-SD 4.41Å; S280-M309 PolarHBondContact O-N 3.18Å; G281-M309 CarbonylContact C-O 3.29Å; G281-M309 WeakPolarHBondContact CA-O 3.44Å; V282-M309 PolarHBondContact N-O 3.45Å; M309-D331 VanDerWaalsContact CA-OD2 3.27Å; M309-D331 WeakPolarHBondContact CA-OD2 3.41Å; M309-D331 HydrophobicContact CB-CB 4.14Å; M309-D331 WeakPolarHBondContact CB-OD2 3.46Å; M309-D331 HydrophobicContact CG-CB 4.1Å; M309-L360 HydrophobicContact SD-CD1 4Å; M309-L360 HydrophobicContact SD-CD2 3.94Å
310	A	98.9	Very high	98.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.6	174.4	0	0	0	0	0	111.3	F284 V300 V330 D331 I332	F284-A310 HydrophobicContact CE1-CB 4.13Å; V300-A310 HydrophobicContact CB-CB 4.31Å; V300-A310 HydrophobicContact CG1-CB 4.05Å; V300-A310 HydrophobicContact CG2-CB 3.81Å; A310-V330 WeakPolarHBondContact O-CG1 3.44Å; A310-D331 PolarHBondContact N-OD2 3.36Å; A310-D331 PolarHBondContact O-N 3.26Å; A310-I332 PolarHBondContact O-N 3.02Å
311	C	98.9	Very high	98.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.8	176.3	-52.7	0	0	0	0	109.6	A226 V282 L283 F284 I332	A226-C311 HydrophobicContact CB-CB 4.27Å; V282-C311 WeakPolarHBondContact O-CB 3.31Å; V282-C311 PolarHBondContact O-N 2.58Å; L283-C311 WeakPolarHBondContact CA-O 3.41Å; L283-C311 HydrophobicContact CD1-CB 3.96Å; F284-C311 PolarHBondContact N-O 3.14Å; C311-I332 CarbonylContact C-O 3.56Å; C311-I332 WeakPolarHBondContact CA-O 3.4Å; C311-I332 HydrophobicContact CB-CB 4.41Å
312	C	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.8	-179.3	-169.2	0	0	0	0	110.6	F284 P325 V330 I332 A333 L334	F284-C312 HydrophobicContact CD2-CB 4.4Å; F284-C312 HydrophobicContact CE2-CB 3.84Å; F284-C312 VanDerWaalsContact CE2-SG 3.58Å; F284-C312 HydrophobicContact CZ-CB 4.15Å; F284-C312 WeakPolarHBondContact O-CA 3.22Å; C312-P325 HydrophobicContact CB-CB 4.27Å; C312-P325 HydrophobicContact CB-CG 4.26Å; C312-V330 HydrophobicContact CB-CG1 3.73Å; C312-V330 HydrophobicContact CB-CG2 4.12Å; C312-I332 PolarHBondContact N-O 3.28Å; C312-A333 WeakPolarHBondContact O-CA 3.14Å; C312-L334 PolarHBondContact O-N 3.19Å
313	A	98.9	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.5	159.8	0	0	0	0	0	109	L283 F284 Q285 Y286 L334	L283-A313 HydrophobicContact CD1-CB 4.38Å; F284-A313 PolarHBondContact O-N 2.8Å; Q285-A313 CarbonylContact C-O 3.5Å; Q285-A313 VanDerWaalsContact CA-O 3.28Å; Q285-A313 WeakPolarHBondContact CA-O 3.4Å; Q285-A313 HydrophobicContact CB-CB 4.15Å; Q285-A313 HydrophobicContact CG-CB 3.77Å; Q285-A313 WeakPolarHBondContact CG-O 3.47Å; Y286-A313 PolarHBondContact N-O 3.39Å; A313-L334 CarbonylContact C-O 3.59Å; A313-L334 VanDerWaalsContact CA-O 3.28Å; A313-L334 WeakPolarHBondContact CA-O 3.24Å; A313-L334 HydrophobicContact CB-CD1 3.9Å
314	T	98.9	Very high	98.7	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.043	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.1	-171.1	-163.6	0	0	0	0	113	Y286 L319 P325 L334 F353	Y286-T314 WeakPolarHBondContact O-CA 3.32Å; Y286-T314 WeakPolarHBondContact O-CB 3.45Å; Y286-T314 PolarHBondContact O-OG1 3.13Å; T314-L319 HydrophobicContact CG2-CD1 3.77Å; T314-P325 HydrophobicContact CG2-CG 4.16Å; T314-L334 PolarHBondContact N-O 3.41Å; T314-F353 HydrophobicContact CG2-CE2 3.92Å; T314-F353 HydrophobicContact CG2-CZ 3.69Å; T314-F353 WeakPolarHBondContact O-CZ 3.35Å
315	D	98.9	Very high	98.7	Very high	20 Å²	20	13.1 Å²	13.1	11%	0.107	7%	0.071	C	C	.	.			trans	-117.6	124.4	-174.3	179.6	-70.7	0	0	0	111.2	L317 A318 L319 R339	D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 2.9Å; D315-L317 WeakPolarHBondContact OD1-CA 3.19Å; D315-L317 WeakPolarHBondContact OD1-CB 3.34Å; D315-L317 PolarHBondContact OD1-N 3.01Å; D315-A318 HydrophobicContact CB-CB 3.92Å; D315-A318 PolarHBondContact O-N 2.92Å; D315-A318 PolarHBondContact OD1-N 2.96Å; D315-L319 WeakPolarHBondContact O-CG 3.43Å; D315-L319 PolarHBondContact O-N 2.71Å; D315-R339 VanDerWaalsContact CG-NH1 3.33Å; D315-R339 WeakPolarHBondContact OD1-CD 3.38Å; D315-R339 IonicContact OD1-NH1 3.45Å; D315-R339 PolarHBondContact OD1-NH1 3.01Å; D315-R339 WeakPolarHBondContact OD2-CD 3.45Å; D315-R339 IonicContact OD2-CZ 2.73Å; D315-R339 IonicContact OD2-NE 3.21Å; D315-R339 IonicContact OD2-NH1 2.62Å; D315-R339 PolarHBondContact OD2-NH1 3.08Å
316	L	98.9	Very high	98.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	-173.9	-60.5	178.4	0	0	0	114.1	M202 I203 I206 T207 C320 F340 F353	M202-L316 HydrophobicContact CE-CD1 4.26Å; I203-L316 HydrophobicContact CD1-CD1 3.55Å; I203-L316 HydrophobicContact CD1-CD2 3.8Å; I203-L316 HydrophobicContact CD1-CG 4.33Å; I206-L316 HydrophobicContact CB-CD2 4.39Å; I206-L316 HydrophobicContact CG2-CB 4.27Å; I206-L316 HydrophobicContact CG2-CD2 3.83Å; T207-L316 HydrophobicContact CG2-CD2 4.34Å; L316-C320 PolarHBondContact O-N 3.01Å; L316-C320 PolarHBondContact O-SG 3.29Å; L316-C320 VanDerWaalsContact O-SG 3.33Å; L316-F340 HydrophobicContact CB-CD1 4.42Å; L316-F340 HydrophobicContact CB-CE1 3.8Å; L316-F340 HydrophobicContact CB-CE2 3.94Å; L316-F340 HydrophobicContact CB-CZ 3.53Å; L316-F340 HydrophobicContact CD1-CD2 4.2Å; L316-F340 HydrophobicContact CD1-CE2 4.16Å; L316-F353 HydrophobicContact CD1-CD1 3.95Å; L316-F353 HydrophobicContact CD1-CE1 4.06Å; L316-F353 HydrophobicContact CD2-CD1 3.93Å; L316-F353 HydrophobicContact CD2-CD2 4.38Å; L316-F353 HydrophobicContact CD2-CE1 3.55Å; L316-F353 HydrophobicContact CD2-CE2 4.03Å; L316-F353 HydrophobicContact CD2-CG 4.33Å; L316-F353 HydrophobicContact CD2-CZ 3.6Å; L316-F353 HydrophobicContact CG-CD1 3.93Å; L316-F353 HydrophobicContact CG-CE1 3.53Å; L316-F353 HydrophobicContact CG-CZ 4.05Å
317	L	98.9	Very high	98.8	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-40	178.6	-169.7	70.8	0	0	0	110.6	D315 L319 C320 R339 F340 I427 A428 F455	D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 2.9Å; D315-L317 WeakPolarHBondContact OD1-CA 3.19Å; D315-L317 WeakPolarHBondContact OD1-CB 3.34Å; D315-L317 PolarHBondContact OD1-N 3.01Å; L317-L319 VanDerWaalsContact C-N 3.25Å; L317-L319 PolarHBondContact O-N 2.87Å; L317-C320 WeakPolarHBondContact O-CB 3.36Å; L317-C320 PolarHBondContact O-N 3.42Å; L317-C320 VanDerWaalsContact O-N 3.08Å; L317-R339 HydrophobicContact CB-CG 4.24Å; L317-F340 HydrophobicContact CB-CE1 4.04Å; L317-F340 HydrophobicContact CD1-CE1 4.14Å; L317-I427 HydrophobicContact CD1-CB 4.26Å; L317-I427 HydrophobicContact CD1-CG2 3.94Å; L317-I427 HydrophobicContact CD2-CG2 4.14Å; L317-A428 HydrophobicContact CD1-CB 3.98Å; L317-A428 HydrophobicContact CG-CB 3.97Å; L317-A428 VanDerWaalsContact O-CB 3.29Å; L317-A428 WeakPolarHBondContact O-CB 3.43Å; L317-F455 HydrophobicContact CB-CE1 4.43Å; L317-F455 HydrophobicContact CB-CZ 4.41Å; L317-F455 HydrophobicContact CD2-CE1 4.3Å; L317-F455 HydrophobicContact CD2-CZ 4.06Å; L317-F455 HydrophobicContact CG-CE1 4.37Å; L317-F455 HydrophobicContact CG-CZ 3.96Å
318	A	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-58.5	-40.9	172.2	0	0	0	0	0	111	P287 D315 C320 V321 L322 F455	P287-A318 HydrophobicContact CG-CB 4.02Å; D315-A318 HydrophobicContact CB-CB 3.92Å; D315-A318 PolarHBondContact O-N 2.92Å; D315-A318 PolarHBondContact OD1-N 2.96Å; A318-C320 PolarHBondContact O-N 3.26Å; A318-V321 WeakPolarHBondContact O-CG2 3.26Å; A318-V321 PolarHBondContact O-N 3.16Å; A318-V321 VanDerWaalsContact O-N 3.11Å; A318-L322 HydrophobicContact CB-CD1 3.93Å; A318-L322 WeakPolarHBondContact O-CB 3.37Å; A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 3.47Å; A318-F455 HydrophobicContact CB-CB 4.16Å; A318-F455 HydrophobicContact CB-CD1 3.48Å; A318-F455 VanDerWaalsContact CB-CD1 3.48Å; A318-F455 HydrophobicContact CB-CD2 4.22Å; A318-F455 HydrophobicContact CB-CE1 3.89Å; A318-F455 HydrophobicContact CB-CG 3.67Å; A318-F455 HydrophobicContact CB-CZ 4.43Å
319	L	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-70.4	-5.5	176.2	-65.9	-165.4	0	0	0	115.2	I206 T207 Y286 T314 D315 L317 V321 L322 P324 P325 R535	I206-L319 HydrophobicContact CG2-CB 3.6Å; I206-L319 HydrophobicContact CG2-CD1 4.29Å; T207-L319 HydrophobicContact CG2-CD1 4.22Å; Y286-L319 HydrophobicContact CD1-CD2 4.06Å; Y286-L319 HydrophobicContact CE1-CD2 3.75Å; T314-L319 HydrophobicContact CG2-CD1 3.77Å; D315-L319 WeakPolarHBondContact O-CG 3.43Å; D315-L319 PolarHBondContact O-N 2.71Å; L317-L319 VanDerWaalsContact C-N 3.25Å; L317-L319 PolarHBondContact O-N 2.87Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-L322 HydrophobicContact CD2-CB 4.11Å; L319-P324 HydrophobicContact CD1-CB 4.11Å; L319-P324 HydrophobicContact CD2-CB 4.3Å; L319-P325 HydrophobicContact CD1-CG 4.3Å; L319-R535 VanDerWaalsContact O-CD 3.27Å; L319-R535 WeakPolarHBondContact O-CD 3.44Å; L319-R535 PolarHBondContact O-NH1 3.29Å
320	C	98.9	Very high	98.8	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-73.5	-18.9	166.9	-63.6	0	0	0	0	112.7	L316 L317 A318 A428 F539	L316-C320 PolarHBondContact O-N 3.01Å; L316-C320 PolarHBondContact O-SG 3.29Å; L316-C320 VanDerWaalsContact O-SG 3.33Å; L317-C320 WeakPolarHBondContact O-CB 3.36Å; L317-C320 PolarHBondContact O-N 3.42Å; L317-C320 VanDerWaalsContact O-N 3.08Å; A318-C320 PolarHBondContact O-N 3.26Å; C320-A428 HydrophobicContact CB-CB 3.84Å; C320-F539 HydrophobicContact CB-CE2 4.2Å; C320-F539 HydrophobicContact CB-CZ 3.79Å
321	V	98.8	Very high	98.8	Very high	4 Å²	4	11 Å²	11	2%	0.024	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-19.8	178.6	-66.1	0	0	0	0	114.3	A318 L319 A428 E429 F455 I528 M529 R535	A318-V321 WeakPolarHBondContact O-CG2 3.26Å; A318-V321 PolarHBondContact O-N 3.16Å; A318-V321 VanDerWaalsContact O-N 3.11Å; L319-V321 VanDerWaalsContact C-N 3.26Å; V321-A428 HydrophobicContact CG1-CB 3.83Å; V321-A428 HydrophobicContact CG2-CB 4.31Å; V321-E429 HydrophobicContact CG1-CG 3.65Å; V321-F455 HydrophobicContact CG2-CD2 3.87Å; V321-F455 HydrophobicContact CG2-CE2 3.73Å; V321-I528 HydrophobicContact CB-CG2 4.35Å; V321-I528 HydrophobicContact CG2-CD1 4.21Å; V321-I528 HydrophobicContact CG2-CG2 4.37Å; V321-I528 VanDerWaalsContact O-CG2 3.32Å; V321-I528 WeakPolarHBondContact O-CG2 3.37Å; V321-M529 HydrophobicContact CB-SD 4.29Å; V321-M529 HydrophobicContact CG1-SD 4.3Å; V321-R535 PolarHBondContact O-N 3.25Å
322	L	98.8	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-90.5	145.1	174	-72.5	172.2	0	0	0	112.4	Y286 P287 V293 A318 L319 I528 F533 R535	Y286-L322 HydrophobicContact CE1-CB 4.08Å; Y286-L322 HydrophobicContact CE1-CD1 4.05Å; P287-L322 HydrophobicContact CG-CD1 3.9Å; V293-L322 HydrophobicContact CG1-CD2 3.75Å; V293-L322 HydrophobicContact CG2-CD1 4.1Å; V293-L322 HydrophobicContact CG2-CD2 3.99Å; A318-L322 HydrophobicContact CB-CD1 3.93Å; A318-L322 WeakPolarHBondContact O-CB 3.37Å; A318-L322 WeakPolarHBondContact O-CG 3.46Å; A318-L322 PolarHBondContact O-N 3.47Å; L319-L322 HydrophobicContact CD2-CB 4.11Å; L322-I528 HydrophobicContact CD1-CD1 4.5Å; L322-I528 HydrophobicContact CD2-CB 4.44Å; L322-I528 HydrophobicContact CD2-CD1 3.69Å; L322-I528 HydrophobicContact CD2-CG1 3.8Å; L322-I528 HydrophobicContact CD2-CG2 3.78Å; L322-I528 HydrophobicContact CG-CD1 3.96Å; L322-I528 HydrophobicContact CG-CG2 4.39Å; L322-F533 CarbonylContact C-O 3.53Å; L322-F533 WeakPolarHBondContact CA-O 3.39Å; L322-F533 HydrophobicContact CD2-CB 3.86Å; L322-R535 WeakPolarHBondContact O-CB 3.49Å
323	R	98.6	Very high	98.8	Very high	33 Å²	33	11 Å²	11	13%	0.125	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-55.8	128	165.3	73.7	174.4	-149.2	-151.3	2.8	108.8	Y286 D295 T297 F328 F533	Y286-R323 VanDerWaalsContact CE1-O 3.23Å; Y286-R323 WeakPolarHBondContact CE1-O 3.34Å; Y286-R323 WeakPolarHBondContact OH-CG 3.37Å; Y286-R323 PolarHBondContact OH-O 3.18Å; D295-R323 IonicContact OD1-CZ 3.58Å; D295-R323 IonicContact OD1-NH1 2.75Å; D295-R323 IonicContact OD1-NH2 2.76Å; D295-R323 PolarHBondContact OD1-NH2 2.9Å; D295-R323 IonicContact OD2-CZ 3.68Å; D295-R323 IonicContact OD2-NH1 2.61Å; D295-R323 PolarHBondContact OD2-NH1 3.4Å; D295-R323 IonicContact OD2-NH2 3.23Å; D295-R323 PolarHBondContact OD2-NH2 2.84Å; D295-R323 VanDerWaalsContact OD2-NH2 3.1Å; T297-R323 PolarHBondContact OG1-NH2 2.9Å; R323-F328 HydrophobicContact CG-CD1 4.35Å; R323-F328 HydrophobicContact CG-CE1 4.49Å; R323-F533 PolarHBondContact N-O 2.99Å
324	P	98.8	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-86.3	164.5	-171.2	36	-41.3	0	0	0	114.5	I206 L319 G326 E327 F328	I206-P324 WeakPolarHBondContact O-CB 3.15Å; L319-P324 HydrophobicContact CD1-CB 4.11Å; L319-P324 HydrophobicContact CD2-CB 4.3Å; P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 2.83Å; P324-E327 VanDerWaalsContact CD-CD 3.46Å; P324-E327 WeakPolarHBondContact CD-OE1 3.49Å; P324-E327 HydrophobicContact CG-CG 4.13Å; P324-E327 WeakPolarHBondContact CG-OE1 3.4Å; P324-E327 PolarHBondContact O-N 2.9Å; P324-F328 VanDerWaalsContact O-CD1 3.29Å; P324-F328 WeakPolarHBondContact O-CD1 3.5Å; P324-F328 WeakPolarHBondContact O-CE1 3Å
325	P	98.8	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-52	-38	-175.2	-31.1	37.3	0	0	0	116.1	C312 T314 L319 E327 F328 G329 V330 A333	C312-P325 HydrophobicContact CB-CB 4.27Å; C312-P325 HydrophobicContact CB-CG 4.26Å; T314-P325 HydrophobicContact CG2-CG 4.16Å; L319-P325 HydrophobicContact CD1-CG 4.3Å; P325-E327 VanDerWaalsContact C-N 3.28Å; P325-E327 PolarHBondContact O-N 2.88Å; P325-F328 HydrophobicContact CB-CZ 4.38Å; P325-F328 HydrophobicContact CG-CZ 4.45Å; P325-F328 CarbonylContact O-C 3.54Å; P325-F328 PolarHBondContact O-N 3.32Å; P325-G329 PolarHBondContact O-N 3.06Å; P325-V330 HydrophobicContact CB-CB 3.75Å; P325-V330 HydrophobicContact CB-CG1 4.03Å; P325-V330 HydrophobicContact CB-CG2 3.86Å; P325-V330 WeakPolarHBondContact O-CB 3.41Å; P325-V330 WeakPolarHBondContact O-CG2 3.48Å; P325-V330 PolarHBondContact O-N 2.76Å; P325-A333 HydrophobicContact CB-CB 4.15Å; P325-A333 HydrophobicContact CG-CB 4.21Å
326	G	98.6	Very high	98.8	Very high	27 Å²	27	10.6 Å²	10.6	28%	0.278	7%	0.066	S	C	.	.	G	3₁₀ helix	trans	-60.6	-34.3	178	0	0	0	0	0	113.7	T207 P324 F328 G329	T207-G326 PolarHBondContact O-N 3.24Å; P324-G326 VanDerWaalsContact C-N 3.3Å; P324-G326 PolarHBondContact O-N 2.83Å; G326-F328 VanDerWaalsContact C-N 3.27Å; G326-F328 PolarHBondContact O-N 2.85Å; G326-G329 PolarHBondContact O-N 3.32Å
327	E	98.7	Very high	98.8	Very high	87 Å²	87	10.6 Å²	10.6	41%	0.407	7%	0.066	S	C	.	.	G	3₁₀ helix	trans	-73.5	-15.7	-179.5	-71.8	174.2	-144.6	0	0	113.4	P324 P325 S537	P324-E327 VanDerWaalsContact CD-CD 3.46Å; P324-E327 WeakPolarHBondContact CD-OE1 3.49Å; P324-E327 HydrophobicContact CG-CG 4.13Å; P324-E327 WeakPolarHBondContact CG-OE1 3.4Å; P324-E327 PolarHBondContact O-N 2.9Å; P325-E327 VanDerWaalsContact C-N 3.28Å; P325-E327 PolarHBondContact O-N 2.88Å; E327-S537 WeakPolarHBondContact OE1-CB 3.26Å; E327-S537 PolarHBondContact OE1-OG 3.48Å
328	F	98.5	Very high	98.8	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.035	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-117	28.8	170.4	57.5	-91.3	0	0	0	113	F284 Y286 F296 R323 P324 P325 G326 V330	F284-F328 HydrophobicContact CE2-CE2 4.17Å; F284-F328 HydrophobicContact CZ-CE2 4.37Å; Y286-F328 HydrophobicContact CD1-CE1 4.42Å; Y286-F328 HydrophobicContact CD1-CZ 4.05Å; Y286-F328 HydrophobicContact CD2-CZ 4.37Å; Y286-F328 AromaticContact CE1-CE1 3.96Å; Y286-F328 HydrophobicContact CE1-CE1 3.96Å; Y286-F328 HydrophobicContact CE1-CZ 4.05Å; Y286-F328 HydrophobicContact CE2-CE1 4.49Å; Y286-F328 HydrophobicContact CE2-CZ 4.38Å; Y286-F328 HydrophobicContact CG-CZ 4.19Å; Y286-F328 AromaticContact CZ-CE1 3.98Å; F296-F328 HydrophobicContact CB-CD2 4.3Å; F296-F328 HydrophobicContact CB-CE2 4.08Å; R323-F328 HydrophobicContact CG-CD1 4.35Å; R323-F328 HydrophobicContact CG-CE1 4.49Å; P324-F328 VanDerWaalsContact O-CD1 3.29Å; P324-F328 WeakPolarHBondContact O-CD1 3.5Å; P324-F328 WeakPolarHBondContact O-CE1 3Å; P325-F328 HydrophobicContact CB-CZ 4.38Å; P325-F328 HydrophobicContact CG-CZ 4.45Å; P325-F328 CarbonylContact O-C 3.54Å; P325-F328 PolarHBondContact O-N 3.32Å; G326-F328 VanDerWaalsContact C-N 3.27Å; G326-F328 PolarHBondContact O-N 2.85Å; F328-V330 HydrophobicContact CD2-CG2 3.83Å; F328-V330 HydrophobicContact CE2-CG2 3.67Å; F328-V330 PolarHBondContact O-N 2.88Å
329	G	98.3	Very high	98.8	Very high	27 Å²	27	10.9 Å²	10.9	28%	0.278	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	8.3	160.3	0	0	0	0	0	116.7	H304 P325 G326 K357	H304-G329 PolarHBondContact CE1-O 2.64Å; H304-G329 VanDerWaalsContact CE1-O 3.31Å; P325-G329 PolarHBondContact O-N 3.06Å; G326-G329 PolarHBondContact O-N 3.32Å; G329-K357 PolarHBondContact O-NZ 2.97Å
330	V	98.8	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.			trans	-57.7	144.2	-179.6	172.8	0	0	0	0	112.1	M209 F284 V300 A310 C312 P325 F328 I332 K357	M209-V330 WeakPolarHBondContact CE-O 3.21Å; F284-V330 HydrophobicContact CZ-CG2 3.86Å; V300-V330 HydrophobicContact CG2-CG2 4.17Å; A310-V330 WeakPolarHBondContact O-CG1 3.44Å; C312-V330 HydrophobicContact CB-CG1 3.73Å; C312-V330 HydrophobicContact CB-CG2 4.12Å; P325-V330 HydrophobicContact CB-CB 3.75Å; P325-V330 HydrophobicContact CB-CG1 4.03Å; P325-V330 HydrophobicContact CB-CG2 3.86Å; P325-V330 WeakPolarHBondContact O-CB 3.41Å; P325-V330 WeakPolarHBondContact O-CG2 3.48Å; P325-V330 PolarHBondContact O-N 2.76Å; F328-V330 HydrophobicContact CD2-CG2 3.83Å; F328-V330 HydrophobicContact CE2-CG2 3.67Å; F328-V330 PolarHBondContact O-N 2.88Å; V330-I332 WeakPolarHBondContact CG1-O 3.43Å; V330-K357 WeakPolarHBondContact O-CE 3.32Å
331	D	98.9	Very high	98.8	Very high	13 Å²	13	11 Å²	11	7%	0.07	7%	0.067	C	C	.	.	S	Bend	trans	-91.2	-31.4	-178.6	-56.2	-62.5	0	0	0	113.3	M209 H304 M309 A310 V356 K357 L360	M209-D331 VanDerWaalsContact CE-O 3.27Å; M209-D331 WeakPolarHBondContact CE-O 3.35Å; H304-D331 IonicContact CD2-OD2 2.72Å; H304-D331 IonicContact CE1-OD1 2.76Å; H304-D331 IonicContact CE1-OD2 3.02Å; H304-D331 IonicContact NE2-OD1 3.56Å; H304-D331 PolarHBondContact NE2-OD1 3.37Å; H304-D331 IonicContact NE2-OD2 3.58Å; H304-D331 PolarHBondContact NE2-OD2 2.8Å; M309-D331 VanDerWaalsContact CA-OD2 3.27Å; M309-D331 WeakPolarHBondContact CA-OD2 3.41Å; M309-D331 HydrophobicContact CB-CB 4.14Å; M309-D331 WeakPolarHBondContact CB-OD2 3.46Å; M309-D331 HydrophobicContact CG-CB 4.1Å; A310-D331 PolarHBondContact N-OD2 3.36Å; A310-D331 PolarHBondContact O-N 3.26Å; D331-V356 WeakPolarHBondContact O-CA 3.29Å; D331-K357 PolarHBondContact O-N 3.36Å; D331-K357 IonicContact OD1-NZ 3.36Å; D331-K357 PolarHBondContact OD1-NZ 2.87Å; D331-L360 HydrophobicContact CB-CD1 4.23Å
332	I	98.9	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.9	179.9	-50.7	-177.9	0	0	0	109.6	A226 L229 A310 C311 C312 V330 L334 F354 A355 V356 L360	A226-I332 HydrophobicContact CB-CD1 4.09Å; A226-I332 HydrophobicContact CB-CG2 3.99Å; L229-I332 HydrophobicContact CB-CD1 4.17Å; L229-I332 HydrophobicContact CD1-CD1 4.14Å; L229-I332 HydrophobicContact CD2-CD1 4.2Å; L229-I332 HydrophobicContact CG-CD1 4.39Å; A310-I332 PolarHBondContact O-N 3.02Å; C311-I332 CarbonylContact C-O 3.56Å; C311-I332 WeakPolarHBondContact CA-O 3.4Å; C311-I332 HydrophobicContact CB-CB 4.41Å; C312-I332 PolarHBondContact N-O 3.28Å; V330-I332 WeakPolarHBondContact CG1-O 3.43Å; I332-L334 HydrophobicContact CG2-CD2 4.31Å; I332-F354 HydrophobicContact CD1-CZ 4.34Å; I332-F354 HydrophobicContact CG2-CD2 4.34Å; I332-F354 HydrophobicContact CG2-CE1 4.02Å; I332-F354 HydrophobicContact CG2-CE2 3.79Å; I332-F354 HydrophobicContact CG2-CZ 3.62Å; I332-A355 CarbonylContact C-O 3.51Å; I332-A355 WeakPolarHBondContact CA-O 3.05Å; I332-V356 HydrophobicContact CG1-CG1 4.13Å; I332-V356 HydrophobicContact CG2-CG1 4.19Å; I332-L360 HydrophobicContact CG1-CD1 4.11Å
333	A	98.9	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.5	170.3	0	0	0	0	0	110.2	T207 M209 C312 P325 A355	T207-A333 HydrophobicContact CG2-CB 4.04Å; M209-A333 HydrophobicContact CG-CB 3.76Å; M209-A333 HydrophobicContact SD-CB 4.33Å; C312-A333 WeakPolarHBondContact O-CA 3.14Å; P325-A333 HydrophobicContact CB-CB 4.15Å; P325-A333 HydrophobicContact CG-CB 4.21Å; A333-A355 PolarHBondContact N-O 3.3Å; A333-A355 PolarHBondContact O-N 3.37Å
334	L	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.5	-175.6	64.8	95.1	0	0	0	112.1	E219 A222 A223 A226 L283 C312 A313 T314 I332 F353 F354	E219-L334 HydrophobicContact CG-CD1 4.3Å; A222-L334 HydrophobicContact CB-CB 4.25Å; A222-L334 HydrophobicContact CB-CD1 4.28Å; A223-L334 HydrophobicContact CB-CD1 3.93Å; A223-L334 HydrophobicContact CB-CD2 4.44Å; A226-L334 HydrophobicContact CB-CD2 3.56Å; L283-L334 HydrophobicContact CD1-CD2 4.47Å; C312-L334 PolarHBondContact O-N 3.19Å; A313-L334 CarbonylContact C-O 3.59Å; A313-L334 VanDerWaalsContact CA-O 3.28Å; A313-L334 WeakPolarHBondContact CA-O 3.24Å; A313-L334 HydrophobicContact CB-CD1 3.9Å; T314-L334 PolarHBondContact N-O 3.41Å; I332-L334 HydrophobicContact CG2-CD2 4.31Å; L334-F353 VanDerWaalsContact C-CZ 3.42Å; L334-F353 VanDerWaalsContact CA-O 3.28Å; L334-F353 WeakPolarHBondContact CA-O 3.19Å; L334-F353 WeakPolarHBondContact CB-O 3.46Å; L334-F353 WeakPolarHBondContact O-CZ 3.49Å; L334-F354 HydrophobicContact CB-CD2 4.22Å
335	G	98.9	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-169.7	178.4	0	0	0	0	0	112.7	A352 F353	G335-A352 CarbonylContact O-C 3.51Å; G335-A352 WeakPolarHBondContact O-CA 3.03Å; G335-A352 WeakPolarHBondContact O-CB 3.47Å; G335-F353 VanDerWaalsContact C-CD1 3.42Å; G335-F353 PolarHBondContact N-O 3.45Å; G335-F353 VanDerWaalsContact O-CD1 3.27Å; G335-F353 WeakPolarHBondContact O-CD1 3.33Å; G335-F353 PolarHBondContact O-N 3.16Å
336	S	98.9	Very high	98.7	Very high	19 Å²	19	10.6 Å²	10.6	13%	0.133	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.9	172.4	-174.1	0	0	0	0	111.5	Q338	S336-Q338 VanDerWaalsContact C-N 3.34Å; S336-Q338 WeakPolarHBondContact OG-CB 3.13Å; S336-Q338 PolarHBondContact OG-N 3.07Å; S336-Q338 VanDerWaalsContact OG-N 3.16Å
337	S	98.9	Very high	98.7	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.007	6%	0.059	C	C	.	.			trans	-94.8	15.9	166.4	76.6	0	0	0	0	113	Y199 R339 F340 A351 A412	Y199-S337 PolarHBondContact OH-OG 2.75Å; S337-R339 PolarHBondContact O-N 3.42Å; S337-F340 PolarHBondContact O-N 3.27Å; S337-A351 PolarHBondContact N-O 2.91Å; S337-A351 PolarHBondContact OG-O 2.87Å; S337-A351 VanDerWaalsContact OG-O 3.05Å; S337-A412 WeakPolarHBondContact OG-CB 3.32Å
338	Q	98.9	Very high	98.7	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-53.1	-177.6	175.9	-89.2	-60.9	0	0	113.1	Y159 S336 F340 V342 H350	Y159-Q338 PolarHBondContact O-NE2 2.68Å; Y159-Q338 PolarHBondContact O-OE1 2.82Å; Y159-Q338 VanDerWaalsContact O-OE1 3.05Å; S336-Q338 VanDerWaalsContact C-N 3.34Å; S336-Q338 WeakPolarHBondContact OG-CB 3.13Å; S336-Q338 PolarHBondContact OG-N 3.07Å; S336-Q338 VanDerWaalsContact OG-N 3.16Å; Q338-F340 PolarHBondContact O-N 3.48Å; Q338-V342 PolarHBondContact NE2-O 3.04Å; Q338-V342 WeakPolarHBondContact O-CA 3.42Å; Q338-V342 WeakPolarHBondContact O-CB 3.29Å; Q338-V342 PolarHBondContact O-N 2.88Å; Q338-H350 HydrophobicContact CB-CB 4.03Å; Q338-H350 WeakPolarHBondContact CG-CD2 3.4Å; Q338-H350 VanDerWaalsContact CG-NE2 3.31Å; Q338-H350 WeakPolarHBondContact CG-NE2 3.43Å
339	R	98.7	Very high	98.7	Very high	8 Å²	8	5.7 Å²	5.7	3%	0.03	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-1.2	-174	79.2	-168.1	-58.6	175.1	2.8	114.6	C161 D315 L317 S337 G341 D456	C161-R339 WeakPolarHBondContact CB-O 3.27Å; D315-R339 VanDerWaalsContact CG-NH1 3.33Å; D315-R339 WeakPolarHBondContact OD1-CD 3.38Å; D315-R339 IonicContact OD1-NH1 3.45Å; D315-R339 PolarHBondContact OD1-NH1 3.01Å; D315-R339 WeakPolarHBondContact OD2-CD 3.45Å; D315-R339 IonicContact OD2-CZ 2.73Å; D315-R339 IonicContact OD2-NE 3.21Å; D315-R339 IonicContact OD2-NH1 2.62Å; D315-R339 PolarHBondContact OD2-NH1 3.08Å; L317-R339 HydrophobicContact CB-CG 4.24Å; S337-R339 PolarHBondContact O-N 3.42Å; R339-G341 VanDerWaalsContact C-N 3.27Å; R339-G341 PolarHBondContact O-N 3.32Å; R339-D456 IonicContact CZ-OD2 2.74Å; R339-D456 IonicContact NH1-OD2 2.69Å; R339-D456 PolarHBondContact NH1-OD2 3.24Å; R339-D456 IonicContact NH2-OD2 2.64Å; R339-D456 PolarHBondContact NH2-OD2 3.47Å
340	F	98.9	Very high	98.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	66.4	166.9	-80	17.7	0	0	0	109.7	M202 I206 L316 L317 S337 Q338 V342 A412 Y415 L424	M202-F340 HydrophobicContact CE-CD2 4.33Å; M202-F340 HydrophobicContact CG-CE2 4.48Å; M202-F340 HydrophobicContact SD-CD2 3.81Å; M202-F340 HydrophobicContact SD-CE2 4Å; I206-F340 HydrophobicContact CD1-CE2 3.65Å; I206-F340 HydrophobicContact CD1-CZ 3.9Å; L316-F340 HydrophobicContact CB-CD1 4.42Å; L316-F340 HydrophobicContact CB-CE1 3.8Å; L316-F340 HydrophobicContact CB-CE2 3.94Å; L316-F340 HydrophobicContact CB-CZ 3.53Å; L316-F340 HydrophobicContact CD1-CD2 4.2Å; L316-F340 HydrophobicContact CD1-CE2 4.16Å; L317-F340 HydrophobicContact CB-CE1 4.04Å; L317-F340 HydrophobicContact CD1-CE1 4.14Å; S337-F340 PolarHBondContact O-N 3.27Å; Q338-F340 PolarHBondContact O-N 3.48Å; F340-V342 PolarHBondContact O-N 2.97Å; F340-A412 HydrophobicContact CB-CB 4.07Å; F340-A412 WeakPolarHBondContact O-CA 3.46Å; F340-Y415 VanDerWaalsContact C-CG 3.46Å; F340-Y415 VanDerWaalsContact CA-CD1 3.43Å; F340-Y415 HydrophobicContact CB-CD1 3.5Å; F340-Y415 HydrophobicContact CB-CE1 3.97Å; F340-Y415 HydrophobicContact CB-CG 4.17Å; F340-Y415 HydrophobicContact CD1-CD1 4.22Å; F340-Y415 AromaticContact CD1-CE1 3.93Å; F340-Y415 HydrophobicContact CD1-CE1 3.93Å; F340-Y415 HydrophobicContact CD2-CD1 4.21Å; F340-Y415 AromaticContact CG-CD1 3.74Å; F340-Y415 HydrophobicContact CG-CD1 3.74Å; F340-Y415 AromaticContact CG-CE1 3.95Å; F340-Y415 HydrophobicContact CG-CE1 3.95Å; F340-Y415 WeakPolarHBondContact O-CB 3.13Å; F340-L424 HydrophobicContact CE1-CD2 4.14Å; F340-L424 HydrophobicContact CE2-CD1 3.97Å; F340-L424 HydrophobicContact CE2-CD2 4.26Å; F340-L424 HydrophobicContact CZ-CD1 4.01Å; F340-L424 HydrophobicContact CZ-CD2 4.01Å
341	G	98.4	Very high	98.7	Very high	2 Å²	2	4.8 Å²	4.8	2%	0.021	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	16.4	170.7	0	0	0	0	0	117	M163 R339 Y415	M163-G341 WeakPolarHBondContact CG-O 3.33Å; R339-G341 VanDerWaalsContact C-N 3.27Å; R339-G341 PolarHBondContact O-N 3.32Å; G341-Y415 VanDerWaalsContact CA-CD2 3.5Å
342	V	98.8	Very high	98.7	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.012	3%	0.027	C	C	.	.			trans	-110.2	123.9	174	-165.4	0	0	0	0	110	C161 Q338 F340 L408 M411	C161-V342 PolarHBondContact SG-O 3.43Å; Q338-V342 PolarHBondContact NE2-O 3.04Å; Q338-V342 WeakPolarHBondContact O-CA 3.42Å; Q338-V342 WeakPolarHBondContact O-CB 3.29Å; Q338-V342 PolarHBondContact O-N 2.88Å; F340-V342 PolarHBondContact O-N 2.97Å; V342-L408 HydrophobicContact CG1-CD1 4.09Å; V342-M411 HydrophobicContact CG1-CE 4.17Å; V342-M411 HydrophobicContact CG2-CB 4.14Å; V342-M411 HydrophobicContact CG2-CE 4.3Å
343	P	97.6	Very high	98.7	Very high	12 Å²	12	4.1 Å²	4.1	8%	0.078	3%	0.027	C	C	.	.			trans	-60.8	162.8	-176	-23.6	33.5	0	0	0	114.6	M163 C345 H350 A597	M163-P343 HydrophobicContact CB-CG 4.36Å; M163-P343 HydrophobicContact SD-CG 3.53Å; M163-P343 VanDerWaalsContact SD-CG 3.53Å; P343-C345 PolarHBondContact O-N 2.86Å; P343-C345 PolarHBondContact O-SG 2.78Å; P343-C345 VanDerWaalsContact O-SG 3.35Å; P343-H350 PolarHBondContact O-NE2 3.38Å; P343-A597 HydrophobicContact CB-CB 3.96Å; P343-A597 VanDerWaalsContact CB-O 3.27Å; P343-A597 WeakPolarHBondContact CB-O 3.23Å; P343-A597 HydrophobicContact CG-CB 4.41Å
344	L	98.8	Very high	98.7	Very high	5 Å²	5	4.1 Å²	4.1	3%	0.026	3%	0.027	C	C	.	.			trans	-59.3	-31.1	-176.8	-69.1	168.1	0	0	0	114	N160 Y346 G347 H350 A597 I599 H600	N160-L344 HydrophobicContact CB-CD1 4.14Å; L344-Y346 PolarHBondContact O-N 3.43Å; L344-G347 PolarHBondContact O-N 3.11Å; L344-G347 VanDerWaalsContact O-N 3.12Å; L344-H350 PolarHBondContact O-CE1 2.84Å; L344-H350 VanDerWaalsContact O-CE1 3.26Å; L344-A597 PolarHBondContact N-O 3.1Å; L344-A597 VanDerWaalsContact N-O 3.12Å; L344-I599 WeakPolarHBondContact CB-O 3.28Å; L344-H600 HydrophobicContact CD1-CB 4.19Å
345	C	98.4	Very high	98.7	Very high	10 Å²	10	4.1 Å²	4.1	7%	0.068	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	49.5	26.1	170.6	-68.5	0	0	0	0	115.9	P343 G347 G348 A597 A829	P343-C345 PolarHBondContact O-N 2.86Å; P343-C345 PolarHBondContact O-SG 2.78Å; P343-C345 VanDerWaalsContact O-SG 3.35Å; C345-G347 PolarHBondContact O-N 2.76Å; C345-G347 VanDerWaalsContact O-N 3.09Å; C345-G348 VanDerWaalsContact CB-O 3.23Å; C345-G348 WeakPolarHBondContact CB-O 3.49Å; C345-G348 PolarHBondContact O-N 2.72Å; C345-G348 VanDerWaalsContact O-O 3.06Å; C345-A597 PolarHBondContact N-O 2.69Å; C345-A829 HydrophobicContact CB-CB 3.53Å; C345-A829 PolarHBondContact O-N 2.58Å
346	Y	98.9	Very high	98.7	Very high	1 Å²	1	4.1 Å²	4.1	0%	0.004	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	46.3	37.3	-173.5	-163.6	-126.7	0	0	0	113.6	L344 I599 H600 P601 V603 A608 Y611 F615 W825 S828	L344-Y346 PolarHBondContact O-N 3.43Å; Y346-I599 VanDerWaalsContact CA-O 3.22Å; Y346-I599 WeakPolarHBondContact CA-O 3.34Å; Y346-I599 HydrophobicContact CD2-CB 4.13Å; Y346-I599 HydrophobicContact CD2-CG2 3.59Å; Y346-I599 HydrophobicContact CE2-CG2 4.09Å; Y346-I599 HydrophobicContact CG-CG2 4.36Å; Y346-I599 PolarHBondContact N-O 3.4Å; Y346-H600 VanDerWaalsContact CD2-O 3.32Å; Y346-H600 WeakPolarHBondContact CD2-O 3.41Å; Y346-P601 WeakPolarHBondContact CE2-O 3.4Å; Y346-V603 HydrophobicContact CE2-CG2 3.97Å; Y346-A608 HydrophobicContact CE1-CB 4.31Å; Y346-A608 HydrophobicContact CE2-CB 4.04Å; Y346-A608 WeakPolarHBondContact OH-CB 3.47Å; Y346-Y611 VanDerWaalsContact CB-CZ 3.49Å; Y346-Y611 AromaticContact CD1-CD1 3.92Å; Y346-Y611 HydrophobicContact CD1-CD1 3.92Å; Y346-Y611 AromaticContact CD1-CD2 3.46Å; Y346-Y611 HydrophobicContact CD1-CD2 3.46Å; Y346-Y611 VanDerWaalsContact CD1-CD2 3.46Å; Y346-Y611 HydrophobicContact CD1-CE1 4.17Å; Y346-Y611 AromaticContact CD1-CE2 3.75Å; Y346-Y611 HydrophobicContact CD1-CE2 3.75Å; Y346-Y611 AromaticContact CD1-CG 3.54Å; Y346-Y611 HydrophobicContact CD1-CG 3.54Å; Y346-Y611 HydrophobicContact CD2-CD2 4.45Å; Y346-Y611 HydrophobicContact CE1-CD2 4.02Å; Y346-Y611 AromaticContact CE1-CG 3.93Å; Y346-Y611 HydrophobicContact CE1-CG 3.93Å; Y346-Y611 AromaticContact CG-CD2 3.71Å; Y346-Y611 HydrophobicContact CG-CD2 3.71Å; Y346-Y611 AromaticContact CG-CE2 3.64Å; Y346-Y611 HydrophobicContact CG-CE2 3.64Å; Y346-Y611 HydrophobicContact CG-CG 4.27Å; Y346-F615 HydrophobicContact CD1-CZ 4.02Å; Y346-F615 AromaticContact CE1-CE2 3.96Å; Y346-F615 HydrophobicContact CE1-CE2 3.96Å; Y346-F615 AromaticContact CE1-CZ 3.88Å; Y346-F615 HydrophobicContact CE1-CZ 3.88Å; Y346-W825 AromaticContact CE1-CE3 3.72Å; Y346-W825 HydrophobicContact CE1-CE3 3.72Å; Y346-W825 AromaticContact CE1-CZ3 3.94Å; Y346-W825 HydrophobicContact CE1-CZ3 3.94Å; Y346-W825 AromaticContact CZ-CZ3 3.88Å; Y346-W825 VanDerWaalsContact OH-CZ3 3.29Å; Y346-W825 WeakPolarHBondContact OH-CZ3 3.36Å; Y346-S828 WeakPolarHBondContact O-CB 3.41Å; Y346-S828 PolarHBondContact O-OG 2.78Å
347	G	98.6	Very high	98.7	Very high	7 Å²	7	6 Å²	6	7%	0.072	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	122.8	-20	175.2	0	0	0	0	0	115.9	Y158 L344 C345 H350 A823 G826	Y158-G347 PolarHBondContact OH-O 2.81Å; L344-G347 PolarHBondContact O-N 3.11Å; L344-G347 VanDerWaalsContact O-N 3.12Å; C345-G347 PolarHBondContact O-N 2.76Å; C345-G347 VanDerWaalsContact O-N 3.09Å; G347-H350 PolarHBondContact O-ND1 3.39Å; G347-A823 VanDerWaalsContact CA-CB 3.47Å; G347-G826 CarbonylContact C-O 3.53Å
348	G	98.5	Very high	98.5	Very high	2 Å²	2	10.6 Å²	10.6	2%	0.021	6%	0.058	C	C	.	.			trans	162.5	175.2	177.1	0	0	0	0	0	114	C345 S827 S828 A829	C345-G348 VanDerWaalsContact CB-O 3.23Å; C345-G348 WeakPolarHBondContact CB-O 3.49Å; C345-G348 PolarHBondContact O-N 2.72Å; C345-G348 VanDerWaalsContact O-O 3.06Å; G348-S827 VanDerWaalsContact C-CA 3.41Å; G348-S827 CarbonylContact O-C 3.55Å; G348-S827 VanDerWaalsContact O-CA 3.26Å; G348-S827 WeakPolarHBondContact O-CA 3.43Å; G348-S828 PolarHBondContact O-N 2.98Å; G348-A829 PolarHBondContact O-N 2.81Å
349	P	98.5	Very high	98.3	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.058	9%	0.089	C	C	.	.			cis	-86.7	145.2	18.1	32.8	-35.5	0	0	0	113.6	L408 P785 I830	P349-L408 HydrophobicContact CB-CD2 3.71Å; P349-L408 HydrophobicContact CB-CG 4.1Å; P349-L408 HydrophobicContact CG-CD1 4.22Å; P349-L408 HydrophobicContact CG-CD2 3.88Å; P349-L408 HydrophobicContact CG-CG 4.13Å; P349-P785 HydrophobicContact CB-CB 3.56Å; P349-P785 HydrophobicContact CB-CG 4.39Å; P349-P785 HydrophobicContact CG-CB 3.82Å; P349-P785 HydrophobicContact CG-CG 4.1Å; P349-I830 HydrophobicContact CB-CD1 4.41Å; P349-I830 HydrophobicContact CG-CD1 4.16Å; P349-I830 HydrophobicContact CG-CG2 4.08Å
350	H	98.8	Very high	98.3	Very high	7 Å²	7	16.1 Å²	16.1	3%	0.032	9%	0.088	C	C	.	.			trans	-140.2	141.5	175.3	-54.7	128	0	0	0	109.1	Y158 Q338 P343 L344 G347 Q405	Y158-H350 AromaticContact CD1-CE1 3.8Å; Y158-H350 AromaticContact CD1-ND1 3.95Å; Y158-H350 AromaticContact CE1-CE1 3.67Å; Y158-H350 AromaticContact CE1-ND1 3.5Å; Q338-H350 HydrophobicContact CB-CB 4.03Å; Q338-H350 WeakPolarHBondContact CG-CD2 3.4Å; Q338-H350 VanDerWaalsContact CG-NE2 3.31Å; Q338-H350 WeakPolarHBondContact CG-NE2 3.43Å; P343-H350 PolarHBondContact O-NE2 3.38Å; L344-H350 PolarHBondContact O-CE1 2.84Å; L344-H350 VanDerWaalsContact O-CE1 3.26Å; G347-H350 PolarHBondContact O-ND1 3.39Å; H350-Q405 VanDerWaalsContact O-CG 3.24Å; H350-Q405 WeakPolarHBondContact O-CG 3.45Å; H350-Q405 PolarHBondContact O-NE2 2.97Å
351	A	98.9	Very high	98.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-76.6	126.1	170.9	0	0	0	0	0	110.5	Y199 S337 Q405 L408 A409	Y199-A351 HydrophobicContact CE2-CB 4.42Å; S337-A351 PolarHBondContact N-O 2.91Å; S337-A351 PolarHBondContact OG-O 2.87Å; S337-A351 VanDerWaalsContact OG-O 3.05Å; A351-Q405 HydrophobicContact CB-CB 3.92Å; A351-L408 HydrophobicContact CB-CB 4.14Å; A351-A409 HydrophobicContact CB-CB 3.84Å
352	A	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.8	165.4	0	0	0	0	0	110	S215 L216 D218 A222 G335	S215-A352 CarbonylContact C-O 3.53Å; S215-A352 WeakPolarHBondContact CA-O 3.4Å; L216-A352 HydrophobicContact CB-CB 4.19Å; L216-A352 PolarHBondContact N-O 2.76Å; L216-A352 PolarHBondContact O-N 2.97Å; D218-A352 VanDerWaalsContact O-CB 3.27Å; D218-A352 WeakPolarHBondContact O-CB 3.36Å; A222-A352 HydrophobicContact CB-CB 4.17Å; G335-A352 CarbonylContact O-C 3.51Å; G335-A352 WeakPolarHBondContact O-CA 3.03Å; G335-A352 WeakPolarHBondContact O-CB 3.47Å
353	F	98.9	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151.2	176.2	66.9	-92	0	0	0	111.2	I203 T207 T314 L316 L334 G335	I203-F353 HydrophobicContact CB-CB 4.47Å; I203-F353 HydrophobicContact CD1-CB 3.4Å; I203-F353 VanDerWaalsContact CD1-CB 3.4Å; I203-F353 HydrophobicContact CD1-CD1 4.11Å; I203-F353 HydrophobicContact CD1-CD2 4.28Å; I203-F353 HydrophobicContact CD1-CG 3.71Å; I203-F353 HydrophobicContact CG1-CB 3.68Å; I203-F353 HydrophobicContact CG1-CG 4.39Å; I203-F353 HydrophobicContact CG2-CB 3.91Å; I203-F353 HydrophobicContact CG2-CD2 3.8Å; I203-F353 HydrophobicContact CG2-CG 4.17Å; T207-F353 HydrophobicContact CG2-CD2 4.21Å; T207-F353 HydrophobicContact CG2-CE2 3.74Å; T314-F353 HydrophobicContact CG2-CE2 3.92Å; T314-F353 HydrophobicContact CG2-CZ 3.69Å; T314-F353 WeakPolarHBondContact O-CZ 3.35Å; L316-F353 HydrophobicContact CD1-CD1 3.95Å; L316-F353 HydrophobicContact CD1-CE1 4.06Å; L316-F353 HydrophobicContact CD2-CD1 3.93Å; L316-F353 HydrophobicContact CD2-CD2 4.38Å; L316-F353 HydrophobicContact CD2-CE1 3.55Å; L316-F353 HydrophobicContact CD2-CE2 4.03Å; L316-F353 HydrophobicContact CD2-CG 4.33Å; L316-F353 HydrophobicContact CD2-CZ 3.6Å; L316-F353 HydrophobicContact CG-CD1 3.93Å; L316-F353 HydrophobicContact CG-CE1 3.53Å; L316-F353 HydrophobicContact CG-CZ 4.05Å; L334-F353 VanDerWaalsContact C-CZ 3.42Å; L334-F353 VanDerWaalsContact CA-O 3.28Å; L334-F353 WeakPolarHBondContact CA-O 3.19Å; L334-F353 WeakPolarHBondContact CB-O 3.46Å; L334-F353 WeakPolarHBondContact O-CZ 3.49Å; G335-F353 VanDerWaalsContact C-CD1 3.42Å; G335-F353 PolarHBondContact N-O 3.45Å; G335-F353 VanDerWaalsContact O-CD1 3.27Å; G335-F353 WeakPolarHBondContact O-CD1 3.33Å; G335-F353 PolarHBondContact O-N 3.16Å
354	F	98.9	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	119.9	177.1	-169.4	-81.4	0	0	0	108.9	A212 N213 L216 A222 E225 A226 L229 I332 L334 V356 M364 P365	A212-F354 WeakPolarHBondContact CA-O 3.36Å; N213-F354 PolarHBondContact N-O 3.13Å; L216-F354 HydrophobicContact CD1-CB 3.71Å; L216-F354 HydrophobicContact CD1-CD2 3.64Å; L216-F354 HydrophobicContact CD1-CE2 4.44Å; L216-F354 HydrophobicContact CD1-CG 3.85Å; L216-F354 HydrophobicContact CG-CB 4.2Å; A222-F354 HydrophobicContact CB-CD2 4.35Å; A222-F354 WeakPolarHBondContact O-CE2 3.32Å; E225-F354 HydrophobicContact CB-CE2 4.18Å; A226-F354 HydrophobicContact CB-CE2 3.85Å; A226-F354 HydrophobicContact CB-CZ 4.32Å; L229-F354 HydrophobicContact CD1-CE1 3.83Å; L229-F354 HydrophobicContact CD1-CZ 3.83Å; I332-F354 HydrophobicContact CD1-CZ 4.34Å; I332-F354 HydrophobicContact CG2-CD2 4.34Å; I332-F354 HydrophobicContact CG2-CE1 4.02Å; I332-F354 HydrophobicContact CG2-CE2 3.79Å; I332-F354 HydrophobicContact CG2-CZ 3.62Å; L334-F354 HydrophobicContact CB-CD2 4.22Å; F354-V356 HydrophobicContact CD1-CG1 3.99Å; F354-V356 HydrophobicContact CE1-CG1 3.47Å; F354-V356 VanDerWaalsContact CE1-CG1 3.47Å; F354-V356 HydrophobicContact CZ-CG1 4.36Å; F354-M364 HydrophobicContact CD1-SD 3.55Å; F354-M364 VanDerWaalsContact CD1-SD 3.55Å; F354-M364 HydrophobicContact CE1-SD 3.88Å; F354-P365 HydrophobicContact CD1-CG 4.02Å; F354-P365 HydrophobicContact CD2-CG 4.49Å; F354-P365 HydrophobicContact CE1-CG 3.89Å; F354-P365 HydrophobicContact CE2-CG 4.36Å; F354-P365 HydrophobicContact CG-CG 4.31Å; F354-P365 HydrophobicContact CZ-CG 4.07Å
355	A	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.6	-177.3	0	0	0	0	0	111.9	I203 M209 V211 A212 I332 A333	I203-A355 HydrophobicContact CG2-CB 3.85Å; M209-A355 HydrophobicContact CB-CB 3.71Å; M209-A355 HydrophobicContact CG-CB 4.05Å; V211-A355 CarbonylContact O-C 3.47Å; V211-A355 WeakPolarHBondContact O-CA 3.42Å; V211-A355 WeakPolarHBondContact O-CB 3.24Å; A212-A355 HydrophobicContact CB-CB 3.85Å; I332-A355 CarbonylContact C-O 3.51Å; I332-A355 WeakPolarHBondContact CA-O 3.05Å; A333-A355 PolarHBondContact N-O 3.3Å; A333-A355 PolarHBondContact O-N 3.37Å
356	V	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.5	-168.4	-57.5	0	0	0	0	112.1	P210 V211 L229 D331 I332 F354 L360 M364	P210-V356 VanDerWaalsContact CD-O 3.31Å; P210-V356 WeakPolarHBondContact CD-O 3.41Å; P210-V356 WeakPolarHBondContact CG-O 3.14Å; V211-V356 PolarHBondContact N-O 3.06Å; V211-V356 PolarHBondContact O-N 3.09Å; L229-V356 HydrophobicContact CD1-CG1 4.2Å; D331-V356 WeakPolarHBondContact O-CA 3.29Å; I332-V356 HydrophobicContact CG1-CG1 4.13Å; I332-V356 HydrophobicContact CG2-CG1 4.19Å; F354-V356 HydrophobicContact CD1-CG1 3.99Å; F354-V356 HydrophobicContact CE1-CG1 3.47Å; F354-V356 VanDerWaalsContact CE1-CG1 3.47Å; F354-V356 HydrophobicContact CZ-CG1 4.36Å; V356-L360 HydrophobicContact CB-CB 3.99Å; V356-L360 HydrophobicContact CB-CD1 4.3Å; V356-L360 HydrophobicContact CG2-CB 4.05Å; V356-M364 HydrophobicContact CG1-SD 4.32Å; V356-M364 HydrophobicContact CG2-CE 3.69Å; V356-M364 HydrophobicContact CG2-SD 4.26Å
357	K	98.1	Very high	98.1	Very high	58 Å²	58	26.6 Å²	26.6	25%	0.252	13%	0.127	S	C	.	.			trans	-65	149.3	164.3	-69.7	176.6	-179.5	158.9	0	111.4	M209 G329 V330 D331 N359 L360	M209-K357 HydrophobicContact CE-CG 4.13Å; G329-K357 PolarHBondContact O-NZ 2.97Å; V330-K357 WeakPolarHBondContact O-CE 3.32Å; D331-K357 PolarHBondContact O-N 3.36Å; D331-K357 IonicContact OD1-NZ 3.36Å; D331-K357 PolarHBondContact OD1-NZ 2.87Å; K357-N359 VanDerWaalsContact CB-OD1 3.31Å; K357-N359 WeakPolarHBondContact CB-OD1 3.48Å; K357-N359 PolarHBondContact O-N 3.37Å; K357-N359 VanDerWaalsContact O-N 3.12Å; K357-L360 WeakPolarHBondContact O-CB 3.36Å; K357-L360 PolarHBondContact O-N 2.87Å
358	D	94.5	Very high	98.1	Very high	98 Å²	98	26.2 Å²	26.2	52%	0.524	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-53.4	-39	-173.6	-56	-71.3	0	0	0	113.8	P210 V211 L360 V361	P210-D358 WeakPolarHBondContact CB-OD1 3.38Å; P210-D358 VanDerWaalsContact CG-OD2 3.26Å; P210-D358 WeakPolarHBondContact CG-OD2 3.38Å; V211-D358 WeakPolarHBondContact CG2-OD1 3.42Å; D358-L360 PolarHBondContact O-N 2.92Å; D358-V361 WeakPolarHBondContact O-CB 3.46Å; D358-V361 VanDerWaalsContact O-CG1 3.24Å; D358-V361 WeakPolarHBondContact O-CG1 3.37Å; D358-V361 PolarHBondContact O-N 3.43Å; D358-V361 VanDerWaalsContact O-N 3.07Å
359	N	96.1	Very high	98.1	Very high	122 Å²	122	26.1 Å²	26.1	65%	0.652	12%	0.123	S	C	*	.	G	3₁₀ helix	trans	-63.4	-12.7	179.1	66	-20	0	0	0	114.1	K357	K357-N359 VanDerWaalsContact CB-OD1 3.31Å; K357-N359 WeakPolarHBondContact CB-OD1 3.48Å; K357-N359 PolarHBondContact O-N 3.37Å; K357-N359 VanDerWaalsContact O-N 3.12Å
360	L	97.9	Very high	98.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-99.6	-9.7	176.3	-57.3	-178.1	0	0	0	113.8	L229 Q233 M309 D331 I332 V356 K357 D358 R362 M363	L229-L360 HydrophobicContact CD2-CB 4.3Å; L229-L360 HydrophobicContact CD2-CD1 4.2Å; L229-L360 HydrophobicContact CD2-CD2 4.14Å; L229-L360 HydrophobicContact CD2-CG 4.45Å; Q233-L360 HydrophobicContact CG-CD2 4.43Å; M309-L360 HydrophobicContact SD-CD1 4Å; M309-L360 HydrophobicContact SD-CD2 3.94Å; D331-L360 HydrophobicContact CB-CD1 4.23Å; I332-L360 HydrophobicContact CG1-CD1 4.11Å; V356-L360 HydrophobicContact CB-CB 3.99Å; V356-L360 HydrophobicContact CB-CD1 4.3Å; V356-L360 HydrophobicContact CG2-CB 4.05Å; K357-L360 WeakPolarHBondContact O-CB 3.36Å; K357-L360 PolarHBondContact O-N 2.87Å; D358-L360 PolarHBondContact O-N 2.92Å; L360-R362 PolarHBondContact O-N 2.87Å; L360-M363 HydrophobicContact CB-CE 4.34Å; L360-M363 HydrophobicContact CD2-CE 3.6Å; L360-M363 PolarHBondContact O-N 3.41Å
361	V	97.3	Very high	98	Very high	14 Å²	14	25.8 Å²	25.8	9%	0.085	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32.3	-170.1	74.7	0	0	0	0	113.9	V211 D358 M363 M364 M368 L385 L1018	V211-V361 HydrophobicContact CB-CG2 4.45Å; V211-V361 HydrophobicContact CG1-CG2 3.82Å; D358-V361 WeakPolarHBondContact O-CB 3.46Å; D358-V361 VanDerWaalsContact O-CG1 3.24Å; D358-V361 WeakPolarHBondContact O-CG1 3.37Å; D358-V361 PolarHBondContact O-N 3.43Å; D358-V361 VanDerWaalsContact O-N 3.07Å; V361-M363 PolarHBondContact O-N 3.34Å; V361-M363 VanDerWaalsContact O-N 3.13Å; V361-M364 WeakPolarHBondContact O-CB 3.29Å; V361-M364 PolarHBondContact O-N 3.5Å; V361-M364 VanDerWaalsContact O-N 3.11Å; V361-M368 HydrophobicContact CG2-CE 3.63Å; V361-M368 HydrophobicContact CG2-SD 3.89Å; V361-L385 HydrophobicContact CG1-CD1 4.49Å; V361-L385 HydrophobicContact CG2-CD1 4.45Å; V361-L1018 HydrophobicContact CG1-CD2 4Å; V361-L1018 HydrophobicContact CG2-CD2 4.04Å
362	R	96.8	Very high	98	Very high	199 Å²	199	25.9 Å²	25.9	75%	0.751	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-67.7	-9.9	177.1	-68.1	-174.8	173.8	-166.9	-2.2	114.1	L360	L360-R362 PolarHBondContact O-N 2.87Å
363	M	97.9	Very high	97.8	Very high	28 Å²	28	30.7 Å²	30.7	14%	0.138	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-112.3	5.6	175.6	-61.3	175.7	-74.9	0	0	113.4	L229 R232 Q233 L360 V361	L229-M363 HydrophobicContact CD1-CB 4.37Å; L229-M363 HydrophobicContact CD2-CB 4.16Å; L229-M363 HydrophobicContact CD2-CE 3.93Å; L229-M363 HydrophobicContact CD2-SD 4.32Å; L229-M363 HydrophobicContact CG-CB 3.93Å; R232-M363 HydrophobicContact CB-SD 4.27Å; R232-M363 PolarHBondContact NH2-O 2.91Å; R232-M363 VanDerWaalsContact NH2-O 3.08Å; Q233-M363 HydrophobicContact CB-CE 3.88Å; Q233-M363 HydrophobicContact CB-SD 3.86Å; Q233-M363 HydrophobicContact CG-CE 4.13Å; L360-M363 HydrophobicContact CB-CE 4.34Å; L360-M363 HydrophobicContact CD2-CE 3.6Å; L360-M363 PolarHBondContact O-N 3.41Å; V361-M363 PolarHBondContact O-N 3.34Å; V361-M363 VanDerWaalsContact O-N 3.13Å
364	M	98.4	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.			trans	-55.4	127.7	179.5	-173.7	69.7	101.7	0	0	111.2	V211 N213 F354 V356 V361 M368 R388 T398	V211-M364 HydrophobicContact CG1-CE 4Å; N213-M364 HydrophobicContact CB-CE 4.11Å; N213-M364 HydrophobicContact CB-CG 3.9Å; N213-M364 HydrophobicContact CB-SD 3.87Å; F354-M364 HydrophobicContact CD1-SD 3.55Å; F354-M364 VanDerWaalsContact CD1-SD 3.55Å; F354-M364 HydrophobicContact CE1-SD 3.88Å; V356-M364 HydrophobicContact CG1-SD 4.32Å; V356-M364 HydrophobicContact CG2-CE 3.69Å; V356-M364 HydrophobicContact CG2-SD 4.26Å; V361-M364 WeakPolarHBondContact O-CB 3.29Å; V361-M364 PolarHBondContact O-N 3.5Å; V361-M364 VanDerWaalsContact O-N 3.11Å; M364-M368 HydrophobicContact CE-SD 4.26Å; M364-M368 HydrophobicContact CG-SD 4.43Å; M364-R388 PolarHBondContact O-NH1 3.07Å; M364-T398 WeakPolarHBondContact O-CB 3.4Å; M364-T398 PolarHBondContact O-OG1 3.4Å
365	P	98.3	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	-73.9	145.4	172.9	32.7	-36.8	0	0	0	111.5	N213 L216 E225 F354	N213-P365 PolarHBondContact ND2-O 2.7Å; L216-P365 HydrophobicContact CD1-CG 3.98Å; L216-P365 HydrophobicContact CD2-CB 4.11Å; L216-P365 HydrophobicContact CD2-CG 4.1Å; E225-P365 HydrophobicContact CB-CB 4.28Å; E225-P365 HydrophobicContact CB-CG 4.06Å; E225-P365 HydrophobicContact CG-CB 4.04Å; E225-P365 HydrophobicContact CG-CG 4.33Å; F354-P365 HydrophobicContact CD1-CG 4.02Å; F354-P365 HydrophobicContact CD2-CG 4.49Å; F354-P365 HydrophobicContact CE1-CG 3.89Å; F354-P365 HydrophobicContact CE2-CG 4.36Å; F354-P365 HydrophobicContact CG-CG 4.31Å; F354-P365 HydrophobicContact CZ-CG 4.07Å
366	G	97.6	Very high	97.2	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.205	C	C	.	.	S	Bend	trans	70.6	-169.4	173	0	0	0	0	0	115.9	R388 I401	G366-R388 PolarHBondContact O-NH1 3.48Å; G366-R388 PolarHBondContact O-NH2 3.08Å; G366-I401 VanDerWaalsContact CA-CG2 3.46Å
367	R	98.6	Very high	96.9	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.026	23%	0.233	C	C	.	.			trans	-68.6	155	-179.3	-87.1	179	-66	-68.1	4.1	112.3	N213 A214 L383 E389 C402 G783	N213-R367 WeakPolarHBondContact CB-O 3.22Å; A214-R367 HydrophobicContact CB-CB 3.99Å; A214-R367 PolarHBondContact N-O 2.74Å; R367-L383 HydrophobicContact CB-CD2 4.15Å; R367-L383 HydrophobicContact CG-CD1 4.02Å; R367-L383 HydrophobicContact CG-CD2 3.98Å; R367-E389 WeakPolarHBondContact CG-OE1 3.45Å; R367-E389 WeakPolarHBondContact CG-OE2 3.44Å; R367-E389 IonicContact NH1-OE2 3.5Å; R367-C402 VanDerWaalsContact CZ-O 3.25Å; R367-C402 PolarHBondContact NH1-O 2.89Å; R367-C402 PolarHBondContact NH2-O 2.91Å; R367-G783 PolarHBondContact NH2-O 3.04Å
368	M	98.5	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.			trans	-148.1	127.9	171.3	-169.4	172.4	70.6	0	0	107.7	V211 V361 M364 L383 A384 L385 L1018 C1020	V211-M368 HydrophobicContact CG1-CE 4.49Å; V211-M368 HydrophobicContact CG1-SD 3.45Å; V211-M368 WeakPolarHBondContact CG1-SD 3.25Å; V361-M368 HydrophobicContact CG2-CE 3.63Å; V361-M368 HydrophobicContact CG2-SD 3.89Å; M364-M368 HydrophobicContact CE-SD 4.26Å; M364-M368 HydrophobicContact CG-SD 4.43Å; M368-L383 CarbonylContact O-C 3.57Å; M368-L383 WeakPolarHBondContact O-CA 3.48Å; M368-A384 PolarHBondContact O-N 3.25Å; M368-L385 HydrophobicContact CE-CD1 4.19Å; M368-L1018 HydrophobicContact CE-CD1 4.08Å; M368-L1018 HydrophobicContact CE-CD2 4.35Å; M368-C1020 WeakPolarHBondContact CE-SG 3.4Å; M368-C1020 HydrophobicContact CG-CB 4.4Å; M368-C1020 HydrophobicContact SD-CB 4.4Å
369	V	98.8	Very high	96.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.7	170.9	-175.8	0	0	0	0	108.5	L193 L196 L197 Q200 R382 L383 C1020	L193-V369 HydrophobicContact CD2-CG1 4.21Å; L193-V369 HydrophobicContact CD2-CG2 3.89Å; L196-V369 HydrophobicContact CB-CG2 3.63Å; L197-V369 HydrophobicContact CB-CB 4.49Å; L197-V369 HydrophobicContact CB-CG1 4.11Å; L197-V369 HydrophobicContact CD1-CB 4.39Å; L197-V369 HydrophobicContact CD1-CG1 4.22Å; Q200-V369 PolarHBondContact NE2-O 3.28Å; V369-R382 CarbonylContact C-O 3.52Å; V369-R382 WeakPolarHBondContact CA-O 3.41Å; V369-L383 HydrophobicContact CG2-CD2 4.39Å; V369-C1020 PolarHBondContact O-SG 2.87Å
370	G	98.1	Very high	96.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153	168.1	0	0	0	0	0	111.2	R382 V1019	G370-R382 PolarHBondContact N-O 2.9Å; G370-R382 PolarHBondContact O-N 3.21Å; G370-V1019 CarbonylContact C-O 3.58Å; G370-V1019 WeakPolarHBondContact CA-O 3.44Å
371	V	97.9	Very high	96.7	Very high	8 Å²	8	37 Å²	37	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144.2	172	-172.7	0	0	0	0	109.3	L197 E379 Y381 V1019 P1023	L197-V371 HydrophobicContact CD2-CG2 4Å; V371-E379 HydrophobicContact CG1-CG 3.25Å; V371-E379 WeakPolarHBondContact CG1-OE2 3.16Å; V371-Y381 HydrophobicContact CG2-CD1 4.33Å; V371-Y381 HydrophobicContact CG2-CE1 4.4Å; V371-V1019 HydrophobicContact CB-CB 4.11Å; V371-V1019 HydrophobicContact CB-CG1 4.34Å; V371-V1019 HydrophobicContact CG2-CB 4.17Å; V371-V1019 HydrophobicContact CG2-CG1 3.89Å; V371-V1019 PolarHBondContact N-O 3.28Å; V371-P1023 HydrophobicContact CG1-CG 4.41Å; V371-P1023 HydrophobicContact CG2-CG 4.14Å
372	T	97.8	Very high	96.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-167.2	171.9	-167.7	0	0	0	0	108.9	E379 V380 R382 I1009 D1010 G1014	T372-E379 WeakPolarHBondContact O-CA 3.48Å; T372-V380 HydrophobicContact CG2-CG2 3.89Å; T372-V380 PolarHBondContact N-O 2.83Å; T372-V380 PolarHBondContact O-N 3.28Å; T372-V380 VanDerWaalsContact O-O 3.05Å; T372-R382 HydrophobicContact CG2-CB 4.4Å; T372-R382 HydrophobicContact CG2-CG 3.85Å; T372-I1009 HydrophobicContact CG2-CD1 3.35Å; T372-I1009 HydrophobicContact CG2-CG1 3.88Å; T372-D1010 PolarHBondContact OG1-O 3.32Å; T372-G1014 PolarHBondContact OG1-N 3.44Å; T372-G1014 VanDerWaalsContact OG1-N 3.09Å
373	R	95.9	Very high	96.9	Very high	101 Å²	101	27.5 Å²	27.5	38%	0.381	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	159.9	172.9	66.7	-170.3	178.2	-171	-2.1	112.5	K378 D1010 Y1013	R373-K378 CarbonylContact C-O 3.56Å; R373-K378 WeakPolarHBondContact CA-O 3.31Å; R373-D1010 HydrophobicContact CG-CB 3.8Å; R373-D1010 IonicContact CZ-OD2 3.6Å; R373-D1010 VanDerWaalsContact CZ-OD2 3.24Å; R373-D1010 IonicContact NE-OD2 3.78Å; R373-D1010 PolarHBondContact NE-OD2 3.49Å; R373-D1010 IonicContact NH2-OD2 2.87Å; R373-D1010 PolarHBondContact NH2-OD2 2.86Å; R373-D1010 VanDerWaalsContact O-CB 3.32Å; R373-D1010 WeakPolarHBondContact O-CB 3.4Å; R373-D1010 PolarHBondContact O-N 3.13Å; R373-Y1013 HydrophobicContact CG-CD1 3.95Å; R373-Y1013 HydrophobicContact CG-CE1 4.42Å; R373-Y1013 HydrophobicContact CG-CG 4.2Å; R373-Y1013 VanDerWaalsContact CZ-CD2 3.43Å
374	D	97.1	Very high	96.8	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.032	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-92.4	177	164.7	83.7	-9.5	0	0	0	112	A376 G377 K378 V380 I1006 S1007 R1008	D374-A376 PolarHBondContact O-N 2.88Å; D374-A376 VanDerWaalsContact O-N 3.16Å; D374-A376 VanDerWaalsContact OD1-CA 3.31Å; D374-A376 WeakPolarHBondContact OD1-CA 3.41Å; D374-A376 WeakPolarHBondContact OD1-CB 3.36Å; D374-A376 PolarHBondContact OD1-N 3.42Å; D374-G377 PolarHBondContact O-N 3.08Å; D374-G377 PolarHBondContact OD1-N 2.77Å; D374-G377 VanDerWaalsContact OD1-N 3.08Å; D374-K378 PolarHBondContact N-O 3.43Å; D374-K378 WeakPolarHBondContact OD1-CB 3.37Å; D374-K378 PolarHBondContact OD1-N 2.81Å; D374-V380 HydrophobicContact CB-CG1 4.15Å; D374-V380 HydrophobicContact CB-CG2 4.23Å; D374-I1006 HydrophobicContact CB-CB 4.48Å; D374-S1007 WeakPolarHBondContact OD2-CA 3.35Å; D374-S1007 WeakPolarHBondContact OD2-CB 3.46Å; D374-S1007 PolarHBondContact OD2-N 2.96Å; D374-S1007 PolarHBondContact OD2-OG 2.85Å; D374-R1008 CarbonylContact C-O 3.52Å; D374-R1008 WeakPolarHBondContact CA-O 3.47Å
375	A	94.7	Very high	96.7	Very high	85 Å²	85	27.2 Å²	27.2	70%	0.702	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.3	177.7	0	0	0	0	0	115	R1008	A375-R1008 HydrophobicContact CB-CB 4.38Å; A375-R1008 PolarHBondContact N-O 2.93Å
376	A	92.3	Very high	96.6	Very high	78 Å²	78	29 Å²	29	65%	0.645	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	1.4	170.7	0	0	0	0	0	112.5	D374 K378	D374-A376 PolarHBondContact O-N 2.88Å; D374-A376 VanDerWaalsContact O-N 3.16Å; D374-A376 VanDerWaalsContact OD1-CA 3.31Å; D374-A376 WeakPolarHBondContact OD1-CA 3.41Å; D374-A376 WeakPolarHBondContact OD1-CB 3.36Å; D374-A376 PolarHBondContact OD1-N 3.42Å; A376-K378 VanDerWaalsContact C-N 3.32Å
377	G	92.7	Very high	96.5	Very high	57 Å²	57	31.8 Å²	31.8	59%	0.588	19%	0.19	S	C	*	.	S	Bend	trans	81.3	5.2	-178	0	0	0	0	0	114.6	D374	D374-G377 PolarHBondContact O-N 3.08Å; D374-G377 PolarHBondContact OD1-N 2.77Å; D374-G377 VanDerWaalsContact OD1-N 3.08Å
378	K	93.1	Very high	96.4	Very high	113 Å²	113	31.6 Å²	31.6	49%	0.491	19%	0.19	S	C	.	.			trans	-72.2	140.6	177.1	179.4	-173.4	170.9	-177.4	0	110.1	R373 D374 A376 V380 I1006	R373-K378 CarbonylContact C-O 3.56Å; R373-K378 WeakPolarHBondContact CA-O 3.31Å; D374-K378 PolarHBondContact N-O 3.43Å; D374-K378 WeakPolarHBondContact OD1-CB 3.37Å; D374-K378 PolarHBondContact OD1-N 2.81Å; A376-K378 VanDerWaalsContact C-N 3.32Å; K378-V380 HydrophobicContact CD-CG1 4.46Å; K378-V380 HydrophobicContact CG-CG1 4.33Å; K378-I1006 HydrophobicContact CD-CG2 4.49Å
379	E	93.8	Very high	96.3	Very high	58 Å²	58	32 Å²	32	27%	0.271	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136	174.2	-161.8	-174.2	72.4	0	0	112.4	V371 T372 P1023 V1027	V371-E379 HydrophobicContact CG1-CG 3.25Å; V371-E379 WeakPolarHBondContact CG1-OE2 3.16Å; T372-E379 WeakPolarHBondContact O-CA 3.48Å; E379-P1023 WeakPolarHBondContact OE1-CG 3.49Å; E379-V1027 HydrophobicContact CB-CG1 3.43Å; E379-V1027 VanDerWaalsContact CB-CG1 3.43Å; E379-V1027 VanDerWaalsContact CD-CG1 3.49Å; E379-V1027 HydrophobicContact CG-CG1 4.08Å; E379-V1027 WeakPolarHBondContact OE1-CB 3.33Å; E379-V1027 WeakPolarHBondContact OE1-CG1 3.37Å
380	V	97.8	Very high	95.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	171.5	-166.6	-61.7	0	0	0	0	111.3	T372 D374 K378 I1006 I1009	T372-V380 HydrophobicContact CG2-CG2 3.89Å; T372-V380 PolarHBondContact N-O 2.83Å; T372-V380 PolarHBondContact O-N 3.28Å; T372-V380 VanDerWaalsContact O-O 3.05Å; D374-V380 HydrophobicContact CB-CG1 4.15Å; D374-V380 HydrophobicContact CB-CG2 4.23Å; K378-V380 HydrophobicContact CD-CG1 4.46Å; K378-V380 HydrophobicContact CG-CG1 4.33Å; V380-I1006 HydrophobicContact CB-CD1 3.78Å; V380-I1006 HydrophobicContact CB-CG2 4.36Å; V380-I1006 HydrophobicContact CG1-CB 3.83Å; V380-I1006 HydrophobicContact CG1-CD1 3.75Å; V380-I1006 HydrophobicContact CG1-CG1 4.39Å; V380-I1006 HydrophobicContact CG1-CG2 3.38Å; V380-I1006 HydrophobicContact CG2-CD1 4.11Å; V380-I1009 HydrophobicContact CB-CD1 4.38Å; V380-I1009 HydrophobicContact CG2-CD1 3.41Å; V380-I1009 VanDerWaalsContact CG2-CD1 3.41Å
381	Y	98.4	Very high	95.2	Very high	14 Å²	14	34.4 Å²	34.4	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.2	-174.7	-45.4	-51	0	0	0	113	Q190 L193 E194 L197 V371 Y1028	Q190-Y381 PolarHBondContact NE2-O 3.26Å; L193-Y381 HydrophobicContact CB-CD2 4.48Å; E194-Y381 HydrophobicContact CB-CD2 3.97Å; E194-Y381 HydrophobicContact CB-CE2 3.66Å; E194-Y381 HydrophobicContact CG-CE2 3.85Å; L197-Y381 HydrophobicContact CD2-CD1 3.66Å; L197-Y381 HydrophobicContact CD2-CE1 3.53Å; L197-Y381 HydrophobicContact CD2-CG 4.47Å; V371-Y381 HydrophobicContact CG2-CD1 4.33Å; V371-Y381 HydrophobicContact CG2-CE1 4.4Å; Y381-Y1028 WeakPolarHBondContact OH-CE1 3.5Å; Y381-Y1028 VanDerWaalsContact OH-CZ 3.24Å; Y381-Y1028 PolarHBondContact OH-OH 2.98Å
382	R	98.6	Very high	94.8	Very high	13 Å²	13	38.3 Å²	38.3	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	171.8	168	68.3	172.5	-123.7	108	2.2	111.9	P186 V369 G370 T372 Q386 I1009 D1011 D1015	P186-R382 HydrophobicContact CB-CB 4.46Å; P186-R382 HydrophobicContact CG-CB 4.14Å; V369-R382 CarbonylContact C-O 3.52Å; V369-R382 WeakPolarHBondContact CA-O 3.41Å; G370-R382 PolarHBondContact N-O 2.9Å; G370-R382 PolarHBondContact O-N 3.21Å; T372-R382 HydrophobicContact CG2-CB 4.4Å; T372-R382 HydrophobicContact CG2-CG 3.85Å; R382-Q386 VanDerWaalsContact NH1-NE2 3.18Å; R382-I1009 HydrophobicContact CB-CD1 4.18Å; R382-I1009 HydrophobicContact CB-CG1 4.02Å; R382-D1011 WeakPolarHBondContact CD-OD1 3.39Å; R382-D1011 IonicContact CZ-OD1 2.77Å; R382-D1011 PolarHBondContact NE-O 3.33Å; R382-D1011 IonicContact NE-OD1 3.54Å; R382-D1011 IonicContact NH1-OD1 2.66Å; R382-D1011 PolarHBondContact NH1-OD1 2.92Å; R382-D1011 IonicContact NH1-OD2 2.89Å; R382-D1011 PolarHBondContact NH2-O 2.67Å; R382-D1015 IonicContact CZ-OD1 2.77Å; R382-D1015 IonicContact NE-OD1 2.75Å; R382-D1015 IonicContact NH2-OD1 3.9Å; R382-D1015 PolarHBondContact NH2-OD1 3.35Å; R382-D1015 IonicContact NH2-OD2 3.5Å
383	L	98.4	Very high	94.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.5	163.7	-62.3	177.2	0	0	0	109.3	T182 P183 L193 R367 M368 V369 Q386	T182-L383 HydrophobicContact CG2-CD1 4.01Å; P183-L383 HydrophobicContact CG-CD1 4.13Å; P183-L383 HydrophobicContact CG-CD2 4.1Å; P183-L383 HydrophobicContact CG-CG 4.13Å; L193-L383 HydrophobicContact CD2-CD2 4.07Å; L193-L383 HydrophobicContact CD2-CG 4.35Å; R367-L383 HydrophobicContact CB-CD2 4.15Å; R367-L383 HydrophobicContact CG-CD1 4.02Å; R367-L383 HydrophobicContact CG-CD2 3.98Å; M368-L383 CarbonylContact O-C 3.57Å; M368-L383 WeakPolarHBondContact O-CA 3.48Å; V369-L383 HydrophobicContact CG2-CD2 4.39Å; L383-Q386 HydrophobicContact CB-CG 3.83Å; L383-Q386 WeakPolarHBondContact O-CG 3.28Å; L383-Q386 PolarHBondContact O-NE2 3.08Å
384	A	96.8	Very high	94.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.			trans	-106.1	150.5	-171.4	0	0	0	0	0	113.5	M368 Q386 R388 L1018	M368-A384 PolarHBondContact O-N 3.25Å; A384-Q386 PolarHBondContact O-N 2.99Å; A384-R388 PolarHBondContact O-NH2 3.4Å; A384-L1018 HydrophobicContact CB-CD1 3.95Å
385	L	96.3	Very high	93.7	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.115	25%	0.246	C	C	.	.			trans	52.6	37	-177	-60.3	-179.7	0	0	0	113.1	V361 M368 T387 R388 D1015 L1018	V361-L385 HydrophobicContact CG1-CD1 4.49Å; V361-L385 HydrophobicContact CG2-CD1 4.45Å; M368-L385 HydrophobicContact CE-CD1 4.19Å; L385-T387 PolarHBondContact O-N 2.72Å; L385-R388 HydrophobicContact CB-CG 4.47Å; L385-R388 VanDerWaalsContact CB-NE 3.34Å; L385-R388 WeakPolarHBondContact O-CB 3.48Å; L385-R388 WeakPolarHBondContact O-CG 3.35Å; L385-R388 PolarHBondContact O-N 3.03Å; L385-R388 PolarHBondContact O-NE 2.9Å; L385-D1015 VanDerWaalsContact CA-OD2 3.29Å; L385-D1015 WeakPolarHBondContact CA-OD2 3.33Å; L385-D1015 HydrophobicContact CD2-CB 4.21Å; L385-D1015 PolarHBondContact N-OD1 2.81Å; L385-D1015 PolarHBondContact N-OD2 2.73Å; L385-L1018 HydrophobicContact CD1-CD1 4.1Å; L385-L1018 HydrophobicContact CD1-CD2 3.73Å; L385-L1018 HydrophobicContact CG-CD1 3.99Å; L385-L1018 HydrophobicContact CG-CD2 4.48Å
386	Q	96	Very high	93.6	Very high	37 Å²	37	46.7 Å²	46.7	17%	0.173	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-57.5	-20.3	-175.4	-69.3	179.6	63.6	0	0	113.3	R382 L383 A384 R388 E389 I392	R382-Q386 VanDerWaalsContact NH1-NE2 3.18Å; L383-Q386 HydrophobicContact CB-CG 3.83Å; L383-Q386 WeakPolarHBondContact O-CG 3.28Å; L383-Q386 PolarHBondContact O-NE2 3.08Å; A384-Q386 PolarHBondContact O-N 2.99Å; Q386-R388 PolarHBondContact O-N 2.86Å; Q386-E389 WeakPolarHBondContact O-CB 3.25Å; Q386-E389 PolarHBondContact O-N 3.32Å; Q386-I392 HydrophobicContact CB-CD1 4.19Å
387	T	94.4	Very high	93.8	Very high	62 Å²	62	43.4 Å²	43.4	38%	0.38	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-60.1	-9.5	172.6	70	0	0	0	0	114.4	L385 I392 R393	L385-T387 PolarHBondContact O-N 2.72Å; T387-I392 HydrophobicContact CG2-CD1 4.38Å; T387-I392 HydrophobicContact CG2-CG2 4.39Å; T387-R393 WeakPolarHBondContact O-CD 3.34Å; T387-R393 WeakPolarHBondContact O-CG 3.44Å; T387-R393 PolarHBondContact O-NE 3.41Å
388	R	97.4	Very high	94	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.011	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-72.2	-25.7	168.3	-67.7	173.4	-62.1	101.7	7.4	113.3	M364 G366 A384 L385 Q386 A397 T398	M364-R388 PolarHBondContact O-NH1 3.07Å; G366-R388 PolarHBondContact O-NH1 3.48Å; G366-R388 PolarHBondContact O-NH2 3.08Å; A384-R388 PolarHBondContact O-NH2 3.4Å; L385-R388 HydrophobicContact CB-CG 4.47Å; L385-R388 VanDerWaalsContact CB-NE 3.34Å; L385-R388 WeakPolarHBondContact O-CB 3.48Å; L385-R388 WeakPolarHBondContact O-CG 3.35Å; L385-R388 PolarHBondContact O-N 3.03Å; L385-R388 PolarHBondContact O-NE 2.9Å; Q386-R388 PolarHBondContact O-N 2.86Å; R388-A397 CarbonylContact O-C 3.56Å; R388-A397 WeakPolarHBondContact O-CA 3.28Å; R388-T398 HydrophobicContact CB-CG2 3.81Å; R388-T398 HydrophobicContact CG-CG2 4.07Å; R388-T398 PolarHBondContact O-N 2.95Å; R388-T398 PolarHBondContact O-OG1 3.21Å
389	E	95.6	Very high	94.2	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.037	17%	0.17	C	C	.	.	S	Bend	trans	-89.8	160.9	-164.2	-63.2	-177.4	-135.1	0	0	113.8	R367 Q386 H391 I392 R393	R367-E389 WeakPolarHBondContact CG-OE1 3.45Å; R367-E389 WeakPolarHBondContact CG-OE2 3.44Å; R367-E389 IonicContact NH1-OE2 3.5Å; Q386-E389 WeakPolarHBondContact O-CB 3.25Å; Q386-E389 PolarHBondContact O-N 3.32Å; E389-H391 VanDerWaalsContact C-N 3.26Å; E389-H391 PolarHBondContact O-N 3.19Å; E389-H391 IonicContact OE2-CE1 3.85Å; E389-I392 PolarHBondContact O-N 3.05Å; E389-R393 PolarHBondContact O-N 2.94Å
390	Q	88.6	Confident	94.4	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-52.4	-38.8	-174.6	62	79.3	9.5	0	0	113.9	I392 R394 A397 C402 H671 G672 T673	Q390-I392 VanDerWaalsContact C-N 3.29Å; Q390-I392 PolarHBondContact O-N 3.15Å; Q390-R394 WeakPolarHBondContact O-CA 3.3Å; Q390-R394 PolarHBondContact O-N 2.77Å; Q390-A397 HydrophobicContact CB-CB 4.46Å; Q390-C402 HydrophobicContact CG-CB 4.23Å; Q390-C402 PolarHBondContact NE2-SG 2.98Å; Q390-H671 PolarHBondContact NE2-CE1 2.86Å; Q390-H671 PolarHBondContact NE2-NE2 2.71Å; Q390-G672 WeakPolarHBondContact O-CA 3.31Å; Q390-T673 HydrophobicContact CB-CG2 4.41Å; Q390-T673 HydrophobicContact CG-CG2 3.8Å; Q390-T673 VanDerWaalsContact OE1-N 3.08Å
391	H	86.4	Confident	94.4	Very high	50 Å²	50	34 Å²	34	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-70.9	-23	-172	65.6	-89.6	0	0	0	113.3	E389	E389-H391 VanDerWaalsContact C-N 3.26Å; E389-H391 PolarHBondContact O-N 3.19Å; E389-H391 IonicContact OE2-CE1 3.85Å
392	I	89.1	Confident	94.3	Very high	89 Å²	89	33.9 Å²	33.9	46%	0.456	16%	0.162	S	C	.	.	H	α-helix	trans	-100	-45.5	172.7	-72.5	160.8	0	0	0	111.4	Q386 T387 E389 Q390	Q386-I392 HydrophobicContact CB-CD1 4.19Å; T387-I392 HydrophobicContact CG2-CD1 4.38Å; T387-I392 HydrophobicContact CG2-CG2 4.39Å; E389-I392 PolarHBondContact O-N 3.05Å; Q390-I392 VanDerWaalsContact C-N 3.29Å; Q390-I392 PolarHBondContact O-N 3.15Å
393	R	89.9	Confident	94.2	Very high	112 Å²	112	33.5 Å²	33.5	42%	0.423	16%	0.161	S	C	.	.	H	α-helix	trans	-100.3	-9.1	-168.2	-95.1	-166.7	-158.7	174.5	12.2	116.8	T387 E389 D395 K396 A397	T387-R393 WeakPolarHBondContact O-CD 3.34Å; T387-R393 WeakPolarHBondContact O-CG 3.44Å; T387-R393 PolarHBondContact O-NE 3.41Å; E389-R393 PolarHBondContact O-N 2.94Å; R393-D395 PolarHBondContact O-N 3.49Å; R393-K396 HydrophobicContact CB-CB 4.36Å; R393-K396 WeakPolarHBondContact CD-O 3.29Å; R393-K396 HydrophobicContact CG-CB 4.48Å; R393-K396 WeakPolarHBondContact O-CA 3.49Å; R393-K396 WeakPolarHBondContact O-CB 3.3Å; R393-K396 PolarHBondContact O-N 3.38Å; R393-A397 HydrophobicContact CB-CB 4.2Å
394	R	93.9	Very high	94.2	Very high	57 Å²	57	33.5 Å²	33.5	22%	0.215	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	50.6	-122.2	175.5	-58.8	-177.8	73.8	82.2	-3.1	111.5	Q390 K396 A397 K668 A670 P675	Q390-R394 WeakPolarHBondContact O-CA 3.3Å; Q390-R394 PolarHBondContact O-N 2.77Å; R394-K396 PolarHBondContact O-N 3.11Å; R394-A397 WeakPolarHBondContact O-CB 3.24Å; R394-A397 PolarHBondContact O-N 2.89Å; R394-A397 VanDerWaalsContact O-N 3.13Å; R394-K668 PolarHBondContact NH2-O 3.36Å; R394-A670 VanDerWaalsContact CZ-O 3.28Å; R394-A670 PolarHBondContact NH1-O 3.36Å; R394-A670 PolarHBondContact NH2-O 3.04Å; R394-P675 HydrophobicContact CB-CB 4.47Å; R394-P675 HydrophobicContact CB-CG 3.68Å; R394-P675 HydrophobicContact CG-CG 4.33Å
395	D	84.4	Confident	94.3	Very high	54 Å²	54	33.6 Å²	33.6	29%	0.289	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-59.2	-9.3	176.1	59.5	-66.9	0	0	0	115.2	R393 P675 Q679	R393-D395 PolarHBondContact O-N 3.49Å; D395-P675 HydrophobicContact CB-CB 4.18Å; D395-Q679 PolarHBondContact O-NE2 3.14Å
396	K	91.9	Very high	94.4	Very high	147 Å²	147	32.6 Å²	32.6	64%	0.639	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-113.5	11	-178.9	-61.3	167.4	-169	165.5	0	112.9	R393 R394	R393-K396 HydrophobicContact CB-CB 4.36Å; R393-K396 WeakPolarHBondContact CD-O 3.29Å; R393-K396 HydrophobicContact CG-CB 4.48Å; R393-K396 WeakPolarHBondContact O-CA 3.49Å; R393-K396 WeakPolarHBondContact O-CB 3.3Å; R393-K396 PolarHBondContact O-N 3.38Å; R394-K396 PolarHBondContact O-N 3.11Å
397	A	95.9	Very high	94.5	Very high	9 Å²	9	31 Å²	31	7%	0.074	15%	0.149	C	C	.	.	S	Bend	trans	-66.9	164.5	176.5	0	0	0	0	0	111.6	R388 Q390 R393 R394 S399	R388-A397 CarbonylContact O-C 3.56Å; R388-A397 WeakPolarHBondContact O-CA 3.28Å; Q390-A397 HydrophobicContact CB-CB 4.46Å; R393-A397 HydrophobicContact CB-CB 4.2Å; R394-A397 WeakPolarHBondContact O-CB 3.24Å; R394-A397 PolarHBondContact O-N 2.89Å; R394-A397 VanDerWaalsContact O-N 3.13Å; A397-S399 VanDerWaalsContact C-N 3.33Å; A397-S399 WeakPolarHBondContact CB-O 3.45Å
398	T	97.3	Very high	94.8	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.055	13%	0.132	C	C	.	.	S	Bend	trans	-74.5	-26.1	174.5	54.9	0	0	0	0	112.4	R232 M364 R388	R232-T398 PolarHBondContact NH1-O 3.43Å; R232-T398 PolarHBondContact NH2-O 3.48Å; M364-T398 WeakPolarHBondContact O-CB 3.4Å; M364-T398 PolarHBondContact O-OG1 3.4Å; R388-T398 HydrophobicContact CB-CG2 3.81Å; R388-T398 HydrophobicContact CG-CG2 4.07Å; R388-T398 PolarHBondContact O-N 2.95Å; R388-T398 PolarHBondContact O-OG1 3.21Å
399	S	98.3	Very high	94.8	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.063	13%	0.132	C	C	.	.			trans	-158.9	166.3	176.5	178.2	0	0	0	0	108.9	E225 A397 I401	E225-S399 VanDerWaalsContact OE1-CB 3.23Å; E225-S399 WeakPolarHBondContact OE1-CB 3.3Å; E225-S399 PolarHBondContact OE1-OG 3.35Å; A397-S399 VanDerWaalsContact C-N 3.33Å; A397-S399 WeakPolarHBondContact CB-O 3.45Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact OG-N 3.29Å
400	N	98	Very high	95	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	-82.3	-6.8	170.1	73.7	-19.2	0	0	0	113.2	C402 A639 T673 A676 S677 M680	N400-C402 PolarHBondContact O-N 2.91Å; N400-A639 HydrophobicContact CB-CB 4.29Å; N400-A639 PolarHBondContact ND2-O 3.25Å; N400-A639 WeakPolarHBondContact O-CB 3.22Å; N400-T673 WeakPolarHBondContact O-CG2 3.46Å; N400-A676 HydrophobicContact CB-CB 3.66Å; N400-S677 PolarHBondContact ND2-OG 2.91Å; N400-M680 HydrophobicContact CB-CE 4.11Å; N400-M680 HydrophobicContact CB-SD 4.44Å; N400-M680 VanDerWaalsContact CG-SD 3.58Å; N400-M680 VanDerWaalsContact OD1-CE 3.27Å; N400-M680 WeakPolarHBondContact OD1-CE 3.46Å; N400-M680 PolarHBondContact OD1-SD 3.3Å
401	I	97	Very high	95.5	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.046	13%	0.13	C	C	.	.			trans	-56.1	135.5	-176.3	-166.5	175.9	0	0	0	112.4	L216 L217 G366 S399 T403 A404	L216-I401 HydrophobicContact CD2-CD1 3.73Å; L217-I401 HydrophobicContact CD1-CD1 4.43Å; L217-I401 HydrophobicContact CD1-CG1 4.44Å; L217-I401 HydrophobicContact CD2-CD1 4.28Å; L217-I401 HydrophobicContact CG-CD1 3.88Å; L217-I401 HydrophobicContact CG-CG1 4.34Å; G366-I401 VanDerWaalsContact CA-CG2 3.46Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact OG-N 3.29Å; I401-T403 WeakPolarHBondContact CG1-O 3.17Å; I401-A404 HydrophobicContact CD1-CB 4.05Å
402	C	96.3	Very high	96.1	Very high	13 Å²	13	25.4 Å²	25.4	9%	0.088	12%	0.119	C	C	.	.			trans	-127.9	-80.4	176	-177.2	0	0	0	0	109.9	R367 Q390 N400 A404 T673	R367-C402 VanDerWaalsContact CZ-O 3.25Å; R367-C402 PolarHBondContact NH1-O 2.89Å; R367-C402 PolarHBondContact NH2-O 2.91Å; Q390-C402 HydrophobicContact CG-CB 4.23Å; Q390-C402 PolarHBondContact NE2-SG 2.98Å; N400-C402 PolarHBondContact O-N 2.91Å; C402-A404 PolarHBondContact O-N 3.15Å; C402-T673 HydrophobicContact CB-CG2 3.74Å
403	T	96.9	Very high	96.5	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.031	10%	0.097	C	C	.	.	S	Bend	trans	-59.8	134.6	162.9	-34.7	0	0	0	0	108.6	Y181 I401 H773	Y181-T403 HydrophobicContact CE2-CG2 4.39Å; Y181-T403 PolarHBondContact OH-OG1 3.35Å; I401-T403 WeakPolarHBondContact CG1-O 3.17Å; T403-H773 PolarHBondContact OG1-NE2 2.79Å
404	A	97.8	Very high	97	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.017	8%	0.077	C	C	.	.			trans	-122	-135.1	178.1	0	0	0	0	0	109.2	I401 C402 G783 G784	I401-A404 HydrophobicContact CD1-CB 4.05Å; C402-A404 PolarHBondContact O-N 3.15Å; A404-G783 PolarHBondContact N-O 3.2Å; A404-G784 WeakPolarHBondContact O-CA 3.12Å
405	Q	98.6	Very high	97.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.067	C	C	.	.			trans	-132.5	38.4	-177.7	-58.5	-75.9	29	0	0	111.4	S215 L216 L217 H350 A351 L407 L408 A409	S215-Q405 PolarHBondContact OG-N 3.45Å; L216-Q405 VanDerWaalsContact O-CG 3.31Å; L216-Q405 WeakPolarHBondContact O-CG 3.43Å; L217-Q405 HydrophobicContact CD2-CG 4.43Å; L217-Q405 PolarHBondContact O-NE2 3.46Å; H350-Q405 VanDerWaalsContact O-CG 3.24Å; H350-Q405 WeakPolarHBondContact O-CG 3.45Å; H350-Q405 PolarHBondContact O-NE2 2.97Å; A351-Q405 HydrophobicContact CB-CB 3.92Å; Q405-L407 PolarHBondContact O-N 2.95Å; Q405-L408 HydrophobicContact CB-CD2 4.26Å; Q405-L408 PolarHBondContact O-N 3.42Å; Q405-A409 PolarHBondContact O-N 3.32Å
406	A	98.8	Very high	97.9	Very high	2 Å²	2	10.6 Å²	10.6	2%	0.017	5%	0.053	C	C	.	.	H	α-helix	trans	-55.1	-43.5	-167.5	0	0	0	0	0	114.5	L196 L408 A409 N410 G784	L196-A406 HydrophobicContact CD1-CB 4.45Å; L196-A406 HydrophobicContact CD2-CB 4.42Å; A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 3.03Å; A406-A409 PolarHBondContact O-N 2.84Å; A406-N410 VanDerWaalsContact O-CG 3.31Å; A406-N410 PolarHBondContact O-N 3.28Å; A406-N410 PolarHBondContact O-ND2 3.11Å; A406-G784 PolarHBondContact N-O 3.03Å
407	L	98.9	Very high	98.2	Very high	4 Å²	4	3.6 Å²	3.6	2%	0.021	2%	0.023	C	C	.	.	H	α-helix	trans	-58.7	-41	176	-173.1	69.7	0	0	0	112	L171 L172 W177 V178 Q405 N410 M411 G781 G784	L171-L407 HydrophobicContact CD2-CD1 3.56Å; L171-L407 HydrophobicContact CD2-CG 4.26Å; L172-L407 HydrophobicContact CD1-CD2 3.9Å; W177-L407 HydrophobicContact CB-CD1 4.47Å; V178-L407 HydrophobicContact CB-CD2 4.49Å; V178-L407 HydrophobicContact CG1-CD1 3.93Å; V178-L407 HydrophobicContact CG1-CD2 3.77Å; Q405-L407 PolarHBondContact O-N 2.95Å; L407-N410 WeakPolarHBondContact O-CB 3.49Å; L407-N410 PolarHBondContact O-N 2.81Å; L407-M411 HydrophobicContact CG-SD 4.42Å; L407-M411 VanDerWaalsContact O-CG 3.3Å; L407-M411 WeakPolarHBondContact O-CG 3.31Å; L407-M411 PolarHBondContact O-N 2.9Å; L407-G781 WeakPolarHBondContact CB-O 3.47Å; L407-G781 PolarHBondContact N-O 3.03Å; L407-G784 VanDerWaalsContact CB-O 3.26Å; L407-G784 WeakPolarHBondContact CB-O 3.38Å; L407-G784 PolarHBondContact N-O 2.72Å
408	L	98.9	Very high	98.4	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.021	3%	0.029	C	C	.	.	H	α-helix	trans	-77.9	-29.5	-176.6	-58	-41.8	0	0	0	111.4	V342 P349 A351 Q405 A406 M411 A412 P785	V342-L408 HydrophobicContact CG1-CD1 4.09Å; P349-L408 HydrophobicContact CB-CD2 3.71Å; P349-L408 HydrophobicContact CB-CG 4.1Å; P349-L408 HydrophobicContact CG-CD1 4.22Å; P349-L408 HydrophobicContact CG-CD2 3.88Å; P349-L408 HydrophobicContact CG-CG 4.13Å; A351-L408 HydrophobicContact CB-CB 4.14Å; Q405-L408 HydrophobicContact CB-CD2 4.26Å; Q405-L408 PolarHBondContact O-N 3.42Å; A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 3.03Å; L408-M411 HydrophobicContact CD1-CE 4.33Å; L408-M411 HydrophobicContact CD1-SD 3.46Å; L408-M411 WeakPolarHBondContact CD1-SD 3.47Å; L408-M411 PolarHBondContact O-N 2.61Å; L408-A412 WeakPolarHBondContact O-CB 3.27Å; L408-A412 PolarHBondContact O-N 3.43Å; L408-P785 HydrophobicContact CD2-CB 3.84Å; L408-P785 HydrophobicContact CD2-CG 4.12Å
409	A	98.9	Very high	98.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.4	-42.6	168.4	0	0	0	0	0	110.9	L196 Y199 A351 Q405 A406 A412 A413	L196-A409 HydrophobicContact CD2-CB 3.82Å; Y199-A409 HydrophobicContact CD1-CB 4Å; Y199-A409 HydrophobicContact CD2-CB 3.74Å; Y199-A409 WeakPolarHBondContact CD2-O 3.29Å; Y199-A409 HydrophobicContact CE1-CB 4.08Å; Y199-A409 HydrophobicContact CE2-CB 3.82Å; Y199-A409 HydrophobicContact CG-CB 3.81Å; A351-A409 HydrophobicContact CB-CB 3.84Å; Q405-A409 PolarHBondContact O-N 3.32Å; A406-A409 PolarHBondContact O-N 2.84Å; A409-A412 PolarHBondContact O-N 3.42Å; A409-A413 WeakPolarHBondContact O-CB 3.44Å; A409-A413 PolarHBondContact O-N 2.79Å
410	N	98.9	Very high	98.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-63.2	-40.7	173.7	-69.7	-28.6	0	0	0	112.1	L171 W177 S195 L196 A406 L407 A413 M414	L171-N410 HydrophobicContact CD1-CB 4.45Å; W177-N410 HydrophobicContact CZ3-CB 4.3Å; S195-N410 VanDerWaalsContact C-OD1 3.31Å; S195-N410 WeakPolarHBondContact CB-OD1 3.26Å; S195-N410 WeakPolarHBondContact OG-CB 3.4Å; S195-N410 PolarHBondContact OG-OD1 3.11Å; L196-N410 WeakPolarHBondContact CG-OD1 3.48Å; L196-N410 PolarHBondContact N-OD1 2.93Å; A406-N410 VanDerWaalsContact O-CG 3.31Å; A406-N410 PolarHBondContact O-N 3.28Å; A406-N410 PolarHBondContact O-ND2 3.11Å; L407-N410 WeakPolarHBondContact O-CB 3.49Å; L407-N410 PolarHBondContact O-N 2.81Å; N410-A413 PolarHBondContact O-N 3.1Å; N410-M414 WeakPolarHBondContact O-CB 3.19Å; N410-M414 VanDerWaalsContact O-CG 3.26Å; N410-M414 WeakPolarHBondContact O-CG 3.47Å; N410-M414 PolarHBondContact O-N 2.86Å
411	M	98.9	Very high	98.5	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-61.1	-46.4	173.8	-69.1	164.5	65.5	0	0	112.5	M163 I167 L171 L172 V342 L407 L408 A413 M414 Y415	M163-M411 HydrophobicContact CE-CE 3.34Å; I167-M411 HydrophobicContact CG2-CB 4.48Å; I167-M411 HydrophobicContact CG2-CG 4.36Å; L171-M411 HydrophobicContact CD2-CG 3.61Å; L171-M411 HydrophobicContact CD2-SD 4.46Å; L172-M411 HydrophobicContact CB-CE 4.26Å; L172-M411 HydrophobicContact CB-SD 4.25Å; L172-M411 HydrophobicContact CD1-SD 4.15Å; L172-M411 HydrophobicContact CD2-CE 3.98Å; V342-M411 HydrophobicContact CG1-CE 4.17Å; V342-M411 HydrophobicContact CG2-CB 4.14Å; V342-M411 HydrophobicContact CG2-CE 4.3Å; L407-M411 HydrophobicContact CG-SD 4.42Å; L407-M411 VanDerWaalsContact O-CG 3.3Å; L407-M411 WeakPolarHBondContact O-CG 3.31Å; L407-M411 PolarHBondContact O-N 2.9Å; L408-M411 HydrophobicContact CD1-CE 4.33Å; L408-M411 HydrophobicContact CD1-SD 3.46Å; L408-M411 WeakPolarHBondContact CD1-SD 3.47Å; L408-M411 PolarHBondContact O-N 2.61Å; M411-A413 VanDerWaalsContact C-N 3.34Å; M411-A413 PolarHBondContact O-N 3.28Å; M411-M414 PolarHBondContact O-N 3.42Å; M411-Y415 PolarHBondContact O-N 2.8Å
412	A	98.9	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-37.1	177.5	0	0	0	0	0	112.5	Y199 M202 S337 F340 L408 A409 Y415 A416	Y199-A412 HydrophobicContact CD2-CB 4.35Å; Y199-A412 HydrophobicContact CE2-CB 4.12Å; M202-A412 HydrophobicContact CE-CB 4.39Å; S337-A412 WeakPolarHBondContact OG-CB 3.32Å; F340-A412 HydrophobicContact CB-CB 4.07Å; F340-A412 WeakPolarHBondContact O-CA 3.46Å; L408-A412 WeakPolarHBondContact O-CB 3.27Å; L408-A412 PolarHBondContact O-N 3.43Å; A409-A412 PolarHBondContact O-N 3.42Å; A412-Y415 PolarHBondContact O-N 2.92Å; A412-A416 PolarHBondContact O-N 3.1Å; A412-A416 VanDerWaalsContact O-N 3.12Å
413	A	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-49.2	171.4	0	0	0	0	0	111.4	N198 A409 N410 M411 Y415 A416 L417	N198-A413 HydrophobicContact CB-CB 4.19Å; A409-A413 WeakPolarHBondContact O-CB 3.44Å; A409-A413 PolarHBondContact O-N 2.79Å; N410-A413 PolarHBondContact O-N 3.1Å; M411-A413 VanDerWaalsContact C-N 3.34Å; M411-A413 PolarHBondContact O-N 3.28Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.31Å; A413-A416 CarbonylContact O-C 3.4Å; A413-A416 PolarHBondContact O-N 3.27Å; A413-A416 VanDerWaalsContact O-N 3.07Å; A413-L417 WeakPolarHBondContact O-CD1 3.38Å; A413-L417 PolarHBondContact O-N 3.28Å
414	M	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-34.9	178.1	-69	-64.6	174.8	0	0	112.4	I167 L171 W177 N410 M411 L417 Y418 I554 Y557 M558 L561	I167-M414 HydrophobicContact CD1-CB 3.8Å; I167-M414 HydrophobicContact CG1-CB 4.18Å; I167-M414 HydrophobicContact CG2-CB 4.24Å; L171-M414 HydrophobicContact CD1-CG 3.71Å; W177-M414 HydrophobicContact CH2-CE 3.98Å; W177-M414 HydrophobicContact CZ2-CE 4.09Å; N410-M414 WeakPolarHBondContact O-CB 3.19Å; N410-M414 VanDerWaalsContact O-CG 3.26Å; N410-M414 WeakPolarHBondContact O-CG 3.47Å; N410-M414 PolarHBondContact O-N 2.86Å; M411-M414 PolarHBondContact O-N 3.42Å; M414-L417 PolarHBondContact O-N 3.21Å; M414-L417 HydrophobicContact SD-CD2 4.29Å; M414-Y418 VanDerWaalsContact O-CB 3.29Å; M414-Y418 WeakPolarHBondContact O-CB 3.15Å; M414-Y418 PolarHBondContact O-N 2.68Å; M414-I554 HydrophobicContact SD-CD1 4.06Å; M414-Y557 HydrophobicContact CE-CD1 3.79Å; M414-Y557 HydrophobicContact CE-CE1 3.65Å; M414-Y557 HydrophobicContact SD-CD1 3.72Å; M414-Y557 HydrophobicContact SD-CE1 3.9Å; M414-M558 HydrophobicContact CE-CG 3.84Å; M414-M558 HydrophobicContact CG-CG 4.19Å; M414-M558 HydrophobicContact CG-SD 4.3Å; M414-M558 HydrophobicContact SD-CG 3.61Å; M414-M558 HydrophobicContact SD-SD 4.39Å; M414-L561 HydrophobicContact CE-CD1 3.79Å
415	Y	98.9	Very high	98.8	Very high	1 Å²	1	17 Å²	17	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-47.1	172	-179.8	-93.3	0	0	0	111.4	P164 F340 G341 M411 A412 A413 Y418 Q419 L424 E494	P164-Y415 HydrophobicContact CG-CD2 3.71Å; P164-Y415 HydrophobicContact CG-CE2 4.15Å; F340-Y415 VanDerWaalsContact C-CG 3.46Å; F340-Y415 VanDerWaalsContact CA-CD1 3.43Å; F340-Y415 HydrophobicContact CB-CD1 3.5Å; F340-Y415 HydrophobicContact CB-CE1 3.97Å; F340-Y415 HydrophobicContact CB-CG 4.17Å; F340-Y415 HydrophobicContact CD1-CD1 4.22Å; F340-Y415 AromaticContact CD1-CE1 3.93Å; F340-Y415 HydrophobicContact CD1-CE1 3.93Å; F340-Y415 HydrophobicContact CD2-CD1 4.21Å; F340-Y415 AromaticContact CG-CD1 3.74Å; F340-Y415 HydrophobicContact CG-CD1 3.74Å; F340-Y415 AromaticContact CG-CE1 3.95Å; F340-Y415 HydrophobicContact CG-CE1 3.95Å; F340-Y415 WeakPolarHBondContact O-CB 3.13Å; G341-Y415 VanDerWaalsContact CA-CD2 3.5Å; M411-Y415 PolarHBondContact O-N 2.8Å; A412-Y415 PolarHBondContact O-N 2.92Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.31Å; Y415-Y418 PolarHBondContact O-N 2.66Å; Y415-Q419 HydrophobicContact CD1-CG 4.27Å; Y415-Q419 HydrophobicContact CD2-CG 4.43Å; Y415-Q419 HydrophobicContact CE1-CG 4.08Å; Y415-Q419 HydrophobicContact CE2-CG 4.23Å; Y415-Q419 HydrophobicContact CG-CG 4.46Å; Y415-Q419 WeakPolarHBondContact O-CB 3.25Å; Y415-Q419 VanDerWaalsContact O-CG 3.28Å; Y415-Q419 WeakPolarHBondContact O-CG 3.15Å; Y415-Q419 PolarHBondContact O-N 2.85Å; Y415-L424 HydrophobicContact CD1-CD2 3.82Å; Y415-L424 HydrophobicContact CE1-CD2 3.4Å; Y415-L424 VanDerWaalsContact CE1-CD2 3.4Å; Y415-E494 PolarHBondContact OH-OE1 2.9Å; Y415-E494 VanDerWaalsContact OH-OE1 3.12Å; Y415-E494 PolarHBondContact OH-OE2 3.33Å
416	A	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-33.5	176.1	0	0	0	0	0	113.8	M202 A412 A413 G420 L424 L540 F545	M202-A416 HydrophobicContact CG-CB 3.91Å; M202-A416 HydrophobicContact SD-CB 3.4Å; M202-A416 WeakPolarHBondContact SD-CB 3.31Å; A412-A416 PolarHBondContact O-N 3.1Å; A412-A416 VanDerWaalsContact O-N 3.12Å; A413-A416 CarbonylContact O-C 3.4Å; A413-A416 PolarHBondContact O-N 3.27Å; A413-A416 VanDerWaalsContact O-N 3.07Å; A416-G420 VanDerWaalsContact O-CA 3.29Å; A416-G420 WeakPolarHBondContact O-CA 3.26Å; A416-G420 PolarHBondContact O-N 2.71Å; A416-L424 HydrophobicContact CB-CD1 4.05Å; A416-L540 HydrophobicContact CB-CD1 4.19Å; A416-F545 HydrophobicContact CB-CD1 4.46Å
417	L	98.8	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-41.2	171.6	-90.3	73.7	0	0	0	111.8	N198 A413 M414 V544 F545 Y548 H549 I554 Y557	N198-L417 HydrophobicContact CB-CD1 4.01Å; A413-L417 WeakPolarHBondContact O-CD1 3.38Å; A413-L417 PolarHBondContact O-N 3.28Å; M414-L417 PolarHBondContact O-N 3.21Å; M414-L417 HydrophobicContact SD-CD2 4.29Å; L417-V544 HydrophobicContact CD2-CG2 3.9Å; L417-V544 HydrophobicContact CG-CG2 4.34Å; L417-F545 HydrophobicContact CD1-CD1 3.56Å; L417-F545 HydrophobicContact CD1-CE1 3.45Å; L417-F545 VanDerWaalsContact CD1-CE1 3.45Å; L417-F545 HydrophobicContact CD1-CZ 4.47Å; L417-F545 HydrophobicContact CG-CD1 4.09Å; L417-F545 HydrophobicContact CG-CE1 4.44Å; L417-Y548 HydrophobicContact CD2-CD2 4.04Å; L417-H549 PolarHBondContact O-ND1 3.48Å; L417-I554 HydrophobicContact CB-CD1 3.99Å; L417-Y557 HydrophobicContact CD2-CD1 3.64Å; L417-Y557 HydrophobicContact CD2-CE1 3.19Å
418	Y	98.8	Very high	98.8	Very high	52 Å²	52	22.8 Å²	22.8	20%	0.204	11%	0.11	C	C	.	.	H	α-helix	trans	-71.1	-48.8	-178.2	-170.9	-124.5	0	0	0	111.5	P164 M414 Y415 H549 I554	P164-Y418 HydrophobicContact CB-CD1 4.18Å; P164-Y418 HydrophobicContact CB-CE1 4.23Å; P164-Y418 HydrophobicContact CG-CD1 4.26Å; M414-Y418 VanDerWaalsContact O-CB 3.29Å; M414-Y418 WeakPolarHBondContact O-CB 3.15Å; M414-Y418 PolarHBondContact O-N 2.68Å; Y415-Y418 PolarHBondContact O-N 2.66Å; Y418-H549 WeakPolarHBondContact CE2-O 3.31Å; Y418-H549 PolarHBondContact O-ND1 2.91Å; Y418-I554 HydrophobicContact CD2-CB 3.84Å; Y418-I554 HydrophobicContact CD2-CG1 4.21Å; Y418-I554 HydrophobicContact CD2-CG2 3.65Å; Y418-I554 HydrophobicContact CE2-CB 4.39Å; Y418-I554 HydrophobicContact CE2-CG2 3.78Å
419	Q	98.8	Very high	98.8	Very high	49 Å²	49	25 Å²	25	23%	0.229	12%	0.12	C	C	.	.	H	α-helix	trans	-73.8	-34.2	179.4	-60.7	-68.2	6.3	0	0	113	Y415 G423 L424 I427	Y415-Q419 HydrophobicContact CD1-CG 4.27Å; Y415-Q419 HydrophobicContact CD2-CG 4.43Å; Y415-Q419 HydrophobicContact CE1-CG 4.08Å; Y415-Q419 HydrophobicContact CE2-CG 4.23Å; Y415-Q419 HydrophobicContact CG-CG 4.46Å; Y415-Q419 WeakPolarHBondContact O-CB 3.25Å; Y415-Q419 VanDerWaalsContact O-CG 3.28Å; Y415-Q419 WeakPolarHBondContact O-CG 3.15Å; Y415-Q419 PolarHBondContact O-N 2.85Å; Q419-G423 VanDerWaalsContact O-CA 3.24Å; Q419-G423 WeakPolarHBondContact O-CA 3.26Å; Q419-G423 PolarHBondContact O-N 2.83Å; Q419-L424 HydrophobicContact CB-CD2 3.94Å; Q419-L424 HydrophobicContact CB-CG 3.97Å; Q419-L424 HydrophobicContact CG-CD2 4.17Å; Q419-I427 HydrophobicContact CG-CD1 4.18Å
420	G	98.7	Very high	98.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	62.6	178.7	-169	0	0	0	0	0	113.6	A416 Q422 G423 L424 F545	A416-G420 VanDerWaalsContact O-CA 3.29Å; A416-G420 WeakPolarHBondContact O-CA 3.26Å; A416-G420 PolarHBondContact O-N 2.71Å; G420-Q422 PolarHBondContact O-N 2.7Å; G420-G423 PolarHBondContact O-N 3.39Å; G420-L424 WeakPolarHBondContact O-CG 3.31Å; G420-L424 PolarHBondContact O-N 2.75Å; G420-L424 VanDerWaalsContact O-N 3.11Å; G420-F545 WeakPolarHBondContact CA-O 3.18Å
421	P	98.6	Very high	98.8	Very high	18 Å²	18	29.6 Å²	29.6	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-33.7	178.5	20.4	-29.6	0	0	0	113.1	K425 F539 L540	P421-K425 WeakPolarHBondContact O-CB 3.49Å; P421-K425 PolarHBondContact O-N 3.16Å; P421-F539 HydrophobicContact CB-CD2 4.42Å; P421-F539 HydrophobicContact CB-CE2 4.21Å; P421-F539 HydrophobicContact CB-CZ 4.47Å; P421-F539 WeakPolarHBondContact CB-O 3.3Å; P421-L540 HydrophobicContact CB-CB 4.12Å; P421-L540 HydrophobicContact CG-CB 4.19Å
422	Q	98.5	Very high	98.8	Very high	145 Å²	145	29.7 Å²	29.7	68%	0.678	14%	0.138	S	C	*	.	H	α-helix	trans	-75.6	-40.2	-179.1	-57.9	-63.4	-4.6	0	0	112.7	G420 K425 H426	G420-Q422 PolarHBondContact O-N 2.7Å; Q422-K425 PolarHBondContact O-N 2.78Å; Q422-H426 WeakPolarHBondContact O-CB 3.45Å; Q422-H426 PolarHBondContact O-N 3.39Å
423	G	98.8	Very high	98.7	Very high	15 Å²	15	32.5 Å²	32.5	16%	0.155	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-45.9	176	0	0	0	0	0	111.8	Q419 G420 K425 H426 I427	Q419-G423 VanDerWaalsContact O-CA 3.24Å; Q419-G423 WeakPolarHBondContact O-CA 3.26Å; Q419-G423 PolarHBondContact O-N 2.83Å; G420-G423 PolarHBondContact O-N 3.39Å; G423-K425 VanDerWaalsContact C-N 3.34Å; G423-K425 PolarHBondContact O-N 3.35Å; G423-H426 WeakPolarHBondContact O-CB 3.42Å; G423-H426 PolarHBondContact O-N 2.97Å; G423-I427 WeakPolarHBondContact O-CD1 3.43Å; G423-I427 VanDerWaalsContact O-CG1 3.26Å; G423-I427 WeakPolarHBondContact O-CG1 3.38Å; G423-I427 PolarHBondContact O-N 3.4Å
424	L	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-43.8	174.9	-66.1	179	0	0	0	111.9	I206 F340 Y415 A416 Q419 G420 I427 A428 F539 L540	I206-L424 HydrophobicContact CD1-CD1 4.48Å; F340-L424 HydrophobicContact CE1-CD2 4.14Å; F340-L424 HydrophobicContact CE2-CD1 3.97Å; F340-L424 HydrophobicContact CE2-CD2 4.26Å; F340-L424 HydrophobicContact CZ-CD1 4.01Å; F340-L424 HydrophobicContact CZ-CD2 4.01Å; Y415-L424 HydrophobicContact CD1-CD2 3.82Å; Y415-L424 HydrophobicContact CE1-CD2 3.4Å; Y415-L424 VanDerWaalsContact CE1-CD2 3.4Å; A416-L424 HydrophobicContact CB-CD1 4.05Å; Q419-L424 HydrophobicContact CB-CD2 3.94Å; Q419-L424 HydrophobicContact CB-CG 3.97Å; Q419-L424 HydrophobicContact CG-CD2 4.17Å; G420-L424 WeakPolarHBondContact O-CG 3.31Å; G420-L424 PolarHBondContact O-N 2.75Å; G420-L424 VanDerWaalsContact O-N 3.11Å; L424-I427 PolarHBondContact O-N 2.78Å; L424-A428 WeakPolarHBondContact O-CB 3.23Å; L424-A428 PolarHBondContact O-N 3.03Å; L424-F539 HydrophobicContact CB-CE2 4.5Å; L424-L540 HydrophobicContact CD1-CD1 3.55Å
425	K	98.8	Very high	98.7	Very high	62 Å²	62	33 Å²	33	27%	0.27	16%	0.162	S	C	.	.	H	α-helix	trans	-64.1	-42	175.9	-176.2	175.3	170.3	-69.3	0	112.2	P421 Q422 G423 I427 A428 E429 F539	P421-K425 WeakPolarHBondContact O-CB 3.49Å; P421-K425 PolarHBondContact O-N 3.16Å; Q422-K425 PolarHBondContact O-N 2.78Å; G423-K425 VanDerWaalsContact C-N 3.34Å; G423-K425 PolarHBondContact O-N 3.35Å; K425-I427 PolarHBondContact O-N 3.4Å; K425-A428 PolarHBondContact O-N 3.41Å; K425-E429 WeakPolarHBondContact CE-OE1 3.23Å; K425-E429 HydrophobicContact CG-CG 4.33Å; K425-E429 IonicContact NZ-OE1 2.81Å; K425-E429 PolarHBondContact NZ-OE1 2.6Å; K425-E429 IonicContact NZ-OE2 3.5Å; K425-E429 PolarHBondContact NZ-OE2 3.28Å; K425-E429 WeakPolarHBondContact O-CB 3.37Å; K425-E429 WeakPolarHBondContact O-CG 3.33Å; K425-E429 PolarHBondContact O-N 3.14Å; K425-F539 HydrophobicContact CB-CZ 4.36Å
426	H	98.8	Very high	98.7	Very high	116 Å²	116	34.2 Å²	34.2	54%	0.537	17%	0.168	S	C	.	.	H	α-helix	trans	-59	-45.8	173.8	170.4	72.5	0	0	0	111.7	Q422 G423 A428 E429 R430	Q422-H426 WeakPolarHBondContact O-CB 3.45Å; Q422-H426 PolarHBondContact O-N 3.39Å; G423-H426 WeakPolarHBondContact O-CB 3.42Å; G423-H426 PolarHBondContact O-N 2.97Å; H426-A428 VanDerWaalsContact C-N 3.35Å; H426-A428 PolarHBondContact O-N 2.79Å; H426-E429 PolarHBondContact O-N 3.5Å; H426-R430 WeakPolarHBondContact O-CB 3.43Å; H426-R430 PolarHBondContact O-N 3.23Å
427	I	98.9	Very high	98.7	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.062	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-40.6	179.5	-65.3	160.6	0	0	0	110.7	L317 Q419 G423 L424 K425 T431 E494	L317-I427 HydrophobicContact CD1-CB 4.26Å; L317-I427 HydrophobicContact CD1-CG2 3.94Å; L317-I427 HydrophobicContact CD2-CG2 4.14Å; Q419-I427 HydrophobicContact CG-CD1 4.18Å; G423-I427 WeakPolarHBondContact O-CD1 3.43Å; G423-I427 VanDerWaalsContact O-CG1 3.26Å; G423-I427 WeakPolarHBondContact O-CG1 3.38Å; G423-I427 PolarHBondContact O-N 3.4Å; L424-I427 PolarHBondContact O-N 2.78Å; K425-I427 PolarHBondContact O-N 3.4Å; I427-T431 WeakPolarHBondContact O-CB 3.47Å; I427-T431 PolarHBondContact O-N 3.48Å; I427-T431 PolarHBondContact O-OG1 3.06Å; I427-E494 HydrophobicContact CG2-CB 3.98Å; I427-E494 HydrophobicContact CG2-CG 3.75Å
428	A	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-46.9	174.9	0	0	0	0	0	112.7	L317 C320 V321 L424 K425 H426 R430 T431 H432 F455	L317-A428 HydrophobicContact CD1-CB 3.98Å; L317-A428 HydrophobicContact CG-CB 3.97Å; L317-A428 VanDerWaalsContact O-CB 3.29Å; L317-A428 WeakPolarHBondContact O-CB 3.43Å; C320-A428 HydrophobicContact CB-CB 3.84Å; V321-A428 HydrophobicContact CG1-CB 3.83Å; V321-A428 HydrophobicContact CG2-CB 4.31Å; L424-A428 WeakPolarHBondContact O-CB 3.23Å; L424-A428 PolarHBondContact O-N 3.03Å; K425-A428 PolarHBondContact O-N 3.41Å; H426-A428 VanDerWaalsContact C-N 3.35Å; H426-A428 PolarHBondContact O-N 2.79Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 3.29Å; A428-T431 PolarHBondContact O-N 2.84Å; A428-H432 WeakPolarHBondContact O-CB 3.39Å; A428-H432 PolarHBondContact O-N 3.25Å; A428-F455 HydrophobicContact CB-CE2 4.13Å; A428-F455 HydrophobicContact CB-CZ 4.16Å; A428-F455 WeakPolarHBondContact O-CE2 3.39Å
429	E	98.6	Very high	98.6	Very high	50 Å²	50	33.3 Å²	33.3	23%	0.234	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-38.6	177.1	-73.5	177.2	144.1	0	0	111.8	V321 K425 H426 S433 M529	V321-E429 HydrophobicContact CG1-CG 3.65Å; K425-E429 WeakPolarHBondContact CE-OE1 3.23Å; K425-E429 HydrophobicContact CG-CG 4.33Å; K425-E429 IonicContact NZ-OE1 2.81Å; K425-E429 PolarHBondContact NZ-OE1 2.6Å; K425-E429 IonicContact NZ-OE2 3.5Å; K425-E429 PolarHBondContact NZ-OE2 3.28Å; K425-E429 WeakPolarHBondContact O-CB 3.37Å; K425-E429 WeakPolarHBondContact O-CG 3.33Å; K425-E429 PolarHBondContact O-N 3.14Å; H426-E429 PolarHBondContact O-N 3.5Å; E429-S433 VanDerWaalsContact O-CB 3.27Å; E429-S433 WeakPolarHBondContact O-CB 3.39Å; E429-S433 PolarHBondContact O-N 2.82Å; E429-S433 PolarHBondContact O-OG 3.25Å; E429-M529 WeakPolarHBondContact OE1-CE 3.47Å
430	R	98.6	Very high	98.6	Very high	96 Å²	96	32.9 Å²	32.9	36%	0.362	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-48.5	174	-177.7	-177.9	-179.8	-75.7	-11.7	111.7	H426 A428 S433 A434 E494 V496	H426-R430 WeakPolarHBondContact O-CB 3.43Å; H426-R430 PolarHBondContact O-N 3.23Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 3.29Å; R430-S433 PolarHBondContact O-N 3.14Å; R430-A434 PolarHBondContact O-N 3.4Å; R430-E494 PolarHBondContact NH1-O 3.24Å; R430-V496 VanDerWaalsContact CZ-O 3.27Å; R430-V496 PolarHBondContact NH1-O 2.66Å; R430-V496 PolarHBondContact NH2-O 3.19Å
431	T	98.8	Very high	98.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-44.4	179.4	-53	0	0	0	0	111	I427 A428 S433 A434 A435 D456	I427-T431 WeakPolarHBondContact O-CB 3.47Å; I427-T431 PolarHBondContact O-N 3.48Å; I427-T431 PolarHBondContact O-OG1 3.06Å; A428-T431 PolarHBondContact O-N 2.84Å; T431-S433 PolarHBondContact O-N 2.92Å; T431-A434 PolarHBondContact O-N 3.47Å; T431-A435 PolarHBondContact O-N 2.79Å; T431-A435 VanDerWaalsContact O-N 3.09Å; T431-D456 HydrophobicContact CG2-CB 3.75Å
432	H	98.8	Very high	98.6	Very high	5 Å²	5	32 Å²	32	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-40.3	175.3	-176.2	46.8	0	0	0	112.4	A428 A435 L436 F454 F455 I528	A428-H432 WeakPolarHBondContact O-CB 3.39Å; A428-H432 PolarHBondContact O-N 3.25Å; H432-A435 PolarHBondContact O-N 3.37Å; H432-L436 WeakPolarHBondContact O-CG 3.33Å; H432-L436 PolarHBondContact O-N 2.68Å; H432-F454 PolarHBondContact CE1-O 2.83Å; H432-F454 PolarHBondContact ND1-O 3.24Å; H432-F455 HydrophobicContact CB-CD2 4.13Å; H432-F455 HydrophobicContact CB-CE2 4.1Å; H432-F455 PolarHBondContact ND1-O 3.47Å; H432-I528 PolarHBondContact NE2-N 2.77Å
433	S	98	Very high	98.6	Very high	59 Å²	59	29.2 Å²	29.2	41%	0.413	14%	0.144	S	C	.	.	H	α-helix	trans	-64.6	-40.6	177.4	-60	0	0	0	0	112.1	E429 R430 T431 A435 L436 I437	E429-S433 VanDerWaalsContact O-CB 3.27Å; E429-S433 WeakPolarHBondContact O-CB 3.39Å; E429-S433 PolarHBondContact O-N 2.82Å; E429-S433 PolarHBondContact O-OG 3.25Å; R430-S433 PolarHBondContact O-N 3.14Å; T431-S433 PolarHBondContact O-N 2.92Å; S433-A435 VanDerWaalsContact C-N 3.32Å; S433-A435 PolarHBondContact O-N 2.81Å; S433-L436 PolarHBondContact O-N 2.88Å; S433-I437 WeakPolarHBondContact O-CG1 3.47Å; S433-I437 PolarHBondContact O-N 3.34Å
434	A	98.6	Very high	98.4	Very high	11 Å²	11	34.6 Å²	34.6	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-41.5	172.4	0	0	0	0	0	111.7	R430 T431 I437 L438 L492 V496 L501	R430-A434 PolarHBondContact O-N 3.4Å; T431-A434 PolarHBondContact O-N 3.47Å; A434-I437 PolarHBondContact O-N 2.86Å; A434-L438 WeakPolarHBondContact O-CB 3.49Å; A434-L438 PolarHBondContact O-N 2.79Å; A434-L492 HydrophobicContact CB-CD1 3.98Å; A434-V496 HydrophobicContact CB-CG1 4.37Å; A434-L501 HydrophobicContact CB-CD1 4.08Å; A434-L501 HydrophobicContact CB-CD2 4.22Å
435	A	98.6	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-36.5	176.8	0	0	0	0	0	112.6	T431 H432 S433 A439 F454 L492	T431-A435 PolarHBondContact O-N 2.79Å; T431-A435 VanDerWaalsContact O-N 3.09Å; H432-A435 PolarHBondContact O-N 3.37Å; S433-A435 VanDerWaalsContact C-N 3.32Å; S433-A435 PolarHBondContact O-N 2.81Å; A435-A439 WeakPolarHBondContact O-CB 3.26Å; A435-A439 PolarHBondContact O-N 3.15Å; A435-F454 HydrophobicContact CB-CD2 4.24Å; A435-F454 HydrophobicContact CB-CE2 3.93Å; A435-L492 HydrophobicContact CB-CD1 4.13Å
436	L	98.6	Very high	98.3	Very high	26 Å²	26	35 Å²	35	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-41	173.3	-72.5	170.4	0	0	0	112.4	H432 S433 E440 F454 M521 K526	H432-L436 WeakPolarHBondContact O-CG 3.33Å; H432-L436 PolarHBondContact O-N 2.68Å; S433-L436 PolarHBondContact O-N 2.88Å; L436-E440 WeakPolarHBondContact O-CB 3.41Å; L436-E440 PolarHBondContact O-N 2.85Å; L436-F454 HydrophobicContact CD2-CE2 4.05Å; L436-F454 HydrophobicContact CD2-CZ 3.87Å; L436-F454 HydrophobicContact CG-CE2 4.38Å; L436-M521 HydrophobicContact CB-CE 3.92Å; L436-K526 HydrophobicContact CD1-CB 4.38Å
437	I	98.5	Very high	98.3	Very high	30 Å²	30	29.9 Å²	29.9	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-50.6	174.7	-71.4	163.3	0	0	0	110.1	S433 A434 A439 E440 G441 L501 A514 I517 A518 M521	S433-I437 WeakPolarHBondContact O-CG1 3.47Å; S433-I437 PolarHBondContact O-N 3.34Å; A434-I437 PolarHBondContact O-N 2.86Å; I437-A439 PolarHBondContact O-N 3.16Å; I437-E440 PolarHBondContact O-N 3.22Å; I437-G441 PolarHBondContact O-N 3.08Å; I437-L501 HydrophobicContact CG2-CD1 4.22Å; I437-A514 HydrophobicContact CG2-CB 4.21Å; I437-I517 HydrophobicContact CG2-CB 4.23Å; I437-I517 HydrophobicContact CG2-CG2 4.02Å; I437-I517 WeakPolarHBondContact O-CG2 3.44Å; I437-A518 HydrophobicContact CD1-CB 4.24Å; I437-A518 HydrophobicContact CG1-CB 4.48Å; I437-M521 HydrophobicContact CB-SD 4.42Å; I437-M521 HydrophobicContact CG1-CE 4.18Å; I437-M521 HydrophobicContact CG1-SD 3.9Å
438	L	98.7	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-51.9	176.6	-178.3	59.9	0	0	0	110.8	A434 E440 G441 L442 L458 V490 L492 L501 L504 L505	A434-L438 WeakPolarHBondContact O-CB 3.49Å; A434-L438 PolarHBondContact O-N 2.79Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 3.22Å; L438-G441 PolarHBondContact O-N 2.78Å; L438-L442 HydrophobicContact CD1-CD1 4.42Å; L438-L442 HydrophobicContact CD1-CD2 3.84Å; L438-L442 HydrophobicContact CD1-CG 3.99Å; L438-L442 HydrophobicContact CG-CD1 4.2Å; L438-L442 HydrophobicContact CG-CD2 4.47Å; L438-L442 HydrophobicContact CG-CG 4.1Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.83Å; L438-L458 HydrophobicContact CB-CD1 4.19Å; L438-L458 HydrophobicContact CD2-CD1 3.93Å; L438-L458 HydrophobicContact CG-CD1 3.89Å; L438-V490 HydrophobicContact CD2-CB 4.39Å; L438-V490 HydrophobicContact CD2-CG1 3.92Å; L438-L492 HydrophobicContact CB-CD1 4.37Å; L438-L492 HydrophobicContact CD2-CD1 4.08Å; L438-L492 HydrophobicContact CD2-CD2 4.04Å; L438-L492 HydrophobicContact CD2-CG 4.31Å; L438-L501 HydrophobicContact CB-CD2 4.1Å; L438-L504 HydrophobicContact CD1-CB 3.94Å; L438-L504 HydrophobicContact CD2-CD1 4.11Å; L438-L505 HydrophobicContact CD1-CD2 4.2Å; L438-L505 HydrophobicContact CD1-CG 4.47Å
439	A	98.5	Very high	98.2	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-52.9	-42.3	179.1	0	0	0	0	0	113.3	A435 I437 K443 L449 F454 L458	A435-A439 WeakPolarHBondContact O-CB 3.26Å; A435-A439 PolarHBondContact O-N 3.15Å; I437-A439 PolarHBondContact O-N 3.16Å; A439-K443 WeakPolarHBondContact O-CE 3.47Å; A439-K443 WeakPolarHBondContact O-CG 3.39Å; A439-K443 PolarHBondContact O-N 3.2Å; A439-L449 HydrophobicContact CB-CD1 3.65Å; A439-F454 HydrophobicContact CB-CE1 4.12Å; A439-F454 HydrophobicContact CB-CE2 4.4Å; A439-F454 HydrophobicContact CB-CZ 3.54Å; A439-L458 HydrophobicContact CB-CD1 3.94Å; A439-L458 HydrophobicContact CB-CD2 3.96Å
440	E	98.2	Very high	98	Very high	41 Å²	41	41.7 Å²	41.7	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-40.4	176.9	-176.4	63.4	-171.4	0	0	112.7	L436 I437 L438 K443 R444 I517 M521	L436-E440 WeakPolarHBondContact O-CB 3.41Å; L436-E440 PolarHBondContact O-N 2.85Å; I437-E440 PolarHBondContact O-N 3.22Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 3.22Å; E440-K443 IonicContact OE2-NZ 3.85Å; E440-K443 PolarHBondContact OE2-NZ 3.47Å; E440-R444 WeakPolarHBondContact O-CD 3.41Å; E440-R444 VanDerWaalsContact O-CG 3.32Å; E440-R444 WeakPolarHBondContact O-CG 3.48Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 VanDerWaalsContact O-N 3.1Å; E440-R444 IonicContact OE1-CZ 3.2Å; E440-R444 IonicContact OE1-NE 2.83Å; E440-R444 PolarHBondContact OE1-NE 2.87Å; E440-R444 IonicContact OE1-NH2 2.73Å; E440-R444 PolarHBondContact OE1-NH2 3.42Å; E440-I517 HydrophobicContact CB-CG2 3.9Å; E440-I517 HydrophobicContact CG-CG2 3.93Å; E440-M521 HydrophobicContact CB-CG 4.25Å; E440-M521 HydrophobicContact CB-SD 3.82Å; E440-M521 HydrophobicContact CG-CG 3.84Å; E440-M521 HydrophobicContact CG-SD 4.08Å
441	G	98.2	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-42.7	172.8	0	0	0	0	0	113.3	I437 L438 K443 R444 A445 C510	I437-G441 PolarHBondContact O-N 3.08Å; L438-G441 PolarHBondContact O-N 2.78Å; G441-K443 PolarHBondContact O-N 3.02Å; G441-R444 PolarHBondContact O-N 2.99Å; G441-R444 VanDerWaalsContact O-N 3.13Å; G441-A445 PolarHBondContact O-N 3Å; G441-C510 PolarHBondContact O-SG 3.42Å
442	L	98.3	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-42.4	176.4	-61.7	-164.6	0	0	0	111.8	L438 R444 A445 G446 H447 L449 L458 V460 F508	L438-L442 HydrophobicContact CD1-CD1 4.42Å; L438-L442 HydrophobicContact CD1-CD2 3.84Å; L438-L442 HydrophobicContact CD1-CG 3.99Å; L438-L442 HydrophobicContact CG-CD1 4.2Å; L438-L442 HydrophobicContact CG-CD2 4.47Å; L438-L442 HydrophobicContact CG-CG 4.1Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.83Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.85Å; L442-A445 PolarHBondContact O-N 2.89Å; L442-G446 PolarHBondContact O-N 3.29Å; L442-H447 HydrophobicContact CB-CB 4.37Å; L442-H447 WeakPolarHBondContact O-CB 3.48Å; L442-H447 PolarHBondContact O-N 2.87Å; L442-L449 HydrophobicContact CD1-CD2 4.47Å; L442-L458 HydrophobicContact CD1-CD1 4.15Å; L442-V460 HydrophobicContact CD1-CG1 4.15Å; L442-V460 HydrophobicContact CD1-CG2 3.69Å; L442-F508 HydrophobicContact CD2-CB 3.36Å; L442-F508 HydrophobicContact CD2-CD1 3.98Å; L442-F508 HydrophobicContact CD2-CD2 3.66Å; L442-F508 HydrophobicContact CD2-CE2 4.44Å; L442-F508 HydrophobicContact CD2-CG 3.38Å
443	K	97.9	Very high	97.6	Very high	86 Å²	86	46 Å²	46	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-39.1	172.9	-80.7	176.4	-78.9	152.3	0	112.1	A439 E440 G441 G446 L449	A439-K443 WeakPolarHBondContact O-CE 3.47Å; A439-K443 WeakPolarHBondContact O-CG 3.39Å; A439-K443 PolarHBondContact O-N 3.2Å; E440-K443 IonicContact OE2-NZ 3.85Å; E440-K443 PolarHBondContact OE2-NZ 3.47Å; G441-K443 PolarHBondContact O-N 3.02Å; K443-G446 WeakPolarHBondContact O-CA 3.41Å; K443-G446 PolarHBondContact O-N 3.06Å; K443-L449 HydrophobicContact CD-CD1 4.28Å; K443-L449 HydrophobicContact CG-CD1 4.24Å; K443-L449 HydrophobicContact CG-CG 4.37Å
444	R	96.4	Very high	97.6	Very high	128 Å²	128	43.6 Å²	43.6	48%	0.483	22%	0.217	S	C	.	.	H	α-helix	trans	-71.3	-28.2	177.5	-72.3	165.6	-175.7	-98.4	-1.5	113.4	E440 G441 L442 G446	E440-R444 WeakPolarHBondContact O-CD 3.41Å; E440-R444 VanDerWaalsContact O-CG 3.32Å; E440-R444 WeakPolarHBondContact O-CG 3.48Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 VanDerWaalsContact O-N 3.1Å; E440-R444 IonicContact OE1-CZ 3.2Å; E440-R444 IonicContact OE1-NE 2.83Å; E440-R444 PolarHBondContact OE1-NE 2.87Å; E440-R444 IonicContact OE1-NH2 2.73Å; E440-R444 PolarHBondContact OE1-NH2 3.42Å; G441-R444 PolarHBondContact O-N 2.99Å; G441-R444 VanDerWaalsContact O-N 3.13Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.85Å; R444-G446 PolarHBondContact O-N 3.11Å
445	A	97.1	Very high	97.6	Very high	26 Å²	26	43.1 Å²	43.1	22%	0.215	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	8.5	166.4	0	0	0	0	0	113.6	G441 L442 H447 S463 C510	G441-A445 PolarHBondContact O-N 3Å; L442-A445 PolarHBondContact O-N 2.89Å; A445-H447 VanDerWaalsContact C-N 3.3Å; A445-H447 PolarHBondContact O-N 3.13Å; A445-S463 PolarHBondContact O-OG 2.98Å; A445-C510 HydrophobicContact CB-CB 4.07Å
446	G	97.4	Very high	97.6	Very high	46 Å²	46	43.3 Å²	43.3	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	6.4	177.7	0	0	0	0	0	115.1	L442 K443 R444 S463	L442-G446 PolarHBondContact O-N 3.29Å; K443-G446 WeakPolarHBondContact O-CA 3.41Å; K443-G446 PolarHBondContact O-N 3.06Å; R444-G446 PolarHBondContact O-N 3.11Å; G446-S463 WeakPolarHBondContact O-CB 3.39Å
447	H	98.3	Very high	97.6	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.032	21%	0.21	C	C	.	.			trans	-73.7	155.8	174	-52.7	-18.9	0	0	0	111.1	L442 A445 V460 S463 F508	L442-H447 HydrophobicContact CB-CB 4.37Å; L442-H447 WeakPolarHBondContact O-CB 3.48Å; L442-H447 PolarHBondContact O-N 2.87Å; A445-H447 VanDerWaalsContact C-N 3.3Å; A445-H447 PolarHBondContact O-N 3.13Å; H447-V460 HydrophobicContact CB-CG1 3.79Å; H447-S463 PolarHBondContact CE1-OG 2.72Å; H447-S463 VanDerWaalsContact CE1-OG 3.26Å; H447-S463 PolarHBondContact ND1-N 2.84Å; H447-S463 PolarHBondContact ND1-OG 2.8Å; H447-F508 AromaticContact CD2-CD1 3.47Å; H447-F508 VanDerWaalsContact CD2-CD1 3.47Å; H447-F508 WeakPolarHBondContact CD2-CD1 3.43Å; H447-F508 PolarHBondContact CE1-O 3.07Å; H447-F508 WeakPolarHBondContact NE2-CB 3.32Å; H447-F508 AromaticContact NE2-CD1 3.39Å; H447-F508 WeakPolarHBondContact NE2-CD1 3.23Å; H447-F508 AromaticContact NE2-CG 3.89Å; H447-F508 PolarHBondContact NE2-O 3.08Å; H447-F508 VanDerWaalsContact NE2-O 3.08Å
448	R	98.1	Very high	97.6	Very high	186 Å²	186	41.1 Å²	41.1	70%	0.702	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.1	-179.4	-67.9	178.2	-71.5	-179.9	-1.9	110.7	N461	R448-N461 HydrophobicContact CB-CB 4.29Å; R448-N461 PolarHBondContact N-O 3.48Å; R448-N461 WeakPolarHBondContact O-CB 3.42Å; R448-N461 PolarHBondContact O-N 2.76Å; R448-N461 PolarHBondContact O-ND2 2.65Å
449	L	97.8	Very high	97.6	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.1	177	-52.7	177.6	0	0	0	110.3	A439 L442 K443 F454 K459 V460	A439-L449 HydrophobicContact CB-CD1 3.65Å; L442-L449 HydrophobicContact CD1-CD2 4.47Å; K443-L449 HydrophobicContact CD-CD1 4.28Å; K443-L449 HydrophobicContact CG-CD1 4.24Å; K443-L449 HydrophobicContact CG-CG 4.37Å; L449-F454 HydrophobicContact CD1-CE1 4.49Å; L449-K459 WeakPolarHBondContact CA-O 3.33Å; L449-V460 HydrophobicContact CD2-CG1 4.47Å; L449-V460 HydrophobicContact CD2-CG2 3.95Å
450	H	95.8	Very high	97.6	Very high	95 Å²	95	42.6 Å²	42.6	44%	0.44	21%	0.209	S	C	.	.	S	Bend	trans	-80.9	-18.2	174.3	-78.4	-118.8	0	0	0	113.5	K459 N461	H450-K459 HydrophobicContact CB-CB 4.16Å; H450-K459 HydrophobicContact CB-CD 4.35Å; H450-K459 HydrophobicContact CB-CG 4.24Å; H450-K459 PolarHBondContact CD2-O 3.02Å; H450-K459 PolarHBondContact N-O 2.89Å; H450-N461 PolarHBondContact CD2-ND2 2.85Å; H450-N461 PolarHBondContact NE2-ND2 3.35Å; H450-N461 PolarHBondContact NE2-OD1 2.89Å
451	S	94.6	Very high	97.6	Very high	26 Å²	26	43 Å²	43	18%	0.182	21%	0.212	C	C	.	.			trans	-147.6	139.5	176.8	-174.3	0	0	0	0	110.5	M453	S451-M453 VanDerWaalsContact C-N 3.33Å; S451-M453 PolarHBondContact OG-N 2.98Å; S451-M453 PolarHBondContact OG-O 3.02Å
452	D	93.3	Very high	97.6	Very high	126 Å²	126	43.9 Å²	43.9	67%	0.674	22%	0.219	S	C	*	.	S	Bend	trans	-82.1	-13.7	167.2	-64.7	-61.9	0	0	0	112.6
453	M	97.8	Very high	97.4	Very high	43 Å²	43	47.2 Å²	47.2	21%	0.212	24%	0.242	C	C	.	.			trans	-115.3	111.9	179.5	-76.3	-56.8	-48.1	0	0	111.2	R292 V293 S451 I528 F533	R292-M453 WeakPolarHBondContact CA-O 3.36Å; V293-M453 HydrophobicContact CB-CB 4.4Å; V293-M453 PolarHBondContact N-O 2.99Å; S451-M453 VanDerWaalsContact C-N 3.33Å; S451-M453 PolarHBondContact OG-N 2.98Å; S451-M453 PolarHBondContact OG-O 3.02Å; M453-I528 HydrophobicContact CE-CG1 3.93Å; M453-F533 HydrophobicContact CE-CD2 4.16Å
454	F	98.6	Very high	97.2	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-150.2	166.2	-177.3	50.4	-96	0	0	0	110.3	G291 H432 A435 L436 A439 L449 T457 L458 I528	G291-F454 WeakPolarHBondContact O-CA 3.47Å; G291-F454 VanDerWaalsContact O-CB 3.24Å; G291-F454 WeakPolarHBondContact O-CB 3.43Å; H432-F454 PolarHBondContact CE1-O 2.83Å; H432-F454 PolarHBondContact ND1-O 3.24Å; A435-F454 HydrophobicContact CB-CD2 4.24Å; A435-F454 HydrophobicContact CB-CE2 3.93Å; L436-F454 HydrophobicContact CD2-CE2 4.05Å; L436-F454 HydrophobicContact CD2-CZ 3.87Å; L436-F454 HydrophobicContact CG-CE2 4.38Å; A439-F454 HydrophobicContact CB-CE1 4.12Å; A439-F454 HydrophobicContact CB-CE2 4.4Å; A439-F454 HydrophobicContact CB-CZ 3.54Å; L449-F454 HydrophobicContact CD1-CE1 4.49Å; F454-T457 WeakPolarHBondContact CB-O 3.42Å; F454-L458 HydrophobicContact CD1-CD2 3.73Å; F454-L458 HydrophobicContact CD2-CD2 3.64Å; F454-L458 HydrophobicContact CE1-CD2 3.62Å; F454-L458 HydrophobicContact CE2-CD2 3.55Å; F454-L458 HydrophobicContact CG-CD2 3.74Å; F454-L458 HydrophobicContact CZ-CD2 3.54Å; F454-I528 WeakPolarHBondContact O-CD1 3.22Å
455	F	98.8	Very high	97	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.242	C	C	.	.	S	Bend	trans	-92.3	-80.1	168.1	173.9	-119.4	0	0	0	111.1	P287 L317 A318 V321 A428 H432 I528	P287-F455 HydrophobicContact CG-CB 3.87Å; L317-F455 HydrophobicContact CB-CE1 4.43Å; L317-F455 HydrophobicContact CB-CZ 4.41Å; L317-F455 HydrophobicContact CD2-CE1 4.3Å; L317-F455 HydrophobicContact CD2-CZ 4.06Å; L317-F455 HydrophobicContact CG-CE1 4.37Å; L317-F455 HydrophobicContact CG-CZ 3.96Å; A318-F455 HydrophobicContact CB-CB 4.16Å; A318-F455 HydrophobicContact CB-CD1 3.48Å; A318-F455 VanDerWaalsContact CB-CD1 3.48Å; A318-F455 HydrophobicContact CB-CD2 4.22Å; A318-F455 HydrophobicContact CB-CE1 3.89Å; A318-F455 HydrophobicContact CB-CG 3.67Å; A318-F455 HydrophobicContact CB-CZ 4.43Å; V321-F455 HydrophobicContact CG2-CD2 3.87Å; V321-F455 HydrophobicContact CG2-CE2 3.73Å; A428-F455 HydrophobicContact CB-CE2 4.13Å; A428-F455 HydrophobicContact CB-CZ 4.16Å; A428-F455 WeakPolarHBondContact O-CE2 3.39Å; H432-F455 HydrophobicContact CB-CD2 4.13Å; H432-F455 HydrophobicContact CB-CE2 4.1Å; H432-F455 PolarHBondContact ND1-O 3.47Å; F455-I528 HydrophobicContact CB-CD1 4.03Å; F455-I528 HydrophobicContact CD2-CD1 3.94Å; F455-I528 HydrophobicContact CG-CD1 4.48Å
456	D	98.7	Very high	96.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-118.7	-9	-175.4	60.5	5	0	0	0	113.7	R339 T431 L492	R339-D456 IonicContact CZ-OD2 2.74Å; R339-D456 IonicContact NH1-OD2 2.69Å; R339-D456 PolarHBondContact NH1-OD2 3.24Å; R339-D456 IonicContact NH2-OD2 2.64Å; R339-D456 PolarHBondContact NH2-OD2 3.47Å; T431-D456 HydrophobicContact CG2-CB 3.75Å; D456-L492 WeakPolarHBondContact CB-O 3.32Å; D456-L492 PolarHBondContact O-N 3.34Å
457	T	98.9	Very high	96.7	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	-164.9	-66.1	0	0	0	0	111.4	F454 V490 S491	F454-T457 WeakPolarHBondContact CB-O 3.42Å; T457-V490 CarbonylContact C-O 3.59Å; T457-V490 WeakPolarHBondContact CA-O 3.28Å; T457-S491 VanDerWaalsContact CG2-OG 3.24Å; T457-S491 WeakPolarHBondContact CG2-OG 3.41Å; T457-S491 VanDerWaalsContact OG1-CB 3.32Å; T457-S491 WeakPolarHBondContact OG1-CB 3.35Å; T457-S491 PolarHBondContact OG1-OG 2.88Å
458	L	98.8	Very high	96.6	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127	-179.5	-55	-179	0	0	0	110.4	L438 A439 L442 F454 V460 G489 V490	L438-L458 HydrophobicContact CB-CD1 4.19Å; L438-L458 HydrophobicContact CD2-CD1 3.93Å; L438-L458 HydrophobicContact CG-CD1 3.89Å; A439-L458 HydrophobicContact CB-CD1 3.94Å; A439-L458 HydrophobicContact CB-CD2 3.96Å; L442-L458 HydrophobicContact CD1-CD1 4.15Å; F454-L458 HydrophobicContact CD1-CD2 3.73Å; F454-L458 HydrophobicContact CD2-CD2 3.64Å; F454-L458 HydrophobicContact CE1-CD2 3.62Å; F454-L458 HydrophobicContact CE2-CD2 3.55Å; F454-L458 HydrophobicContact CG-CD2 3.74Å; F454-L458 HydrophobicContact CZ-CD2 3.54Å; L458-V460 HydrophobicContact CB-CG2 4.04Å; L458-G489 CarbonylContact O-C 3.49Å; L458-G489 VanDerWaalsContact O-CA 3.3Å; L458-G489 WeakPolarHBondContact O-CA 3.29Å; L458-V490 PolarHBondContact N-O 2.93Å; L458-V490 PolarHBondContact O-N 3.45Å
459	K	98.6	Very high	96.6	Very high	34 Å²	34	40 Å²	40	15%	0.148	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.7	165.1	-176.3	171.6	-178.8	168.5	0	109.9	D290 L449 H450 Y483 V487	D290-K459 HydrophobicContact CB-CB 4.38Å; D290-K459 HydrophobicContact CB-CD 3.64Å; D290-K459 WeakPolarHBondContact OD1-CD 3.46Å; D290-K459 IonicContact OD1-NZ 2.71Å; D290-K459 PolarHBondContact OD1-NZ 3.26Å; D290-K459 WeakPolarHBondContact OD2-CD 3.32Å; D290-K459 IonicContact OD2-NZ 2.73Å; D290-K459 PolarHBondContact OD2-NZ 2.91Å; L449-K459 WeakPolarHBondContact CA-O 3.33Å; H450-K459 HydrophobicContact CB-CB 4.16Å; H450-K459 HydrophobicContact CB-CD 4.35Å; H450-K459 HydrophobicContact CB-CG 4.24Å; H450-K459 PolarHBondContact CD2-O 3.02Å; H450-K459 PolarHBondContact N-O 2.89Å; K459-Y483 HydrophobicContact CB-CE2 4.28Å; K459-Y483 HydrophobicContact CD-CD2 4.39Å; K459-Y483 HydrophobicContact CD-CE1 4.17Å; K459-Y483 HydrophobicContact CD-CE2 3.97Å; K459-Y483 HydrophobicContact CG-CD2 4.16Å; K459-Y483 HydrophobicContact CG-CE2 3.72Å; K459-V487 HydrophobicContact CG-CG1 4Å
460	V	98.6	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120	-161.5	-171.4	0	0	0	0	110.1	L442 H447 L449 L458 V487 L488 F508	L442-V460 HydrophobicContact CD1-CG1 4.15Å; L442-V460 HydrophobicContact CD1-CG2 3.69Å; H447-V460 HydrophobicContact CB-CG1 3.79Å; L449-V460 HydrophobicContact CD2-CG1 4.47Å; L449-V460 HydrophobicContact CD2-CG2 3.95Å; L458-V460 HydrophobicContact CB-CG2 4.04Å; V460-V487 WeakPolarHBondContact O-CA 3.31Å; V460-L488 PolarHBondContact N-O 3.49Å; V460-L488 PolarHBondContact O-N 2.88Å; V460-F508 HydrophobicContact CG1-CE1 4.14Å
461	N	98	Very high	96.7	Very high	48 Å²	48	41.1 Å²	41.1	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.6	161.4	-59.3	-58.1	0	0	0	108.4	R448 H450	R448-N461 HydrophobicContact CB-CB 4.29Å; R448-N461 PolarHBondContact N-O 3.48Å; R448-N461 WeakPolarHBondContact O-CB 3.42Å; R448-N461 PolarHBondContact O-N 2.76Å; R448-N461 PolarHBondContact O-ND2 2.65Å; H450-N461 PolarHBondContact CD2-ND2 2.85Å; H450-N461 PolarHBondContact NE2-ND2 3.35Å; H450-N461 PolarHBondContact NE2-OD1 2.89Å
462	C	97.6	Very high	96.9	Very high	20 Å²	20	42.5 Å²	42.5	14%	0.135	23%	0.229	C	C	.	.			trans	-69.1	142.1	179.5	-55.7	0	0	0	0	111	V464 I469 G486	C462-V464 WeakPolarHBondContact CB-O 3.26Å; C462-I469 HydrophobicContact CB-CD1 3.77Å; C462-I469 WeakPolarHBondContact SG-CD1 3.37Å; C462-G486 PolarHBondContact N-O 2.82Å
463	S	94.9	Very high	97.1	Very high	70 Å²	70	36.6 Å²	36.6	49%	0.49	20%	0.198	S	C	.	.	S	Bend	trans	-87.5	-16	170.5	52.6	0	0	0	0	113.2	A445 G446 H447	A445-S463 PolarHBondContact O-OG 2.98Å; G446-S463 WeakPolarHBondContact O-CB 3.39Å; H447-S463 PolarHBondContact CE1-OG 2.72Å; H447-S463 VanDerWaalsContact CE1-OG 3.26Å; H447-S463 PolarHBondContact ND1-N 2.84Å; H447-S463 PolarHBondContact ND1-OG 2.8Å
464	V	93.5	Very high	97.2	Very high	68 Å²	68	38.6 Å²	38.6	41%	0.412	21%	0.212	S	C	.	.	S	Bend	trans	-117	174.4	173.6	-60.5	0	0	0	0	109.6	C462 A466 I469	C462-V464 WeakPolarHBondContact CB-O 3.26Å; V464-A466 PolarHBondContact O-N 3.48Å; V464-I469 HydrophobicContact CG2-CD1 3.79Å; V464-I469 HydrophobicContact CG2-CG1 3.92Å
465	A	91.8	Very high	97.2	Very high	54 Å²	54	44.6 Å²	44.6	45%	0.446	24%	0.24	S	C	.	.			trans	-61.8	129.4	177.3	0	0	0	0	0	110.7	K467 D468	A465-K467 PolarHBondContact O-N 3.15Å; A465-K467 VanDerWaalsContact O-N 3.13Å; A465-D468 PolarHBondContact O-N 3.34Å
466	A	93.4	Very high	97.1	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-26.8	179.2	0	0	0	0	0	112.4	V464 D468 I469 L470 L488	V464-A466 PolarHBondContact O-N 3.48Å; A466-D468 VanDerWaalsContact C-N 3.34Å; A466-D468 PolarHBondContact O-N 3.18Å; A466-I469 PolarHBondContact O-N 2.84Å; A466-L470 VanDerWaalsContact O-CG 3.29Å; A466-L470 WeakPolarHBondContact O-CG 3.23Å; A466-L470 PolarHBondContact O-N 3.19Å; A466-L488 HydrophobicContact CB-CD1 4.3Å; A466-L488 HydrophobicContact CB-CD2 4.37Å; A466-L488 HydrophobicContact CB-CG 4.26Å
467	K	94.8	Very high	97.1	Very high	129 Å²	129	54 Å²	54	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-55.9	-44.4	171.9	-178.6	175.5	171.5	-64.5	0	112.3	A465 I469 L470 E471	A465-K467 PolarHBondContact O-N 3.15Å; A465-K467 VanDerWaalsContact O-N 3.13Å; K467-I469 VanDerWaalsContact C-N 3.32Å; K467-I469 PolarHBondContact O-N 2.91Å; K467-L470 PolarHBondContact O-N 3.44Å; K467-E471 VanDerWaalsContact CE-OE1 3.27Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 IonicContact NZ-OE1 2.67Å; K467-E471 PolarHBondContact NZ-OE1 3.49Å; K467-E471 IonicContact NZ-OE2 3.34Å; K467-E471 WeakPolarHBondContact O-CB 3.48Å; K467-E471 WeakPolarHBondContact O-CG 3.3Å; K467-E471 PolarHBondContact O-N 2.75Å
468	D	96.6	Very high	97.1	Very high	64 Å²	64	53.9 Å²	53.9	34%	0.342	28%	0.279	S	S	.	.	H	α-helix	trans	-69.3	-34.7	-177	-46.9	-18.4	0	0	0	111.3	A465 A466 R472	A465-D468 PolarHBondContact O-N 3.34Å; A466-D468 VanDerWaalsContact C-N 3.34Å; A466-D468 PolarHBondContact O-N 3.18Å; D468-R472 WeakPolarHBondContact O-CG 3.27Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 VanDerWaalsContact O-N 3.14Å; D468-R472 PolarHBondContact O-NH1 2.81Å
469	I	98.1	Very high	97.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-46.3	173.4	-64.1	164.4	0	0	0	109.7	C462 V464 A466 K467 E471 R472 A473 L480 L488 V507 F508	C462-I469 HydrophobicContact CB-CD1 3.77Å; C462-I469 WeakPolarHBondContact SG-CD1 3.37Å; V464-I469 HydrophobicContact CG2-CD1 3.79Å; V464-I469 HydrophobicContact CG2-CG1 3.92Å; A466-I469 PolarHBondContact O-N 2.84Å; K467-I469 VanDerWaalsContact C-N 3.32Å; K467-I469 PolarHBondContact O-N 2.91Å; I469-E471 PolarHBondContact O-N 2.81Å; I469-R472 PolarHBondContact O-N 3.24Å; I469-A473 WeakPolarHBondContact O-CB 3.4Å; I469-A473 PolarHBondContact O-N 3.38Å; I469-L480 HydrophobicContact CG2-CD1 4.19Å; I469-L488 HydrophobicContact CB-CD1 4.12Å; I469-L488 HydrophobicContact CD1-CD1 4.44Å; I469-L488 HydrophobicContact CG2-CD1 3.7Å; I469-V507 HydrophobicContact CG2-CG1 3.74Å; I469-F508 HydrophobicContact CD1-CD1 3.85Å; I469-F508 HydrophobicContact CD1-CE1 4.16Å; I469-F508 HydrophobicContact CG1-CD1 4.38Å; I469-F508 HydrophobicContact CG2-CD1 3.87Å; I469-F508 HydrophobicContact CG2-CD2 4.44Å; I469-F508 HydrophobicContact CG2-CE1 3.85Å; I469-F508 HydrophobicContact CG2-CE2 4.39Å; I469-F508 HydrophobicContact CG2-CG 4.2Å; I469-F508 HydrophobicContact CG2-CZ 4.11Å
470	L	97.8	Very high	97.2	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.277	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-37.2	177.2	-69.4	169.3	0	0	0	112.2	A466 K467 R472 A473 V474 L480 V482 L488	A466-L470 VanDerWaalsContact O-CG 3.29Å; A466-L470 WeakPolarHBondContact O-CG 3.23Å; A466-L470 PolarHBondContact O-N 3.19Å; K467-L470 PolarHBondContact O-N 3.44Å; L470-R472 VanDerWaalsContact C-N 3.34Å; L470-R472 PolarHBondContact O-N 3.33Å; L470-A473 WeakPolarHBondContact O-CB 3.19Å; L470-A473 PolarHBondContact O-N 2.78Å; L470-A473 VanDerWaalsContact O-N 3.16Å; L470-V474 VanDerWaalsContact O-CG2 3.31Å; L470-V474 WeakPolarHBondContact O-CG2 3.39Å; L470-V474 PolarHBondContact O-N 2.86Å; L470-L480 HydrophobicContact CD2-CB 4.42Å; L470-V482 HydrophobicContact CD1-CG2 4.06Å; L470-V482 HydrophobicContact CD2-CG2 4.31Å; L470-L488 HydrophobicContact CD1-CD2 4.31Å; L470-L488 HydrophobicContact CD2-CD2 4.22Å; L470-L488 HydrophobicContact CG-CD2 4.35Å
471	E	97.7	Very high	97.2	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-33.9	174.5	-78.4	175.8	-171.8	0	0	112.8	K467 I469 Q475	K467-E471 VanDerWaalsContact CE-OE1 3.27Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 IonicContact NZ-OE1 2.67Å; K467-E471 PolarHBondContact NZ-OE1 3.49Å; K467-E471 IonicContact NZ-OE2 3.34Å; K467-E471 WeakPolarHBondContact O-CB 3.48Å; K467-E471 WeakPolarHBondContact O-CG 3.3Å; K467-E471 PolarHBondContact O-N 2.75Å; I469-E471 PolarHBondContact O-N 2.81Å; E471-Q475 WeakPolarHBondContact O-CG 3.4Å; E471-Q475 PolarHBondContact O-N 3.27Å; E471-Q475 PolarHBondContact O-NE2 3.08Å
472	R	98.5	Very high	97.1	Very high	56 Å²	56	56.3 Å²	56.3	21%	0.211	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-38.2	168.6	-71.7	-171.1	-60.6	-87	0.7	111.9	D468 I469 L470 V474 Q475 R476 W506 V507	D468-R472 WeakPolarHBondContact O-CG 3.27Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 VanDerWaalsContact O-N 3.14Å; D468-R472 PolarHBondContact O-NH1 2.81Å; I469-R472 PolarHBondContact O-N 3.24Å; L470-R472 VanDerWaalsContact C-N 3.34Å; L470-R472 PolarHBondContact O-N 3.33Å; R472-V474 VanDerWaalsContact C-N 3.33Å; R472-V474 PolarHBondContact O-N 3.05Å; R472-Q475 WeakPolarHBondContact O-CB 3.19Å; R472-Q475 PolarHBondContact O-N 2.88Å; R472-Q475 VanDerWaalsContact O-N 3.17Å; R472-R476 PolarHBondContact O-N 3.26Å; R472-W506 HydrophobicContact CB-CE3 4.26Å; R472-W506 HydrophobicContact CB-CH2 3.95Å; R472-W506 HydrophobicContact CB-CZ3 3.61Å; R472-W506 HydrophobicContact CG-CH2 3.8Å; R472-W506 HydrophobicContact CG-CZ2 4.32Å; R472-W506 HydrophobicContact CG-CZ3 3.98Å; R472-W506 PolarHBondContact NE-O 2.81Å; R472-V507 HydrophobicContact CB-CG2 4.22Å; R472-V507 VanDerWaalsContact CZ-O 3.24Å; R472-V507 PolarHBondContact NE-O 3.07Å; R472-V507 PolarHBondContact NH2-O 2.81Å
473	A	98.6	Very high	97	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-41.5	176.5	0	0	0	0	0	111.7	I469 L470 Q475 R476 Q477 I478 L480 V507	I469-A473 WeakPolarHBondContact O-CB 3.4Å; I469-A473 PolarHBondContact O-N 3.38Å; L470-A473 WeakPolarHBondContact O-CB 3.19Å; L470-A473 PolarHBondContact O-N 2.78Å; L470-A473 VanDerWaalsContact O-N 3.16Å; A473-Q475 PolarHBondContact O-N 3.08Å; A473-R476 CarbonylContact O-C 3.47Å; A473-R476 WeakPolarHBondContact O-CA 3.41Å; A473-R476 PolarHBondContact O-N 3.47Å; A473-Q477 PolarHBondContact O-N 3.1Å; A473-I478 HydrophobicContact CB-CB 4.21Å; A473-I478 HydrophobicContact CB-CG2 4.37Å; A473-I478 WeakPolarHBondContact CB-O 3.42Å; A473-I478 PolarHBondContact O-N 2.86Å; A473-L480 HydrophobicContact CB-CD1 4.48Å; A473-V507 HydrophobicContact CB-CG1 3.91Å; A473-V507 HydrophobicContact CB-CG2 4.3Å
474	V	98.3	Very high	96.9	Very high	84 Å²	84	57.8 Å²	57.8	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-43.3	172.5	166	0	0	0	0	111.8	W150 L470 R472 R476 Q477	W150-V474 HydrophobicContact CH2-CB 4.16Å; W150-V474 HydrophobicContact CH2-CG1 4.1Å; W150-V474 HydrophobicContact CH2-CG2 3.99Å; W150-V474 HydrophobicContact CZ3-CG2 4.18Å; L470-V474 VanDerWaalsContact O-CG2 3.31Å; L470-V474 WeakPolarHBondContact O-CG2 3.39Å; L470-V474 PolarHBondContact O-N 2.86Å; R472-V474 VanDerWaalsContact C-N 3.33Å; R472-V474 PolarHBondContact O-N 3.05Å; V474-R476 PolarHBondContact O-N 2.68Å; V474-Q477 PolarHBondContact O-N 3.17Å; V474-Q477 VanDerWaalsContact O-N 3.11Å
475	Q	98.4	Very high	96.7	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	32%	0.32	S	S	*	.	H	α-helix	trans	-62.4	-23.4	175.5	-70.4	166.7	62.3	0	0	113.3	E471 R472 A473 W506	E471-Q475 WeakPolarHBondContact O-CG 3.4Å; E471-Q475 PolarHBondContact O-N 3.27Å; E471-Q475 PolarHBondContact O-NE2 3.08Å; R472-Q475 WeakPolarHBondContact O-CB 3.19Å; R472-Q475 PolarHBondContact O-N 2.88Å; R472-Q475 VanDerWaalsContact O-N 3.17Å; A473-Q475 PolarHBondContact O-N 3.08Å; Q475-W506 HydrophobicContact CB-CH2 4.39Å
476	R	98.5	Very high	96.8	Very high	91 Å²	91	62.5 Å²	62.5	34%	0.343	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4.2	176.7	-58.5	-55.8	177.2	143.6	-9.7	113.8	R151 R472 A473 V474 I478 D503 W506 V507	R151-R476 PolarHBondContact NH2-O 3.49Å; R472-R476 PolarHBondContact O-N 3.26Å; A473-R476 CarbonylContact O-C 3.47Å; A473-R476 WeakPolarHBondContact O-CA 3.41Å; A473-R476 PolarHBondContact O-N 3.47Å; V474-R476 PolarHBondContact O-N 2.68Å; R476-I478 VanDerWaalsContact C-N 3.28Å; R476-I478 HydrophobicContact CB-CD1 3.81Å; R476-I478 HydrophobicContact CB-CG1 4.06Å; R476-I478 PolarHBondContact O-N 3.17Å; R476-D503 VanDerWaalsContact CD-OD1 3.27Å; R476-D503 WeakPolarHBondContact CD-OD1 3.44Å; R476-D503 HydrophobicContact CG-CB 4.41Å; R476-D503 IonicContact CZ-OD1 2.7Å; R476-D503 IonicContact NE-OD1 2.74Å; R476-D503 IonicContact NH1-OD1 3.76Å; R476-D503 PolarHBondContact NH1-OD1 2.76Å; R476-W506 HydrophobicContact CG-CE3 3.84Å; R476-W506 HydrophobicContact CG-CZ3 3.65Å; R476-W506 VanDerWaalsContact NE-CE3 3.33Å; R476-W506 VanDerWaalsContact NE-CZ3 3.25Å; R476-V507 HydrophobicContact CB-CG2 4.4Å; R476-V507 HydrophobicContact CG-CG2 4.05Å
477	Q	98.7	Very high	97	Very high	113 Å²	113	62.9 Å²	62.9	53%	0.528	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.4	-174.2	-60.7	-175	-6.7	0	0	112.1	W150 R151 A473 V474	W150-Q477 WeakPolarHBondContact CB-O 3.46Å; W150-Q477 HydrophobicContact CD2-CB 3.8Å; W150-Q477 HydrophobicContact CD2-CG 4.36Å; W150-Q477 VanDerWaalsContact CE3-C 3.49Å; W150-Q477 HydrophobicContact CE3-CB 4.42Å; W150-Q477 HydrophobicContact CG-CB 3.84Å; W150-Q477 HydrophobicContact CZ2-CB 4.44Å; W150-Q477 HydrophobicContact CZ2-CG 4.15Å; R151-Q477 PolarHBondContact N-O 2.73Å; A473-Q477 PolarHBondContact O-N 3.1Å; V474-Q477 PolarHBondContact O-N 3.17Å; V474-Q477 VanDerWaalsContact O-N 3.11Å
478	I	98.9	Very high	97.2	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.9	177.2	-69.3	172.1	0	0	0	109.3	R151 Y153 A473 R476 L480 D503 L504 V507	R151-I478 HydrophobicContact CB-CG1 4.15Å; R151-I478 CarbonylContact O-C 3.53Å; R151-I478 VanDerWaalsContact O-CA 3.28Å; R151-I478 WeakPolarHBondContact O-CA 3.16Å; Y153-I478 HydrophobicContact CD2-CG2 3.73Å; Y153-I478 HydrophobicContact CE2-CD1 4.35Å; Y153-I478 HydrophobicContact CE2-CG1 4.26Å; Y153-I478 HydrophobicContact CE2-CG2 4.07Å; A473-I478 HydrophobicContact CB-CB 4.21Å; A473-I478 HydrophobicContact CB-CG2 4.37Å; A473-I478 WeakPolarHBondContact CB-O 3.42Å; A473-I478 PolarHBondContact O-N 2.86Å; R476-I478 VanDerWaalsContact C-N 3.28Å; R476-I478 HydrophobicContact CB-CD1 3.81Å; R476-I478 HydrophobicContact CB-CG1 4.06Å; R476-I478 PolarHBondContact O-N 3.17Å; I478-L480 HydrophobicContact CG2-CD2 3.73Å; I478-L480 HydrophobicContact CG2-CG 4.21Å; I478-D503 HydrophobicContact CD1-CB 4.06Å; I478-L504 HydrophobicContact CD1-CD2 4.19Å; I478-L504 HydrophobicContact CD1-CG 4.32Å; I478-L504 HydrophobicContact CG2-CD2 4.17Å; I478-V507 HydrophobicContact CD1-CG2 4.39Å
479	N	98.9	Very high	97.3	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.053	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.2	164.8	-61.4	-57.1	0	0	0	110.5	W150 R151 S152 Y153 I154 V603 Q607	W150-N479 WeakPolarHBondContact CB-ND2 3.49Å; R151-N479 PolarHBondContact O-N 3.33Å; S152-N479 PolarHBondContact OG-ND2 3.33Å; Y153-N479 PolarHBondContact N-O 3.31Å; I154-N479 HydrophobicContact CD1-CB 3.8Å; I154-N479 HydrophobicContact CG1-CB 3.89Å; N479-V603 WeakPolarHBondContact ND2-CG1 2.69Å; N479-Q607 PolarHBondContact ND2-OE1 3.36Å; N479-Q607 PolarHBondContact OD1-NE2 3.19Å; N479-Q607 PolarHBondContact OD1-OE1 3.32Å
480	L	98.8	Very high	97.3	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156	171.5	-55.9	-178.5	0	0	0	108.7	I469 L470 A473 I478 L488 V490 L504 V507 F508	I469-L480 HydrophobicContact CG2-CD1 4.19Å; L470-L480 HydrophobicContact CD2-CB 4.42Å; A473-L480 HydrophobicContact CB-CD1 4.48Å; I478-L480 HydrophobicContact CG2-CD2 3.73Å; I478-L480 HydrophobicContact CG2-CG 4.21Å; L480-L488 HydrophobicContact CD1-CD1 4.11Å; L480-V490 HydrophobicContact CD2-CG1 4.02Å; L480-V490 HydrophobicContact CD2-CG2 4.1Å; L480-L504 HydrophobicContact CD2-CD2 4.11Å; L480-V507 HydrophobicContact CD1-CG1 4.34Å; L480-F508 HydrophobicContact CD1-CE2 3.88Å; L480-F508 HydrophobicContact CD1-CZ 3.82Å
481	R	98.6	Very high	97.4	Very high	27 Å²	27	51.4 Å²	51.4	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.8	170.8	-177.2	177.2	176.9	-173.9	-3.9	109.7	I154 M156 T289 Y483 L488 G489	I154-R481 HydrophobicContact CG2-CB 4.21Å; M156-R481 HydrophobicContact SD-CG 4.05Å; T289-R481 PolarHBondContact O-NH1 2.97Å; T289-R481 PolarHBondContact OG1-NH1 3.2Å; T289-R481 PolarHBondContact OG1-NH2 3.15Å; T289-R481 VanDerWaalsContact OG1-NH2 3.12Å; R481-Y483 HydrophobicContact CG-CE2 4.38Å; R481-Y483 PolarHBondContact NH1-OH 3.38Å; R481-Y483 VanDerWaalsContact NH1-OH 3.12Å; R481-L488 CarbonylContact O-C 3.49Å; R481-L488 WeakPolarHBondContact O-CA 3.22Å; R481-G489 PolarHBondContact N-O 2.81Å; R481-G489 PolarHBondContact O-N 2.92Å
482	V	97.9	Very high	97.4	Very high	86 Å²	86	47 Å²	47	52%	0.521	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.1	171.1	-175.6	0	0	0	0	108.3	L470 L488	L470-V482 HydrophobicContact CD1-CG2 4.06Å; L470-V482 HydrophobicContact CD2-CG2 4.31Å; V482-L488 HydrophobicContact CB-CD2 4.42Å; V482-L488 HydrophobicContact CG1-CD2 4.46Å; V482-L488 HydrophobicContact CG2-CD2 3.93Å
483	Y	95.3	Very high	97.5	Very high	60 Å²	60	44.4 Å²	44.4	24%	0.235	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-43.9	173.6	-67.8	-89.1	0	0	0	111.6	T289 D290 K459 R481 V487	T289-Y483 PolarHBondContact O-OH 2.9Å; D290-Y483 WeakPolarHBondContact OD1-CE1 3.16Å; K459-Y483 HydrophobicContact CB-CE2 4.28Å; K459-Y483 HydrophobicContact CD-CD2 4.39Å; K459-Y483 HydrophobicContact CD-CE1 4.17Å; K459-Y483 HydrophobicContact CD-CE2 3.97Å; K459-Y483 HydrophobicContact CG-CD2 4.16Å; K459-Y483 HydrophobicContact CG-CE2 3.72Å; R481-Y483 HydrophobicContact CG-CE2 4.38Å; R481-Y483 PolarHBondContact NH1-OH 3.38Å; R481-Y483 VanDerWaalsContact NH1-OH 3.12Å; Y483-V487 HydrophobicContact CD2-CG1 3.99Å; Y483-V487 HydrophobicContact CG-CG1 4.3Å; Y483-V487 PolarHBondContact N-O 2.94Å
484	S	93.1	Very high	97.5	Very high	61 Å²	61	45.4 Å²	45.4	43%	0.427	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	-179.7	-179.7	64.5	0	0	0	0	109	G486 V487	S484-G486 PolarHBondContact O-N 3.17Å; S484-V487 PolarHBondContact O-N 3.46Å; S484-V487 WeakPolarHBondContact OG-CB 3.21Å; S484-V487 WeakPolarHBondContact OG-CG2 3.27Å
485	E	88.8	Confident	97.5	Very high	193 Å²	193	43.5 Å²	43.5	90%	0.902	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	139.2	159.6	-64.2	-164.3	135.3	0	0	110.1	V487	E485-V487 PolarHBondContact O-N 2.96Å; E485-V487 VanDerWaalsContact O-N 3.12Å
486	G	93.3	Very high	97.5	Very high	29 Å²	29	37.2 Å²	37.2	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-5.3	179.2	0	0	0	0	0	117.1	C462 S484	C462-G486 PolarHBondContact N-O 2.82Å; S484-G486 PolarHBondContact O-N 3.17Å
487	V	97.9	Very high	97.5	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.4	-175.2	-169.5	0	0	0	0	112.2	K459 V460 Y483 S484 E485	K459-V487 HydrophobicContact CG-CG1 4Å; V460-V487 WeakPolarHBondContact O-CA 3.31Å; Y483-V487 HydrophobicContact CD2-CG1 3.99Å; Y483-V487 HydrophobicContact CG-CG1 4.3Å; Y483-V487 PolarHBondContact N-O 2.94Å; S484-V487 PolarHBondContact O-N 3.46Å; S484-V487 WeakPolarHBondContact OG-CB 3.21Å; S484-V487 WeakPolarHBondContact OG-CG2 3.27Å; E485-V487 PolarHBondContact O-N 2.96Å; E485-V487 VanDerWaalsContact O-N 3.12Å
488	L	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.6	-178.8	-62.3	179.4	0	0	0	111.8	V460 A466 I469 L470 L480 R481 V482 F508	V460-L488 PolarHBondContact N-O 3.49Å; V460-L488 PolarHBondContact O-N 2.88Å; A466-L488 HydrophobicContact CB-CD1 4.3Å; A466-L488 HydrophobicContact CB-CD2 4.37Å; A466-L488 HydrophobicContact CB-CG 4.26Å; I469-L488 HydrophobicContact CB-CD1 4.12Å; I469-L488 HydrophobicContact CD1-CD1 4.44Å; I469-L488 HydrophobicContact CG2-CD1 3.7Å; L470-L488 HydrophobicContact CD1-CD2 4.31Å; L470-L488 HydrophobicContact CD2-CD2 4.22Å; L470-L488 HydrophobicContact CG-CD2 4.35Å; L480-L488 HydrophobicContact CD1-CD1 4.11Å; R481-L488 CarbonylContact O-C 3.49Å; R481-L488 WeakPolarHBondContact O-CA 3.22Å; V482-L488 HydrophobicContact CB-CD2 4.42Å; V482-L488 HydrophobicContact CG1-CD2 4.46Å; V482-L488 HydrophobicContact CG2-CD2 3.93Å; L488-F508 HydrophobicContact CD1-CE1 4.21Å; L488-F508 HydrophobicContact CD1-CZ 4.35Å
489	G	98.6	Very high	97.5	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.2	171.9	0	0	0	0	0	111.5	L458 R481	L458-G489 CarbonylContact O-C 3.49Å; L458-G489 VanDerWaalsContact O-CA 3.3Å; L458-G489 WeakPolarHBondContact O-CA 3.29Å; R481-G489 PolarHBondContact N-O 2.81Å; R481-G489 PolarHBondContact O-N 2.92Å
490	V	98.8	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	110.9	174.9	-161.5	0	0	0	0	108.4	Y153 L438 T457 L458 L480 L492 L504 F508	Y153-V490 HydrophobicContact CG-CG1 4.42Å; L438-V490 HydrophobicContact CD2-CB 4.39Å; L438-V490 HydrophobicContact CD2-CG1 3.92Å; T457-V490 CarbonylContact C-O 3.59Å; T457-V490 WeakPolarHBondContact CA-O 3.28Å; L458-V490 PolarHBondContact N-O 2.93Å; L458-V490 PolarHBondContact O-N 3.45Å; L480-V490 HydrophobicContact CD2-CG1 4.02Å; L480-V490 HydrophobicContact CD2-CG2 4.1Å; V490-L492 HydrophobicContact CG1-CD2 3.96Å; V490-L504 HydrophobicContact CG1-CD1 4.36Å; V490-L504 HydrophobicContact CG1-CD2 4.18Å; V490-F508 HydrophobicContact CG2-CE2 3.68Å; V490-F508 HydrophobicContact CG2-CZ 3.58Å
491	S	98.9	Very high	97.5	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113	173.3	-67.4	0	0	0	0	109.9	Y153 G155 T457	Y153-S491 VanDerWaalsContact CA-O 3.26Å; Y153-S491 WeakPolarHBondContact CA-O 3.42Å; Y153-S491 VanDerWaalsContact CB-O 3.25Å; Y153-S491 WeakPolarHBondContact CB-O 3.39Å; Y153-S491 WeakPolarHBondContact CD1-O 3.47Å; Y153-S491 PolarHBondContact O-N 3Å; G155-S491 VanDerWaalsContact CA-CB 3.48Å; G155-S491 WeakPolarHBondContact CA-OG 3.14Å; T457-S491 VanDerWaalsContact CG2-OG 3.24Å; T457-S491 WeakPolarHBondContact CG2-OG 3.41Å; T457-S491 VanDerWaalsContact OG1-CB 3.32Å; T457-S491 WeakPolarHBondContact OG1-CB 3.35Å; T457-S491 PolarHBondContact OG1-OG 2.88Å
492	L	98.9	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.			trans	-82.8	163.2	175.7	-57.9	-168.6	0	0	0	111.4	Y153 A434 A435 L438 D456 V490 V496 L501 L504	Y153-L492 HydrophobicContact CD1-CD2 4.26Å; Y153-L492 HydrophobicContact CG-CD2 4.39Å; A434-L492 HydrophobicContact CB-CD1 3.98Å; A435-L492 HydrophobicContact CB-CD1 4.13Å; L438-L492 HydrophobicContact CB-CD1 4.37Å; L438-L492 HydrophobicContact CD2-CD1 4.08Å; L438-L492 HydrophobicContact CD2-CD2 4.04Å; L438-L492 HydrophobicContact CD2-CG 4.31Å; D456-L492 WeakPolarHBondContact CB-O 3.32Å; D456-L492 PolarHBondContact O-N 3.34Å; V490-L492 HydrophobicContact CG1-CD2 3.96Å; L492-V496 HydrophobicContact CB-CG2 4.09Å; L492-V496 HydrophobicContact CD1-CG1 4.5Å; L492-V496 HydrophobicContact CD2-CG2 4.11Å; L492-L501 HydrophobicContact CD1-CD2 3.94Å; L492-L504 HydrophobicContact CD2-CD1 3.67Å
493	D	98.9	Very high	97.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.216	C	C	.	.			trans	-149.8	-178.8	-177	67.2	49.3	0	0	0	112.5	N160 T495 V496	N160-D493 WeakPolarHBondContact CB-OD2 3.39Å; N160-D493 PolarHBondContact N-OD2 2.7Å; N160-D493 VanDerWaalsContact O-CB 3.24Å; N160-D493 WeakPolarHBondContact O-CB 3.5Å; N160-D493 VanDerWaalsContact O-CG 3.24Å; D493-T495 PolarHBondContact O-N 3.47Å; D493-T495 VanDerWaalsContact O-N 3.15Å; D493-T495 WeakPolarHBondContact OD1-CA 3.48Å; D493-T495 WeakPolarHBondContact OD1-CB 3.21Å; D493-T495 PolarHBondContact OD1-N 3.31Å; D493-T495 PolarHBondContact OD1-OG1 3.03Å; D493-V496 WeakPolarHBondContact O-CB 3.49Å; D493-V496 WeakPolarHBondContact O-CG2 3.37Å; D493-V496 PolarHBondContact O-N 2.71Å
494	E	98.8	Very high	97.7	Very high	23 Å²	23	39.6 Å²	39.6	11%	0.107	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.6	-176.5	176.2	-178.8	-161.4	0	0	112.8	C161 S162 Y415 I427 R430 V496	C161-E494 WeakPolarHBondContact CA-OE2 3.28Å; C161-E494 WeakPolarHBondContact CB-OE2 3.44Å; S162-E494 WeakPolarHBondContact CB-OE1 3.16Å; S162-E494 PolarHBondContact N-OE2 3.39Å; Y415-E494 PolarHBondContact OH-OE1 2.9Å; Y415-E494 VanDerWaalsContact OH-OE1 3.12Å; Y415-E494 PolarHBondContact OH-OE2 3.33Å; I427-E494 HydrophobicContact CG2-CB 3.98Å; I427-E494 HydrophobicContact CG2-CG 3.75Å; R430-E494 PolarHBondContact NH1-O 3.24Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 2.84Å
495	T	98.8	Very high	98	Very high	43 Å²	43	36.7 Å²	36.7	26%	0.264	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-9	-172.7	70.2	0	0	0	0	113.8	N160 D493 T497	N160-T495 HydrophobicContact CB-CG2 4.16Å; N160-T495 WeakPolarHBondContact ND2-CG2 3.33Å; N160-T495 PolarHBondContact ND2-OG1 3.48Å; D493-T495 PolarHBondContact O-N 3.47Å; D493-T495 VanDerWaalsContact O-N 3.15Å; D493-T495 WeakPolarHBondContact OD1-CA 3.48Å; D493-T495 WeakPolarHBondContact OD1-CB 3.21Å; D493-T495 PolarHBondContact OD1-N 3.31Å; D493-T495 PolarHBondContact OD1-OG1 3.03Å; T495-T497 PolarHBondContact O-N 3.47Å
496	V	98.8	Very high	98.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.158	C	C	.	.			trans	-64.4	128	178	174.9	0	0	0	0	110.9	Y153 R430 A434 L492 D493 E494 D500 L501	Y153-V496 HydrophobicContact CD1-CG2 4.38Å; Y153-V496 HydrophobicContact CE1-CG2 3.59Å; R430-V496 VanDerWaalsContact CZ-O 3.27Å; R430-V496 PolarHBondContact NH1-O 2.66Å; R430-V496 PolarHBondContact NH2-O 3.19Å; A434-V496 HydrophobicContact CB-CG1 4.37Å; L492-V496 HydrophobicContact CB-CG2 4.09Å; L492-V496 HydrophobicContact CD1-CG1 4.5Å; L492-V496 HydrophobicContact CD2-CG2 4.11Å; D493-V496 WeakPolarHBondContact O-CB 3.49Å; D493-V496 WeakPolarHBondContact O-CG2 3.37Å; D493-V496 PolarHBondContact O-N 2.71Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 2.84Å; V496-D500 HydrophobicContact CG1-CB 4.11Å; V496-L501 HydrophobicContact CG1-CD2 4.12Å; V496-L501 HydrophobicContact CG1-CG 4.03Å
497	T	98.6	Very high	98.7	Very high	63 Å²	63	30.7 Å²	30.7	39%	0.387	14%	0.144	S	C	.	.			trans	-110	173.2	172.2	71.5	0	0	0	0	111.5	T495 R499 D500 L501	T495-T497 PolarHBondContact O-N 3.47Å; T497-R499 VanDerWaalsContact C-N 3.26Å; T497-R499 PolarHBondContact O-N 3.45Å; T497-R499 PolarHBondContact OG1-N 2.95Å; T497-D500 WeakPolarHBondContact CA-OD2 3.35Å; T497-D500 VanDerWaalsContact CB-OD2 3.31Å; T497-D500 WeakPolarHBondContact CB-OD2 3Å; T497-D500 PolarHBondContact N-OD2 2.92Å; T497-D500 WeakPolarHBondContact O-CB 3.37Å; T497-D500 PolarHBondContact O-N 3.02Å; T497-D500 PolarHBondContact OG1-OD2 3.32Å; T497-L501 PolarHBondContact O-N 2.93Å
498	E	98.5	Very high	98.7	Very high	114 Å²	114	29.9 Å²	29.9	53%	0.533	14%	0.139	S	C	.	.	H	α-helix	trans	-52.7	-43.4	171.4	-179.1	175.8	-156.3	0	0	112.4	D500 L501 D502 A514	E498-D500 VanDerWaalsContact C-N 3.27Å; E498-D500 PolarHBondContact O-N 2.75Å; E498-L501 CarbonylContact O-C 3.59Å; E498-L501 WeakPolarHBondContact O-CA 3.47Å; E498-L501 WeakPolarHBondContact O-CB 3.31Å; E498-L501 PolarHBondContact O-N 3.32Å; E498-L501 VanDerWaalsContact O-N 3.09Å; E498-D502 PolarHBondContact O-N 3.45Å; E498-A514 HydrophobicContact CG-CB 4.27Å
499	R	98.6	Very high	98.6	Very high	183 Å²	183	32 Å²	32	69%	0.691	16%	0.16	S	C	*	.	H	α-helix	trans	-61.9	-33.5	176	177.5	-180	172.4	179.1	-0.3	112.9	T497 D503	T497-R499 VanDerWaalsContact C-N 3.26Å; T497-R499 PolarHBondContact O-N 3.45Å; T497-R499 PolarHBondContact OG1-N 2.95Å; R499-D503 WeakPolarHBondContact O-CB 3.26Å; R499-D503 PolarHBondContact O-N 3.16Å
500	D	98.8	Very high	98.5	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-73.1	-34.4	176.4	-57.1	-69.2	0	0	0	111.1	R151 V496 T497 E498 L504	R151-D500 WeakPolarHBondContact CD-OD1 3.49Å; R151-D500 IonicContact CZ-OD1 3.56Å; R151-D500 IonicContact NE-OD1 3.59Å; R151-D500 IonicContact NH1-OD1 3.28Å; R151-D500 PolarHBondContact NH1-OD1 2.89Å; V496-D500 HydrophobicContact CG1-CB 4.11Å; T497-D500 WeakPolarHBondContact CA-OD2 3.35Å; T497-D500 VanDerWaalsContact CB-OD2 3.31Å; T497-D500 WeakPolarHBondContact CB-OD2 3Å; T497-D500 PolarHBondContact N-OD2 2.92Å; T497-D500 WeakPolarHBondContact O-CB 3.37Å; T497-D500 PolarHBondContact O-N 3.02Å; T497-D500 PolarHBondContact OG1-OD2 3.32Å; E498-D500 VanDerWaalsContact C-N 3.27Å; E498-D500 PolarHBondContact O-N 2.75Å; D500-L504 WeakPolarHBondContact O-CB 3.31Å; D500-L504 WeakPolarHBondContact O-CD1 3.11Å; D500-L504 VanDerWaalsContact O-CG 3.24Å; D500-L504 WeakPolarHBondContact O-CG 3.5Å; D500-L504 PolarHBondContact O-N 2.97Å
501	L	98.8	Very high	98.3	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-43.6	170	-67	173.1	0	0	0	111.5	A434 I437 L438 L492 V496 T497 E498 L504 L505 A514	A434-L501 HydrophobicContact CB-CD1 4.08Å; A434-L501 HydrophobicContact CB-CD2 4.22Å; I437-L501 HydrophobicContact CG2-CD1 4.22Å; L438-L501 HydrophobicContact CB-CD2 4.1Å; L492-L501 HydrophobicContact CD1-CD2 3.94Å; V496-L501 HydrophobicContact CG1-CD2 4.12Å; V496-L501 HydrophobicContact CG1-CG 4.03Å; T497-L501 PolarHBondContact O-N 2.93Å; E498-L501 CarbonylContact O-C 3.59Å; E498-L501 WeakPolarHBondContact O-CA 3.47Å; E498-L501 WeakPolarHBondContact O-CB 3.31Å; E498-L501 PolarHBondContact O-N 3.32Å; E498-L501 VanDerWaalsContact O-N 3.09Å; L501-L504 PolarHBondContact O-N 3.29Å; L501-L505 WeakPolarHBondContact O-CB 3.44Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 2.86Å; L501-A514 HydrophobicContact CB-CB 3.8Å; L501-A514 HydrophobicContact CD1-CB 4.27Å
502	D	98.8	Very high	98.2	Very high	57 Å²	57	43 Å²	43	31%	0.305	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-45	175.3	-75	-24.8	0	0	0	112.4	E498 L504 L505 W506 S513 A514	E498-D502 PolarHBondContact O-N 3.45Å; D502-L504 VanDerWaalsContact C-N 3.28Å; D502-L504 PolarHBondContact O-N 2.82Å; D502-L505 PolarHBondContact O-N 3.47Å; D502-W506 WeakPolarHBondContact O-CB 3.47Å; D502-W506 PolarHBondContact O-N 3.46Å; D502-S513 WeakPolarHBondContact OD1-CA 3.22Å; D502-S513 WeakPolarHBondContact OD1-CB 3.34Å; D502-A514 PolarHBondContact OD1-N 3.05Å
503	D	98.8	Very high	98.1	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-40.8	173.4	-87.5	-30.2	0	0	0	110.9	R151 R476 I478 R499 V507	R151-D503 IonicContact CZ-OD2 3.89Å; R151-D503 VanDerWaalsContact CZ-OD2 3.23Å; R151-D503 IonicContact NH1-OD2 2.77Å; R151-D503 PolarHBondContact NH1-OD2 2.89Å; R151-D503 IonicContact NH2-OD2 3.98Å; R151-D503 PolarHBondContact NH2-OD2 2.86Å; R476-D503 VanDerWaalsContact CD-OD1 3.27Å; R476-D503 WeakPolarHBondContact CD-OD1 3.44Å; R476-D503 HydrophobicContact CG-CB 4.41Å; R476-D503 IonicContact CZ-OD1 2.7Å; R476-D503 IonicContact NE-OD1 2.74Å; R476-D503 IonicContact NH1-OD1 3.76Å; R476-D503 PolarHBondContact NH1-OD1 2.76Å; I478-D503 HydrophobicContact CD1-CB 4.06Å; R499-D503 WeakPolarHBondContact O-CB 3.26Å; R499-D503 PolarHBondContact O-N 3.16Å; D503-V507 WeakPolarHBondContact O-CB 3.19Å; D503-V507 WeakPolarHBondContact O-CG2 3.49Å; D503-V507 PolarHBondContact O-N 3.07Å
504	L	98.8	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-43.9	177	-78.6	168.7	0	0	0	113.1	Y153 L438 I478 L480 V490 L492 D500 L501 D502 W506 V507 F508	Y153-L504 HydrophobicContact CD2-CD1 3.99Å; Y153-L504 HydrophobicContact CD2-CD2 3.94Å; Y153-L504 HydrophobicContact CD2-CG 4.36Å; Y153-L504 HydrophobicContact CE2-CD1 3.84Å; Y153-L504 HydrophobicContact CE2-CD2 4.19Å; Y153-L504 HydrophobicContact CE2-CG 4.18Å; L438-L504 HydrophobicContact CD1-CB 3.94Å; L438-L504 HydrophobicContact CD2-CD1 4.11Å; I478-L504 HydrophobicContact CD1-CD2 4.19Å; I478-L504 HydrophobicContact CD1-CG 4.32Å; I478-L504 HydrophobicContact CG2-CD2 4.17Å; L480-L504 HydrophobicContact CD2-CD2 4.11Å; V490-L504 HydrophobicContact CG1-CD1 4.36Å; V490-L504 HydrophobicContact CG1-CD2 4.18Å; L492-L504 HydrophobicContact CD2-CD1 3.67Å; D500-L504 WeakPolarHBondContact O-CB 3.31Å; D500-L504 WeakPolarHBondContact O-CD1 3.11Å; D500-L504 VanDerWaalsContact O-CG 3.24Å; D500-L504 WeakPolarHBondContact O-CG 3.5Å; D500-L504 PolarHBondContact O-N 2.97Å; L501-L504 PolarHBondContact O-N 3.29Å; D502-L504 VanDerWaalsContact C-N 3.28Å; D502-L504 PolarHBondContact O-N 2.82Å; L504-W506 VanDerWaalsContact C-N 3.31Å; L504-W506 PolarHBondContact O-N 3.36Å; L504-V507 WeakPolarHBondContact O-CB 3.47Å; L504-V507 PolarHBondContact O-N 3.32Å; L504-F508 WeakPolarHBondContact O-CD2 3.37Å; L504-F508 PolarHBondContact O-N 3.29Å
505	L	98.8	Very high	98	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-45	175.2	-73.3	169.5	0	0	0	110.3	L438 L501 D502 F508 G509 C510 A514 I517	L438-L505 HydrophobicContact CD1-CD2 4.2Å; L438-L505 HydrophobicContact CD1-CG 4.47Å; L501-L505 WeakPolarHBondContact O-CB 3.44Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 2.86Å; D502-L505 PolarHBondContact O-N 3.47Å; L505-F508 PolarHBondContact O-N 3.2Å; L505-G509 PolarHBondContact O-N 3.15Å; L505-C510 HydrophobicContact CB-CB 4.11Å; L505-C510 HydrophobicContact CD2-CB 3.99Å; L505-C510 WeakPolarHBondContact O-CB 3.32Å; L505-C510 PolarHBondContact O-N 3.33Å; L505-A514 HydrophobicContact CD1-CB 4.21Å; L505-I517 HydrophobicContact CD1-CG1 4.4Å
506	W	98.6	Very high	97.9	Very high	95 Å²	95	50.5 Å²	50.5	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-40.2	173.6	178.8	83.5	0	0	0	113.2	R472 Q475 R476 D502 L504 F508 G509	R472-W506 HydrophobicContact CB-CE3 4.26Å; R472-W506 HydrophobicContact CB-CH2 3.95Å; R472-W506 HydrophobicContact CB-CZ3 3.61Å; R472-W506 HydrophobicContact CG-CH2 3.8Å; R472-W506 HydrophobicContact CG-CZ2 4.32Å; R472-W506 HydrophobicContact CG-CZ3 3.98Å; R472-W506 PolarHBondContact NE-O 2.81Å; Q475-W506 HydrophobicContact CB-CH2 4.39Å; R476-W506 HydrophobicContact CG-CE3 3.84Å; R476-W506 HydrophobicContact CG-CZ3 3.65Å; R476-W506 VanDerWaalsContact NE-CE3 3.33Å; R476-W506 VanDerWaalsContact NE-CZ3 3.25Å; D502-W506 WeakPolarHBondContact O-CB 3.47Å; D502-W506 PolarHBondContact O-N 3.46Å; L504-W506 VanDerWaalsContact C-N 3.31Å; L504-W506 PolarHBondContact O-N 3.36Å; W506-F508 VanDerWaalsContact C-N 3.28Å; W506-F508 PolarHBondContact O-N 3.05Å; W506-G509 PolarHBondContact O-N 3.48Å
507	V	98.6	Very high	97.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-41.8	174.4	157.2	0	0	0	0	111.3	I469 R472 A473 R476 I478 L480 D503 L504 G509	I469-V507 HydrophobicContact CG2-CG1 3.74Å; R472-V507 HydrophobicContact CB-CG2 4.22Å; R472-V507 VanDerWaalsContact CZ-O 3.24Å; R472-V507 PolarHBondContact NE-O 3.07Å; R472-V507 PolarHBondContact NH2-O 2.81Å; A473-V507 HydrophobicContact CB-CG1 3.91Å; A473-V507 HydrophobicContact CB-CG2 4.3Å; R476-V507 HydrophobicContact CB-CG2 4.4Å; R476-V507 HydrophobicContact CG-CG2 4.05Å; I478-V507 HydrophobicContact CD1-CG2 4.39Å; L480-V507 HydrophobicContact CD1-CG1 4.34Å; D503-V507 WeakPolarHBondContact O-CB 3.19Å; D503-V507 WeakPolarHBondContact O-CG2 3.49Å; D503-V507 PolarHBondContact O-N 3.07Å; L504-V507 WeakPolarHBondContact O-CB 3.47Å; L504-V507 PolarHBondContact O-N 3.32Å; V507-G509 VanDerWaalsContact C-N 3.35Å
508	F	98.4	Very high	97.7	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-81.9	-10.2	175.8	-80	-84.1	0	0	0	114.1	L442 H447 V460 I469 L480 L488 V490 L504 L505 W506	L442-F508 HydrophobicContact CD2-CB 3.36Å; L442-F508 HydrophobicContact CD2-CD1 3.98Å; L442-F508 HydrophobicContact CD2-CD2 3.66Å; L442-F508 HydrophobicContact CD2-CE2 4.44Å; L442-F508 HydrophobicContact CD2-CG 3.38Å; H447-F508 AromaticContact CD2-CD1 3.47Å; H447-F508 VanDerWaalsContact CD2-CD1 3.47Å; H447-F508 WeakPolarHBondContact CD2-CD1 3.43Å; H447-F508 PolarHBondContact CE1-O 3.07Å; H447-F508 WeakPolarHBondContact NE2-CB 3.32Å; H447-F508 AromaticContact NE2-CD1 3.39Å; H447-F508 WeakPolarHBondContact NE2-CD1 3.23Å; H447-F508 AromaticContact NE2-CG 3.89Å; H447-F508 PolarHBondContact NE2-O 3.08Å; H447-F508 VanDerWaalsContact NE2-O 3.08Å; V460-F508 HydrophobicContact CG1-CE1 4.14Å; I469-F508 HydrophobicContact CD1-CD1 3.85Å; I469-F508 HydrophobicContact CD1-CE1 4.16Å; I469-F508 HydrophobicContact CG1-CD1 4.38Å; I469-F508 HydrophobicContact CG2-CD1 3.87Å; I469-F508 HydrophobicContact CG2-CD2 4.44Å; I469-F508 HydrophobicContact CG2-CE1 3.85Å; I469-F508 HydrophobicContact CG2-CE2 4.39Å; I469-F508 HydrophobicContact CG2-CG 4.2Å; I469-F508 HydrophobicContact CG2-CZ 4.11Å; L480-F508 HydrophobicContact CD1-CE2 3.88Å; L480-F508 HydrophobicContact CD1-CZ 3.82Å; L488-F508 HydrophobicContact CD1-CE1 4.21Å; L488-F508 HydrophobicContact CD1-CZ 4.35Å; V490-F508 HydrophobicContact CG2-CE2 3.68Å; V490-F508 HydrophobicContact CG2-CZ 3.58Å; L504-F508 WeakPolarHBondContact O-CD2 3.37Å; L504-F508 PolarHBondContact O-N 3.29Å; L505-F508 PolarHBondContact O-N 3.2Å; W506-F508 VanDerWaalsContact C-N 3.28Å; W506-F508 PolarHBondContact O-N 3.05Å
509	G	96.8	Very high	97.5	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	25	176.7	0	0	0	0	0	114.3	L505 W506 V507	L505-G509 PolarHBondContact O-N 3.15Å; W506-G509 PolarHBondContact O-N 3.48Å; V507-G509 VanDerWaalsContact C-N 3.35Å
510	C	96.5	Very high	97.2	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.088	24%	0.244	C	C	.	.			trans	-79.4	118.3	171.8	-167.5	0	0	0	0	110.2	G441 A445 L505 S512	G441-C510 PolarHBondContact O-SG 3.42Å; A445-C510 HydrophobicContact CB-CB 4.07Å; L505-C510 HydrophobicContact CB-CB 4.11Å; L505-C510 HydrophobicContact CD2-CB 3.99Å; L505-C510 WeakPolarHBondContact O-CB 3.32Å; L505-C510 PolarHBondContact O-N 3.33Å; C510-S512 PolarHBondContact O-N 3Å
511	E	94.5	Very high	96.9	Very high	203 Å²	203	47.3 Å²	47.3	95%	0.949	25%	0.247	S	C	*	.	S	Bend	trans	-80.7	56.8	176.2	-61.6	-175	166.6	0	0	111.5
512	S	96.1	Very high	96.5	Very high	23 Å²	23	48.8 Å²	48.8	16%	0.161	26%	0.264	C	S	.	.	S	Bend	trans	-155.4	145.3	178.7	-172.4	0	0	0	0	110.4	C510 L516	C510-S512 PolarHBondContact O-N 3Å; S512-L516 WeakPolarHBondContact OG-CB 3.45Å
513	S	97.3	Very high	95.8	Very high	32 Å²	32	56 Å²	56	22%	0.224	30%	0.296	C	S	.	.			trans	-77	164.2	166.9	61.4	0	0	0	0	111.9	D502 E515 L516 I517	D502-S513 WeakPolarHBondContact OD1-CA 3.22Å; D502-S513 WeakPolarHBondContact OD1-CB 3.34Å; S513-E515 VanDerWaalsContact C-N 3.34Å; S513-L516 PolarHBondContact O-N 2.75Å; S513-L516 WeakPolarHBondContact OG-CB 3.47Å; S513-L516 WeakPolarHBondContact OG-CG 3.36Å; S513-L516 PolarHBondContact OG-N 3.08Å; S513-I517 WeakPolarHBondContact O-CG1 3.36Å; S513-I517 PolarHBondContact O-N 3.38Å; S513-I517 VanDerWaalsContact O-N 3.12Å
514	A	97.4	Very high	95	Very high	5 Å²	5	65.3 Å²	65.3	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-42.1	173.5	0	0	0	0	0	112.2	I437 E498 L501 D502 L505 I517 A518	I437-A514 HydrophobicContact CG2-CB 4.21Å; E498-A514 HydrophobicContact CG-CB 4.27Å; L501-A514 HydrophobicContact CB-CB 3.8Å; L501-A514 HydrophobicContact CD1-CB 4.27Å; D502-A514 PolarHBondContact OD1-N 3.05Å; L505-A514 HydrophobicContact CD1-CB 4.21Å; A514-I517 PolarHBondContact O-N 3.5Å; A514-I517 VanDerWaalsContact O-N 3.16Å; A514-A518 PolarHBondContact O-N 2.98Å
515	E	97.4	Very high	94.1	Very high	119 Å²	119	70.4 Å²	70.4	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-53.2	-55.3	171.8	-179.4	-177.2	-135.9	0	0	111.4	S513 I517 A518 E519	S513-E515 VanDerWaalsContact C-N 3.34Å; E515-I517 PolarHBondContact O-N 3.33Å; E515-I517 VanDerWaalsContact O-N 3.12Å; E515-A518 WeakPolarHBondContact O-CB 3.38Å; E515-A518 PolarHBondContact O-N 2.93Å; E515-E519 PolarHBondContact O-N 2.89Å
516	L	97.3	Very high	93.5	Very high	70 Å²	70	74.1 Å²	74.1	37%	0.366	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-15.9	179.3	-74.7	175.2	0	0	0	113.8	S512 S513 E519 K520	S512-L516 WeakPolarHBondContact OG-CB 3.45Å; S513-L516 PolarHBondContact O-N 2.75Å; S513-L516 WeakPolarHBondContact OG-CB 3.47Å; S513-L516 WeakPolarHBondContact OG-CG 3.36Å; S513-L516 PolarHBondContact OG-N 3.08Å; L516-E519 WeakPolarHBondContact CD2-OE2 3.45Å; L516-K520 WeakPolarHBondContact O-CD 3.39Å; L516-K520 WeakPolarHBondContact O-CE 3.32Å; L516-K520 VanDerWaalsContact O-CG 3.23Å; L516-K520 WeakPolarHBondContact O-CG 3.3Å; L516-K520 PolarHBondContact O-NZ 2.9Å
517	I	96.9	Very high	93.3	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-85.8	-42.9	169.3	-65	-64	0	0	0	110.3	I437 E440 L505 S513 A514 E515 K520 M521	I437-I517 HydrophobicContact CG2-CB 4.23Å; I437-I517 HydrophobicContact CG2-CG2 4.02Å; I437-I517 WeakPolarHBondContact O-CG2 3.44Å; E440-I517 HydrophobicContact CB-CG2 3.9Å; E440-I517 HydrophobicContact CG-CG2 3.93Å; L505-I517 HydrophobicContact CD1-CG1 4.4Å; S513-I517 WeakPolarHBondContact O-CG1 3.36Å; S513-I517 PolarHBondContact O-N 3.38Å; S513-I517 VanDerWaalsContact O-N 3.12Å; A514-I517 PolarHBondContact O-N 3.5Å; A514-I517 VanDerWaalsContact O-N 3.16Å; E515-I517 PolarHBondContact O-N 3.33Å; E515-I517 VanDerWaalsContact O-N 3.12Å; I517-K520 PolarHBondContact O-N 2.97Å; I517-M521 HydrophobicContact CG2-CG 4.43Å; I517-M521 HydrophobicContact CG2-SD 3.88Å; I517-M521 WeakPolarHBondContact O-CG 3.3Å; I517-M521 PolarHBondContact O-N 3.22Å
518	A	95.6	Very high	93.2	Very high	41 Å²	41	70.5 Å²	70.5	34%	0.339	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-43.5	177.8	0	0	0	0	0	112.3	I437 A514 E515 K520 M521 G522	I437-A518 HydrophobicContact CD1-CB 4.24Å; I437-A518 HydrophobicContact CG1-CB 4.48Å; A514-A518 PolarHBondContact O-N 2.98Å; E515-A518 WeakPolarHBondContact O-CB 3.38Å; E515-A518 PolarHBondContact O-N 2.93Å; A518-K520 PolarHBondContact O-N 3.06Å; A518-M521 WeakPolarHBondContact O-CB 3.34Å; A518-M521 PolarHBondContact O-N 3.46Å; A518-M521 VanDerWaalsContact O-N 3.12Å; A518-G522 PolarHBondContact O-N 3.5Å
519	E	94.9	Very high	93	Very high	132 Å²	132	72.3 Å²	72.3	62%	0.617	38%	0.379	S	S	*	.	H	α-helix	trans	-53.9	-50.4	172	-72.3	-170.9	141.3	0	0	111.8	E515 L516 M521 G522	E515-E519 PolarHBondContact O-N 2.89Å; L516-E519 WeakPolarHBondContact CD2-OE2 3.45Å; E519-M521 PolarHBondContact O-N 3.5Å; E519-G522 PolarHBondContact O-N 2.95Å
520	K	92.9	Very high	92.9	Very high	105 Å²	105	73 Å²	73	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-18.5	-178.9	-64.9	172.5	-163.2	127.7	0	112.5	L516 I517 A518	L516-K520 WeakPolarHBondContact O-CD 3.39Å; L516-K520 WeakPolarHBondContact O-CE 3.32Å; L516-K520 VanDerWaalsContact O-CG 3.23Å; L516-K520 WeakPolarHBondContact O-CG 3.3Å; L516-K520 PolarHBondContact O-NZ 2.9Å; I517-K520 PolarHBondContact O-N 2.97Å; A518-K520 PolarHBondContact O-N 3.06Å
521	M	92.4	Very high	92.9	Very high	33 Å²	33	73.4 Å²	73.4	16%	0.163	39%	0.389	C	S	.	.	H	α-helix	trans	-78.8	-45.7	169.8	-76.5	171.5	61.4	0	0	111.4	L436 I437 E440 I517 A518 E519 K526	L436-M521 HydrophobicContact CB-CE 3.92Å; I437-M521 HydrophobicContact CB-SD 4.42Å; I437-M521 HydrophobicContact CG1-CE 4.18Å; I437-M521 HydrophobicContact CG1-SD 3.9Å; E440-M521 HydrophobicContact CB-CG 4.25Å; E440-M521 HydrophobicContact CB-SD 3.82Å; E440-M521 HydrophobicContact CG-CG 3.84Å; E440-M521 HydrophobicContact CG-SD 4.08Å; I517-M521 HydrophobicContact CG2-CG 4.43Å; I517-M521 HydrophobicContact CG2-SD 3.88Å; I517-M521 WeakPolarHBondContact O-CG 3.3Å; I517-M521 PolarHBondContact O-N 3.22Å; A518-M521 WeakPolarHBondContact O-CB 3.34Å; A518-M521 PolarHBondContact O-N 3.46Å; A518-M521 VanDerWaalsContact O-N 3.12Å; E519-M521 PolarHBondContact O-N 3.5Å; M521-K526 VanDerWaalsContact C-NZ 3.31Å; M521-K526 VanDerWaalsContact CA-NZ 3.32Å; M521-K526 HydrophobicContact CE-CD 4.46Å; M521-K526 PolarHBondContact O-NZ 2.85Å
522	G	89.1	Confident	93	Very high	40 Å²	40	69.3 Å²	69.3	41%	0.412	38%	0.38	S	S	.	.			trans	64.8	169	-173.2	0	0	0	0	0	114.1	A518 E519 R524	A518-G522 PolarHBondContact O-N 3.5Å; E519-G522 PolarHBondContact O-N 2.95Å; G522-R524 PolarHBondContact O-N 3.41Å
523	E	85.5	Confident	93.1	Very high	207 Å²	207	69.6 Å²	69.6	97%	0.967	38%	0.378	S	S	*	.	S	Bend	trans	-69.7	12.5	-171.1	-55.3	-177.1	157.3	0	0	115.6	V525	E523-V525 PolarHBondContact O-N 3.35Å
524	R	80.3	Confident	93.1	Very high	207 Å²	207	72.3 Å²	72.3	78%	0.781	39%	0.386	S	S	*	.			trans	-69.6	129.7	178.9	-66.1	-172.9	-176.5	-173.6	2.3	110.3	G522 K526	G522-R524 PolarHBondContact O-N 3.41Å; R524-K526 WeakPolarHBondContact O-CG 3.3Å; R524-K526 PolarHBondContact O-N 3.4Å
525	V	80.2	Confident	93.2	Very high	107 Å²	107	73.1 Å²	73.1	65%	0.648	39%	0.388	S	S	*	.			trans	-55.6	125.5	173.6	-173.3	0	0	0	0	110	E523 M529	E523-V525 PolarHBondContact O-N 3.35Å; V525-M529 VanDerWaalsContact CG1-C 3.41Å; V525-M529 HydrophobicContact CG1-CB 3.77Å; V525-M529 VanDerWaalsContact CG1-O 3.29Å; V525-M529 WeakPolarHBondContact CG1-O 3.43Å
526	K	86.9	Confident	93.2	Very high	78 Å²	78	73.3 Å²	73.3	34%	0.339	40%	0.397	S	S	.	.			trans	-138.6	172.8	-173.7	-77.7	168.8	-171	172.4	0	111.1	L436 M521 R524 M529	L436-K526 HydrophobicContact CD1-CB 4.38Å; M521-K526 VanDerWaalsContact C-NZ 3.31Å; M521-K526 VanDerWaalsContact CA-NZ 3.32Å; M521-K526 HydrophobicContact CE-CD 4.46Å; M521-K526 PolarHBondContact O-NZ 2.85Å; R524-K526 WeakPolarHBondContact O-CG 3.3Å; R524-K526 PolarHBondContact O-N 3.4Å; K526-M529 PolarHBondContact O-N 3.45Å
527	G	93.9	Very high	93.3	Very high	19 Å²	19	71.8 Å²	71.8	20%	0.196	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	58.2	-141.1	176.9	0	0	0	0	0	112.3	M529 G530 S531	G527-M529 PolarHBondContact O-N 3.32Å; G527-G530 PolarHBondContact O-N 3.46Å; G527-G530 VanDerWaalsContact O-N 3.13Å; G527-S531 PolarHBondContact O-N 2.83Å
528	I	96.6	Very high	93.3	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-52.5	-44.6	-178.7	-67.5	165.7	0	0	0	111.2	V321 L322 H432 M453 F454 F455 G530 S531 K534	V321-I528 HydrophobicContact CB-CG2 4.35Å; V321-I528 HydrophobicContact CG2-CD1 4.21Å; V321-I528 HydrophobicContact CG2-CG2 4.37Å; V321-I528 VanDerWaalsContact O-CG2 3.32Å; V321-I528 WeakPolarHBondContact O-CG2 3.37Å; L322-I528 HydrophobicContact CD1-CD1 4.5Å; L322-I528 HydrophobicContact CD2-CB 4.44Å; L322-I528 HydrophobicContact CD2-CD1 3.69Å; L322-I528 HydrophobicContact CD2-CG1 3.8Å; L322-I528 HydrophobicContact CD2-CG2 3.78Å; L322-I528 HydrophobicContact CG-CD1 3.96Å; L322-I528 HydrophobicContact CG-CG2 4.39Å; H432-I528 PolarHBondContact NE2-N 2.77Å; M453-I528 HydrophobicContact CE-CG1 3.93Å; F454-I528 WeakPolarHBondContact O-CD1 3.22Å; F455-I528 HydrophobicContact CB-CD1 4.03Å; F455-I528 HydrophobicContact CD2-CD1 3.94Å; F455-I528 HydrophobicContact CG-CD1 4.48Å; I528-G530 PolarHBondContact O-N 3.33Å; I528-S531 WeakPolarHBondContact CA-OG 3.28Å; I528-S531 WeakPolarHBondContact O-CB 3.42Å; I528-S531 PolarHBondContact O-N 2.77Å; I528-S531 PolarHBondContact O-OG 3.11Å; I528-K534 WeakPolarHBondContact O-CB 3.35Å
529	M	94.9	Very high	93.5	Very high	40 Å²	40	79 Å²	79	20%	0.197	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-68.1	-17.6	-173.7	-61.4	-57.6	-70.6	0	0	114.3	V321 E429 V525 K526 G527 K534	V321-M529 HydrophobicContact CB-SD 4.29Å; V321-M529 HydrophobicContact CG1-SD 4.3Å; E429-M529 WeakPolarHBondContact OE1-CE 3.47Å; V525-M529 VanDerWaalsContact CG1-C 3.41Å; V525-M529 HydrophobicContact CG1-CB 3.77Å; V525-M529 VanDerWaalsContact CG1-O 3.29Å; V525-M529 WeakPolarHBondContact CG1-O 3.43Å; K526-M529 PolarHBondContact O-N 3.45Å; G527-M529 PolarHBondContact O-N 3.32Å; M529-K534 HydrophobicContact SD-CG 4.3Å
530	G	94.6	Very high	93.6	Very high	57 Å²	57	72.8 Å²	72.8	59%	0.588	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-103.9	7.8	173.5	0	0	0	0	0	114	G527 I528	G527-G530 PolarHBondContact O-N 3.46Å; G527-G530 VanDerWaalsContact O-N 3.13Å; I528-G530 PolarHBondContact O-N 3.33Å
531	S	96.4	Very high	93.9	Very high	23 Å²	23	72.3 Å²	72.3	16%	0.161	39%	0.393	C	S	.	.	S	Bend	trans	-116.3	163.5	-170.4	79.4	0	0	0	0	113.2	G527 I528 F533 K534	G527-S531 PolarHBondContact O-N 2.83Å; I528-S531 WeakPolarHBondContact CA-OG 3.28Å; I528-S531 WeakPolarHBondContact O-CB 3.42Å; I528-S531 PolarHBondContact O-N 2.77Å; I528-S531 PolarHBondContact O-OG 3.11Å; S531-F533 PolarHBondContact O-N 3.29Å; S531-F533 VanDerWaalsContact O-N 3.08Å; S531-F533 PolarHBondContact OG-N 2.83Å; S531-F533 VanDerWaalsContact OG-N 3.16Å; S531-K534 WeakPolarHBondContact O-CB 3.37Å; S531-K534 PolarHBondContact O-N 3Å; S531-K534 VanDerWaalsContact O-N 3.15Å
532	P	95.9	Very high	94.1	Very high	116 Å²	116	72 Å²	72	75%	0.753	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.4	169.6	-22.1	34.6	0	0	0	115.1
533	F	98.1	Very high	94.5	Very high	29 Å²	29	75 Å²	75	13%	0.127	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.1	175.4	-59.6	-76.5	0	0	0	113.4	Y286 V293 D295 L322 R323 M453 S531 R535	Y286-F533 HydrophobicContact CE2-CD1 4.49Å; V293-F533 HydrophobicContact CG1-CB 3.93Å; V293-F533 HydrophobicContact CG1-CD1 3.59Å; V293-F533 HydrophobicContact CG1-CD2 3.86Å; V293-F533 HydrophobicContact CG1-CE1 4.01Å; V293-F533 HydrophobicContact CG1-CE2 4.25Å; V293-F533 HydrophobicContact CG1-CG 3.51Å; V293-F533 HydrophobicContact CG1-CZ 4.31Å; D295-F533 HydrophobicContact CB-CE1 3.9Å; D295-F533 HydrophobicContact CB-CZ 4.07Å; L322-F533 CarbonylContact C-O 3.53Å; L322-F533 WeakPolarHBondContact CA-O 3.39Å; L322-F533 HydrophobicContact CD2-CB 3.86Å; R323-F533 PolarHBondContact N-O 2.99Å; M453-F533 HydrophobicContact CE-CD2 4.16Å; S531-F533 PolarHBondContact O-N 3.29Å; S531-F533 VanDerWaalsContact O-N 3.08Å; S531-F533 PolarHBondContact OG-N 2.83Å; S531-F533 VanDerWaalsContact OG-N 3.16Å; F533-R535 PolarHBondContact O-N 2.89Å
534	K	98.3	Very high	95	Very high	90 Å²	90	65.4 Å²	65.4	39%	0.391	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-58.1	131.1	177.2	-177.1	-174	-178.7	170.1	0	111.5	I528 M529 S531 T536	I528-K534 WeakPolarHBondContact O-CB 3.35Å; M529-K534 HydrophobicContact SD-CG 4.3Å; S531-K534 WeakPolarHBondContact O-CB 3.37Å; S531-K534 PolarHBondContact O-N 3Å; S531-K534 VanDerWaalsContact O-N 3.15Å; K534-T536 PolarHBondContact O-N 2.82Å
535	R	98.6	Very high	95.9	Very high	21 Å²	21	55.5 Å²	55.5	8%	0.079	31%	0.313	C	S	.	.			trans	-64.1	129.9	170.8	-166.9	167.5	-177.1	142.9	8.2	111.4	D205 I206 L319 V321 L322 F533 S537	D205-R535 PolarHBondContact O-NH2 3.1Å; I206-R535 PolarHBondContact O-NH1 2.8Å; L319-R535 VanDerWaalsContact O-CD 3.27Å; L319-R535 WeakPolarHBondContact O-CD 3.44Å; L319-R535 PolarHBondContact O-NH1 3.29Å; V321-R535 PolarHBondContact O-N 3.25Å; L322-R535 WeakPolarHBondContact O-CB 3.49Å; F533-R535 PolarHBondContact O-N 2.89Å; R535-S537 PolarHBondContact NE-O 3.1Å; R535-S537 PolarHBondContact NE-OG 2.9Å; R535-S537 PolarHBondContact NH2-OG 3.29Å; R535-S537 VanDerWaalsContact NH2-OG 3.15Å
536	T	98.1	Very high	96.8	Very high	123 Å²	123	54 Å²	54	76%	0.755	30%	0.301	S	S	*	.			trans	-115.4	-20.7	173.1	53.7	0	0	0	0	112.9	K534	K534-T536 PolarHBondContact O-N 2.82Å
537	S	98.3	Very high	97.2	Very high	38 Å²	38	52 Å²	52	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-70.1	149.8	172.7	59.4	0	0	0	0	112.7	E327 R535	E327-S537 WeakPolarHBondContact OE1-CB 3.26Å; E327-S537 PolarHBondContact OE1-OG 3.48Å; R535-S537 PolarHBondContact NE-O 3.1Å; R535-S537 PolarHBondContact NE-OG 2.9Å; R535-S537 PolarHBondContact NH2-OG 3.29Å; R535-S537 VanDerWaalsContact NH2-OG 3.15Å
538	K	98.4	Very high	97.4	Very high	181 Å²	181	52.9 Å²	52.9	79%	0.787	29%	0.294	S	S	*	.			trans	-79.6	159.2	168.8	-59.4	-179.6	-177.2	177.9	0	109.8	T541	K538-T541 HydrophobicContact CB-CG2 3.7Å; K538-T541 HydrophobicContact CD-CG2 4.17Å
539	F	98.8	Very high	97.5	Very high	14 Å²	14	56.8 Å²	56.8	6%	0.061	31%	0.312	C	S	.	.			trans	-147.2	156.7	173.3	58.2	-75.9	0	0	0	108.4	D205 I206 C320 P421 L424 K425 T541	D205-F539 HydrophobicContact CB-CB 4.04Å; I206-F539 HydrophobicContact CD1-CD2 4.5Å; I206-F539 HydrophobicContact CG1-CB 4.49Å; I206-F539 HydrophobicContact CG1-CD2 3.88Å; C320-F539 HydrophobicContact CB-CE2 4.2Å; C320-F539 HydrophobicContact CB-CZ 3.79Å; P421-F539 HydrophobicContact CB-CD2 4.42Å; P421-F539 HydrophobicContact CB-CE2 4.21Å; P421-F539 HydrophobicContact CB-CZ 4.47Å; P421-F539 WeakPolarHBondContact CB-O 3.3Å; L424-F539 HydrophobicContact CB-CE2 4.5Å; K425-F539 HydrophobicContact CB-CZ 4.36Å; F539-T541 VanDerWaalsContact C-N 3.3Å; F539-T541 PolarHBondContact O-N 3.26Å
540	L	98.4	Very high	97.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.32	C	S	.	.			trans	54.2	43	-178.8	-51.8	180	0	0	0	112.9	M202 D205 A416 P421 L424 H542 F545 N546	M202-L540 HydrophobicContact CB-CD2 3.98Å; M202-L540 HydrophobicContact CG-CD2 4.08Å; D205-L540 HydrophobicContact CB-CD2 4.34Å; D205-L540 VanDerWaalsContact OD2-CA 3.24Å; D205-L540 WeakPolarHBondContact OD2-CA 3.46Å; D205-L540 PolarHBondContact OD2-N 2.97Å; A416-L540 HydrophobicContact CB-CD1 4.19Å; P421-L540 HydrophobicContact CB-CB 4.12Å; P421-L540 HydrophobicContact CG-CB 4.19Å; L424-L540 HydrophobicContact CD1-CD1 3.55Å; L540-H542 VanDerWaalsContact C-N 3.3Å; L540-F545 HydrophobicContact CB-CB 3.73Å; L540-F545 HydrophobicContact CB-CD1 4.42Å; L540-F545 HydrophobicContact CB-CD2 3.89Å; L540-F545 HydrophobicContact CB-CG 3.78Å; L540-F545 HydrophobicContact CD1-CD1 4.29Å; L540-F545 HydrophobicContact CD1-CG 4.43Å; L540-F545 HydrophobicContact CD2-CD1 3.87Å; L540-F545 HydrophobicContact CD2-CD2 3.87Å; L540-F545 HydrophobicContact CD2-CE1 3.81Å; L540-F545 HydrophobicContact CD2-CE2 3.82Å; L540-F545 HydrophobicContact CD2-CG 3.91Å; L540-F545 HydrophobicContact CD2-CZ 3.79Å; L540-F545 HydrophobicContact CG-CD1 4.41Å; L540-F545 HydrophobicContact CG-CD2 4.42Å; L540-F545 HydrophobicContact CG-CG 4.23Å; L540-N546 PolarHBondContact O-ND2 3.32Å
541	T	97.8	Very high	97.9	Very high	96 Å²	96	59.6 Å²	59.6	59%	0.589	32%	0.315	S	S	*	.			trans	-79.4	-11.6	179.9	51.7	0	0	0	0	113.5	K538 F539	K538-T541 HydrophobicContact CB-CG2 3.7Å; K538-T541 HydrophobicContact CD-CG2 4.17Å; F539-T541 VanDerWaalsContact C-N 3.3Å; F539-T541 PolarHBondContact O-N 3.26Å
542	H	97.8	Very high	98	Very high	25 Å²	25	62.4 Å²	62.4	12%	0.116	33%	0.332	C	S	.	.	S	Bend	trans	-67.8	141.4	175.1	-171	-116.8	0	0	0	111.5	L540 V544 F545 N546 C1022 P1023	L540-H542 VanDerWaalsContact C-N 3.3Å; H542-V544 HydrophobicContact CB-CG1 4.46Å; H542-V544 VanDerWaalsContact ND1-CG1 3.31Å; H542-V544 WeakPolarHBondContact ND1-CG1 3.22Å; H542-V544 PolarHBondContact O-N 2.83Å; H542-F545 HydrophobicContact CB-CD2 4.08Å; H542-F545 HydrophobicContact CB-CE2 4.28Å; H542-F545 PolarHBondContact O-N 2.95Å; H542-N546 PolarHBondContact O-ND2 2.93Å; H542-C1022 WeakPolarHBondContact ND1-CB 3.34Å; H542-P1023 PolarHBondContact NE2-O 3.12Å; H542-P1023 VanDerWaalsContact NE2-O 3.16Å
543	Q	96.5	Very high	98.1	Very high	103 Å²	103	59.7 Å²	59.7	48%	0.481	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.5	-173.6	177.7	171.4	-15.8	0	0	113.4	F545 N546 S547 M1025	Q543-F545 PolarHBondContact O-N 2.98Å; Q543-N546 CarbonylContact O-C 3.48Å; Q543-N546 WeakPolarHBondContact O-CA 3.26Å; Q543-N546 PolarHBondContact O-N 3.23Å; Q543-S547 VanDerWaalsContact CG-OG 3.27Å; Q543-S547 WeakPolarHBondContact CG-OG 3.21Å; Q543-S547 WeakPolarHBondContact O-CB 3.13Å; Q543-S547 PolarHBondContact O-N 2.94Å; Q543-S547 PolarHBondContact O-OG 3.47Å; Q543-M1025 HydrophobicContact CB-CG 3.52Å; Q543-M1025 HydrophobicContact CB-SD 3.85Å; Q543-M1025 HydrophobicContact CG-CE 4.47Å; Q543-M1025 HydrophobicContact CG-CG 4.22Å; Q543-M1025 HydrophobicContact CG-SD 4.25Å
544	V	97.3	Very high	98.2	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.036	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.2	-37	175.8	80.3	0	0	0	0	112.1	L417 H542 N546 Y548 Y557	L417-V544 HydrophobicContact CD2-CG2 3.9Å; L417-V544 HydrophobicContact CG-CG2 4.34Å; H542-V544 HydrophobicContact CB-CG1 4.46Å; H542-V544 VanDerWaalsContact ND1-CG1 3.31Å; H542-V544 WeakPolarHBondContact ND1-CG1 3.22Å; H542-V544 PolarHBondContact O-N 2.83Å; V544-N546 VanDerWaalsContact C-N 3.27Å; V544-N546 PolarHBondContact O-N 2.75Å; V544-Y548 HydrophobicContact CG2-CE2 3.93Å; V544-Y548 WeakPolarHBondContact O-CD2 3.08Å; V544-Y557 HydrophobicContact CG2-CE2 4.36Å
545	F	98.5	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-86.4	7.1	177.3	-52.7	-76.3	0	0	0	113.8	N198 T201 M202 A416 L417 G420 L540 H542 Q543 H549	N198-F545 HydrophobicContact CB-CZ 4.45Å; N198-F545 WeakPolarHBondContact O-CZ 3.38Å; T201-F545 HydrophobicContact CG2-CE2 3.96Å; T201-F545 HydrophobicContact CG2-CZ 4.39Å; M202-F545 HydrophobicContact CB-CE1 4.12Å; M202-F545 HydrophobicContact CB-CZ 4.11Å; A416-F545 HydrophobicContact CB-CD1 4.46Å; L417-F545 HydrophobicContact CD1-CD1 3.56Å; L417-F545 HydrophobicContact CD1-CE1 3.45Å; L417-F545 VanDerWaalsContact CD1-CE1 3.45Å; L417-F545 HydrophobicContact CD1-CZ 4.47Å; L417-F545 HydrophobicContact CG-CD1 4.09Å; L417-F545 HydrophobicContact CG-CE1 4.44Å; G420-F545 WeakPolarHBondContact CA-O 3.18Å; L540-F545 HydrophobicContact CB-CB 3.73Å; L540-F545 HydrophobicContact CB-CD1 4.42Å; L540-F545 HydrophobicContact CB-CD2 3.89Å; L540-F545 HydrophobicContact CB-CG 3.78Å; L540-F545 HydrophobicContact CD1-CD1 4.29Å; L540-F545 HydrophobicContact CD1-CG 4.43Å; L540-F545 HydrophobicContact CD2-CD1 3.87Å; L540-F545 HydrophobicContact CD2-CD2 3.87Å; L540-F545 HydrophobicContact CD2-CE1 3.81Å; L540-F545 HydrophobicContact CD2-CE2 3.82Å; L540-F545 HydrophobicContact CD2-CG 3.91Å; L540-F545 HydrophobicContact CD2-CZ 3.79Å; L540-F545 HydrophobicContact CG-CD1 4.41Å; L540-F545 HydrophobicContact CG-CD2 4.42Å; L540-F545 HydrophobicContact CG-CG 4.23Å; H542-F545 HydrophobicContact CB-CD2 4.08Å; H542-F545 HydrophobicContact CB-CE2 4.28Å; H542-F545 PolarHBondContact O-N 2.95Å; Q543-F545 PolarHBondContact O-N 2.98Å; F545-H549 PolarHBondContact O-CE1 3.05Å
546	N	98.1	Very high	98.2	Very high	76 Å²	76	63 Å²	63	41%	0.406	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-130.8	12.7	-174	-64.6	-89.3	0	0	0	112.5	L540 H542 Q543 V544 H549	L540-N546 PolarHBondContact O-ND2 3.32Å; H542-N546 PolarHBondContact O-ND2 2.93Å; Q543-N546 CarbonylContact O-C 3.48Å; Q543-N546 WeakPolarHBondContact O-CA 3.26Å; Q543-N546 PolarHBondContact O-N 3.23Å; V544-N546 VanDerWaalsContact C-N 3.27Å; V544-N546 PolarHBondContact O-N 2.75Å; N546-H549 VanDerWaalsContact CA-NE2 3.32Å; N546-H549 WeakPolarHBondContact CA-NE2 3.27Å
547	S	96.8	Very high	98.2	Very high	34 Å²	34	57.3 Å²	57.3	24%	0.238	29%	0.289	C	S	.	.	S	Bend	trans	-122.4	-22.4	-172.3	-62	0	0	0	0	115.5	Q543 N553	Q543-S547 VanDerWaalsContact CG-OG 3.27Å; Q543-S547 WeakPolarHBondContact CG-OG 3.21Å; Q543-S547 WeakPolarHBondContact O-CB 3.13Å; Q543-S547 PolarHBondContact O-N 2.94Å; Q543-S547 PolarHBondContact O-OG 3.47Å; S547-N553 PolarHBondContact O-ND2 3.17Å; S547-N553 VanDerWaalsContact O-ND2 3.14Å
548	Y	98.1	Very high	98.3	Very high	38 Å²	38	55.5 Å²	55.5	15%	0.149	28%	0.277	C	S	.	.			trans	-116.3	29	-163.7	-53.1	-66.9	0	0	0	114.3	L417 V544 S550 N553 I554 Y557 R560	L417-Y548 HydrophobicContact CD2-CD2 4.04Å; V544-Y548 HydrophobicContact CG2-CE2 3.93Å; V544-Y548 WeakPolarHBondContact O-CD2 3.08Å; Y548-S550 PolarHBondContact O-N 2.95Å; Y548-N553 HydrophobicContact CD1-CB 4.17Å; Y548-I554 WeakPolarHBondContact O-CB 3.33Å; Y548-Y557 HydrophobicContact CD1-CD2 4.21Å; Y548-Y557 HydrophobicContact CD1-CG 4.14Å; Y548-Y557 HydrophobicContact CD2-CD1 4.45Å; Y548-Y557 HydrophobicContact CD2-CD2 4.03Å; Y548-Y557 HydrophobicContact CD2-CE2 4.44Å; Y548-Y557 HydrophobicContact CD2-CG 4.04Å; Y548-Y557 AromaticContact CE1-CD2 3.69Å; Y548-Y557 HydrophobicContact CE1-CD2 3.69Å; Y548-Y557 HydrophobicContact CE1-CG 4.09Å; Y548-Y557 AromaticContact CE2-CD2 3.47Å; Y548-Y557 HydrophobicContact CE2-CD2 3.47Å; Y548-Y557 VanDerWaalsContact CE2-CD2 3.47Å; Y548-Y557 AromaticContact CE2-CE2 3.68Å; Y548-Y557 HydrophobicContact CE2-CE2 3.68Å; Y548-Y557 AromaticContact CE2-CG 3.97Å; Y548-Y557 HydrophobicContact CE2-CG 3.97Å; Y548-Y557 HydrophobicContact CG-CD2 4.39Å; Y548-Y557 HydrophobicContact CG-CG 4.15Å; Y548-Y557 AromaticContact CZ-CD2 3.29Å; Y548-Y557 AromaticContact CZ-CE2 3.78Å; Y548-R560 PolarHBondContact OH-NH2 3.16Å
549	H	98.3	Very high	98.3	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.38	26%	0.258	S	S	.	.			trans	-74.8	-19.1	-175.1	-53.9	-48.4	0	0	0	116	L417 Y418 F545 N546	L417-H549 PolarHBondContact O-ND1 3.48Å; Y418-H549 WeakPolarHBondContact CE2-O 3.31Å; Y418-H549 PolarHBondContact O-ND1 2.91Å; F545-H549 PolarHBondContact O-CE1 3.05Å; N546-H549 VanDerWaalsContact CA-NE2 3.32Å; N546-H549 WeakPolarHBondContact CA-NE2 3.27Å
550	S	98.5	Very high	98.3	Very high	51 Å²	51	56.1 Å²	56.1	36%	0.357	28%	0.276	S	S	.	.	S	Bend	trans	-86	145.1	172.3	71	0	0	0	0	110.2	Y548 T552 N553 I554	Y548-S550 PolarHBondContact O-N 2.95Å; S550-T552 PolarHBondContact O-N 2.79Å; S550-N553 WeakPolarHBondContact O-CA 3.28Å; S550-N553 PolarHBondContact O-N 2.88Å; S550-N553 VanDerWaalsContact OG-CB 3.29Å; S550-N553 WeakPolarHBondContact OG-CB 3.41Å; S550-N553 PolarHBondContact OG-N 3.46Å; S550-N553 PolarHBondContact OG-OD1 2.86Å; S550-I554 PolarHBondContact O-N 2.78Å
551	E	98.8	Very high	98.3	Very high	105 Å²	105	56.1 Å²	56.1	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-56.3	-41	179.5	-173.4	166.1	160.7	0	0	111.7	P166 N553 I554 V555	P166-E551 HydrophobicContact CB-CG 3.81Å; P166-E551 HydrophobicContact CG-CG 3.93Å; E551-N553 VanDerWaalsContact C-N 3.28Å; E551-N553 PolarHBondContact O-N 2.74Å; E551-I554 WeakPolarHBondContact O-CG2 3.36Å; E551-I554 PolarHBondContact O-N 3Å; E551-V555 HydrophobicContact CG-CG2 4.28Å; E551-V555 WeakPolarHBondContact O-CB 3.28Å; E551-V555 VanDerWaalsContact O-CG2 3.27Å; E551-V555 WeakPolarHBondContact O-CG2 3.08Å; E551-V555 PolarHBondContact O-N 3.02Å
552	T	98.7	Very high	98.4	Very high	83 Å²	83	52.3 Å²	52.3	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-55.1	-40.2	171.7	-54.1	0	0	0	0	112.9	S550 R556	S550-T552 PolarHBondContact O-N 2.79Å; T552-R556 WeakPolarHBondContact O-CB 3.44Å; T552-R556 WeakPolarHBondContact O-CD 3.4Å; T552-R556 WeakPolarHBondContact O-CG 3.45Å; T552-R556 PolarHBondContact O-N 2.77Å
553	N	98.7	Very high	98.4	Very high	59 Å²	59	55.5 Å²	55.5	32%	0.316	27%	0.27	S	S	.	.	H	α-helix	trans	-77.8	-41.5	-178.2	-75.6	10.1	0	0	0	112.3	S547 Y548 S550 E551 R556 Y557	S547-N553 PolarHBondContact O-ND2 3.17Å; S547-N553 VanDerWaalsContact O-ND2 3.14Å; Y548-N553 HydrophobicContact CD1-CB 4.17Å; S550-N553 WeakPolarHBondContact O-CA 3.28Å; S550-N553 PolarHBondContact O-N 2.88Å; S550-N553 VanDerWaalsContact OG-CB 3.29Å; S550-N553 WeakPolarHBondContact OG-CB 3.41Å; S550-N553 PolarHBondContact OG-N 3.46Å; S550-N553 PolarHBondContact OG-OD1 2.86Å; E551-N553 VanDerWaalsContact C-N 3.28Å; E551-N553 PolarHBondContact O-N 2.74Å; N553-R556 PolarHBondContact O-N 3.28Å; N553-Y557 WeakPolarHBondContact O-CB 3.49Å; N553-Y557 PolarHBondContact O-N 2.7Å
554	I	98.8	Very high	98.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-38.2	177.7	-161.1	67.2	0	0	0	111.6	P166 M414 L417 Y418 Y548 S550 E551 Y557 M558	P166-I554 HydrophobicContact CB-CG2 4.33Å; P166-I554 HydrophobicContact CG-CG2 4.4Å; M414-I554 HydrophobicContact SD-CD1 4.06Å; L417-I554 HydrophobicContact CB-CD1 3.99Å; Y418-I554 HydrophobicContact CD2-CB 3.84Å; Y418-I554 HydrophobicContact CD2-CG1 4.21Å; Y418-I554 HydrophobicContact CD2-CG2 3.65Å; Y418-I554 HydrophobicContact CE2-CB 4.39Å; Y418-I554 HydrophobicContact CE2-CG2 3.78Å; Y548-I554 WeakPolarHBondContact O-CB 3.33Å; S550-I554 PolarHBondContact O-N 2.78Å; E551-I554 WeakPolarHBondContact O-CG2 3.36Å; E551-I554 PolarHBondContact O-N 3Å; I554-Y557 HydrophobicContact CD1-CD1 4.49Å; I554-Y557 PolarHBondContact O-N 3.49Å; I554-M558 HydrophobicContact CG1-CE 4.12Å; I554-M558 HydrophobicContact CG2-CE 4.19Å; I554-M558 WeakPolarHBondContact O-CG 3.43Å; I554-M558 PolarHBondContact O-N 3.5Å
555	V	98.9	Very high	98.6	Very high	41 Å²	41	52.5 Å²	52.5	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-42.5	174.7	172.6	0	0	0	0	110.9	P166 E551 Y557 M558 K559	P166-V555 HydrophobicContact CB-CG2 3.96Å; E551-V555 HydrophobicContact CG-CG2 4.28Å; E551-V555 WeakPolarHBondContact O-CB 3.28Å; E551-V555 VanDerWaalsContact O-CG2 3.27Å; E551-V555 WeakPolarHBondContact O-CG2 3.08Å; E551-V555 PolarHBondContact O-N 3.02Å; V555-Y557 VanDerWaalsContact C-N 3.34Å; V555-Y557 PolarHBondContact O-N 2.89Å; V555-M558 HydrophobicContact CG2-CE 4.21Å; V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 PolarHBondContact O-N 3.16Å
556	R	98.8	Very high	98.6	Very high	168 Å²	168	52.5 Å²	52.5	63%	0.634	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-39.2	172.1	-77.2	170.2	176.8	175.6	-3.2	112.5	T552 N553 R560	T552-R556 WeakPolarHBondContact O-CB 3.44Å; T552-R556 WeakPolarHBondContact O-CD 3.4Å; T552-R556 WeakPolarHBondContact O-CG 3.45Å; T552-R556 PolarHBondContact O-N 2.77Å; N553-R556 PolarHBondContact O-N 3.28Å; R556-R560 WeakPolarHBondContact O-CB 3.14Å; R556-R560 PolarHBondContact O-N 3.1Å
557	Y	98.8	Very high	98.6	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-51.7	177.4	-175.3	-106.1	0	0	0	111.5	E194 N198 M414 L417 V544 Y548 N553 I554 V555 K559 R560 L561	E194-Y557 VanDerWaalsContact OE1-CE2 3.3Å; E194-Y557 WeakPolarHBondContact OE1-CE2 3.27Å; E194-Y557 PolarHBondContact OE1-OH 2.91Å; N198-Y557 PolarHBondContact ND2-OH 2.83Å; M414-Y557 HydrophobicContact CE-CD1 3.79Å; M414-Y557 HydrophobicContact CE-CE1 3.65Å; M414-Y557 HydrophobicContact SD-CD1 3.72Å; M414-Y557 HydrophobicContact SD-CE1 3.9Å; L417-Y557 HydrophobicContact CD2-CD1 3.64Å; L417-Y557 HydrophobicContact CD2-CE1 3.19Å; V544-Y557 HydrophobicContact CG2-CE2 4.36Å; Y548-Y557 HydrophobicContact CD1-CD2 4.21Å; Y548-Y557 HydrophobicContact CD1-CG 4.14Å; Y548-Y557 HydrophobicContact CD2-CD1 4.45Å; Y548-Y557 HydrophobicContact CD2-CD2 4.03Å; Y548-Y557 HydrophobicContact CD2-CE2 4.44Å; Y548-Y557 HydrophobicContact CD2-CG 4.04Å; Y548-Y557 AromaticContact CE1-CD2 3.69Å; Y548-Y557 HydrophobicContact CE1-CD2 3.69Å; Y548-Y557 HydrophobicContact CE1-CG 4.09Å; Y548-Y557 AromaticContact CE2-CD2 3.47Å; Y548-Y557 HydrophobicContact CE2-CD2 3.47Å; Y548-Y557 VanDerWaalsContact CE2-CD2 3.47Å; Y548-Y557 AromaticContact CE2-CE2 3.68Å; Y548-Y557 HydrophobicContact CE2-CE2 3.68Å; Y548-Y557 AromaticContact CE2-CG 3.97Å; Y548-Y557 HydrophobicContact CE2-CG 3.97Å; Y548-Y557 HydrophobicContact CG-CD2 4.39Å; Y548-Y557 HydrophobicContact CG-CG 4.15Å; Y548-Y557 AromaticContact CZ-CD2 3.29Å; Y548-Y557 AromaticContact CZ-CE2 3.78Å; N553-Y557 WeakPolarHBondContact O-CB 3.49Å; N553-Y557 PolarHBondContact O-N 2.7Å; I554-Y557 HydrophobicContact CD1-CD1 4.49Å; I554-Y557 PolarHBondContact O-N 3.49Å; V555-Y557 VanDerWaalsContact C-N 3.34Å; V555-Y557 PolarHBondContact O-N 2.89Å; Y557-K559 PolarHBondContact O-N 3.13Å; Y557-R560 VanDerWaalsContact CE2-NH2 3.27Å; Y557-R560 WeakPolarHBondContact O-CB 3.44Å; Y557-R560 PolarHBondContact O-N 3.07Å; Y557-R560 VanDerWaalsContact O-N 3.12Å; Y557-L561 HydrophobicContact CD1-CD1 4.35Å; Y557-L561 HydrophobicContact CE1-CD1 3.63Å; Y557-L561 HydrophobicContact CE1-CG 4.18Å; Y557-L561 HydrophobicContact CE2-CD2 4.28Å; Y557-L561 HydrophobicContact CE2-CG 4.48Å; Y557-L561 WeakPolarHBondContact O-CG 3.36Å; Y557-L561 PolarHBondContact O-N 3.49Å
558	M	98.9	Very high	98.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-46.8	176.7	-71.5	-177.5	-66.3	0	0	111.7	P166 I167 N170 L171 W177 M414 I554 V555 R560 L561 E562	P166-M558 WeakPolarHBondContact O-CE 3.48Å; I167-M558 HydrophobicContact CG1-SD 4.31Å; N170-M558 HydrophobicContact CB-CE 3.95Å; L171-M558 HydrophobicContact CB-SD 4.05Å; L171-M558 HydrophobicContact CD1-SD 4.27Å; W177-M558 PolarHBondContact NE1-O 3.47Å; M414-M558 HydrophobicContact CE-CG 3.84Å; M414-M558 HydrophobicContact CG-CG 4.19Å; M414-M558 HydrophobicContact CG-SD 4.3Å; M414-M558 HydrophobicContact SD-CG 3.61Å; M414-M558 HydrophobicContact SD-SD 4.39Å; I554-M558 HydrophobicContact CG1-CE 4.12Å; I554-M558 HydrophobicContact CG2-CE 4.19Å; I554-M558 WeakPolarHBondContact O-CG 3.43Å; I554-M558 PolarHBondContact O-N 3.5Å; V555-M558 HydrophobicContact CG2-CE 4.21Å; M558-R560 PolarHBondContact O-N 3.12Å; M558-L561 PolarHBondContact O-N 3.43Å; M558-E562 WeakPolarHBondContact O-CB 3.15Å; M558-E562 PolarHBondContact O-N 3.4Å
559	K	98.9	Very high	98.8	Very high	91 Å²	91	51.2 Å²	51.2	40%	0.396	25%	0.25	S	S	.	.	H	α-helix	trans	-69.2	-30.6	178.1	-170.8	53.4	171.8	155.8	0	113.1	V555 Y557 L561 E562 N563	V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 PolarHBondContact O-N 3.16Å; Y557-K559 PolarHBondContact O-N 3.13Å; K559-L561 VanDerWaalsContact C-N 3.33Å; K559-E562 HydrophobicContact CD-CB 4.28Å; K559-E562 WeakPolarHBondContact CD-OE2 3.5Å; K559-E562 VanDerWaalsContact NZ-CD 3.28Å; K559-E562 IonicContact NZ-OE1 3.41Å; K559-E562 PolarHBondContact NZ-OE1 3.48Å; K559-E562 IonicContact NZ-OE2 2.75Å; K559-N563 WeakPolarHBondContact CD-OD1 3.45Å; K559-N563 WeakPolarHBondContact CE-OD1 3.45Å; K559-N563 PolarHBondContact NZ-OD1 3.42Å; K559-N563 WeakPolarHBondContact O-CB 3.21Å; K559-N563 VanDerWaalsContact O-CG 3.29Å; K559-N563 PolarHBondContact O-N 2.9Å; K559-N563 VanDerWaalsContact O-N 3.09Å; K559-N563 PolarHBondContact O-OD1 3.12Å
560	R	98.8	Very high	98.8	Very high	117 Å²	117	51.3 Å²	51.3	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-34.7	172.5	-174.2	-178.1	76.6	178.9	8.5	111.9	E194 Y548 R556 Y557 M558 K564	E194-R560 IonicContact OE1-NH2 2.69Å; Y548-R560 PolarHBondContact OH-NH2 3.16Å; R556-R560 WeakPolarHBondContact O-CB 3.14Å; R556-R560 PolarHBondContact O-N 3.1Å; Y557-R560 VanDerWaalsContact CE2-NH2 3.27Å; Y557-R560 WeakPolarHBondContact O-CB 3.44Å; Y557-R560 PolarHBondContact O-N 3.07Å; Y557-R560 VanDerWaalsContact O-N 3.12Å; M558-R560 PolarHBondContact O-N 3.12Å; R560-K564 WeakPolarHBondContact O-CG 3.4Å
561	L	98.9	Very high	98.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-77.9	-44.6	175.3	-60.2	-164	0	0	0	111.7	W177 G191 E194 M414 Y557 M558 K559 N563 K564	W177-L561 HydrophobicContact CH2-CB 3.93Å; W177-L561 HydrophobicContact CH2-CD1 4.11Å; W177-L561 HydrophobicContact CZ2-CB 3.76Å; W177-L561 HydrophobicContact CZ2-CD1 4.48Å; G191-L561 WeakPolarHBondContact CA-O 3.35Å; E194-L561 HydrophobicContact CB-CD1 4.45Å; E194-L561 HydrophobicContact CB-CD2 4.26Å; E194-L561 VanDerWaalsContact CD-CD2 3.42Å; E194-L561 HydrophobicContact CG-CD2 4.28Å; E194-L561 VanDerWaalsContact OE2-CD2 3.24Å; E194-L561 WeakPolarHBondContact OE2-CD2 3.43Å; M414-L561 HydrophobicContact CE-CD1 3.79Å; Y557-L561 HydrophobicContact CD1-CD1 4.35Å; Y557-L561 HydrophobicContact CE1-CD1 3.63Å; Y557-L561 HydrophobicContact CE1-CG 4.18Å; Y557-L561 HydrophobicContact CE2-CD2 4.28Å; Y557-L561 HydrophobicContact CE2-CG 4.48Å; Y557-L561 WeakPolarHBondContact O-CG 3.36Å; Y557-L561 PolarHBondContact O-N 3.49Å; M558-L561 PolarHBondContact O-N 3.43Å; K559-L561 VanDerWaalsContact C-N 3.33Å; L561-N563 VanDerWaalsContact C-N 3.27Å; L561-N563 PolarHBondContact O-N 3.06Å; L561-K564 HydrophobicContact CD2-CD 4.49Å; L561-K564 WeakPolarHBondContact O-CB 3.38Å; L561-K564 PolarHBondContact O-N 2.74Å
562	E	98.9	Very high	98.8	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-50.7	-47	175.2	-167.6	-164.2	134.6	0	0	111.7	N174 M558 K559 K564 D565	N174-E562 VanDerWaalsContact ND2-CD 3.31Å; N174-E562 PolarHBondContact ND2-OE2 3.19Å; M558-E562 WeakPolarHBondContact O-CB 3.15Å; M558-E562 PolarHBondContact O-N 3.4Å; K559-E562 HydrophobicContact CD-CB 4.28Å; K559-E562 WeakPolarHBondContact CD-OE2 3.5Å; K559-E562 VanDerWaalsContact NZ-CD 3.28Å; K559-E562 IonicContact NZ-OE1 3.41Å; K559-E562 PolarHBondContact NZ-OE1 3.48Å; K559-E562 IonicContact NZ-OE2 2.75Å; E562-K564 PolarHBondContact O-N 2.93Å; E562-K564 VanDerWaalsContact O-N 3.07Å; E562-D565 PolarHBondContact O-N 3.25Å
563	N	98.8	Very high	98.8	Very high	92 Å²	92	41 Å²	41	49%	0.492	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-1.9	178.6	-71.6	9.3	0	0	0	114.6	K559 L561	K559-N563 WeakPolarHBondContact CD-OD1 3.45Å; K559-N563 WeakPolarHBondContact CE-OD1 3.45Å; K559-N563 PolarHBondContact NZ-OD1 3.42Å; K559-N563 WeakPolarHBondContact O-CB 3.21Å; K559-N563 VanDerWaalsContact O-CG 3.29Å; K559-N563 PolarHBondContact O-N 2.9Å; K559-N563 VanDerWaalsContact O-N 3.09Å; K559-N563 PolarHBondContact O-OD1 3.12Å; L561-N563 VanDerWaalsContact C-N 3.27Å; L561-N563 PolarHBondContact O-N 3.06Å
564	K	98.8	Very high	98.8	Very high	45 Å²	45	38.2 Å²	38.2	20%	0.196	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.1	169.3	-54.9	-174.3	-176.7	-178.7	0	113.2	V188 Q190 E194 R560 L561 E562 T1005	V188-K564 CarbonylContact C-O 3.57Å; V188-K564 VanDerWaalsContact C-O 3.29Å; Q190-K564 HydrophobicContact CB-CB 4.26Å; Q190-K564 HydrophobicContact CB-CD 3.8Å; E194-K564 IonicContact OE2-NZ 3.64Å; E194-K564 PolarHBondContact OE2-NZ 2.83Å; R560-K564 WeakPolarHBondContact O-CG 3.4Å; L561-K564 HydrophobicContact CD2-CD 4.49Å; L561-K564 WeakPolarHBondContact O-CB 3.38Å; L561-K564 PolarHBondContact O-N 2.74Å; E562-K564 PolarHBondContact O-N 2.93Å; E562-K564 VanDerWaalsContact O-N 3.07Å; K564-T1005 HydrophobicContact CB-CG2 3.81Å; K564-T1005 HydrophobicContact CG-CG2 4.04Å
565	D	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-113.4	119	-166.7	-83.9	25.4	0	0	0	111.2	V188 S189 Q190 G191 R192 E562 H570	V188-D565 WeakPolarHBondContact O-CA 3.27Å; S189-D565 VanDerWaalsContact CA-OD1 3.25Å; S189-D565 WeakPolarHBondContact CA-OD1 3.46Å; Q190-D565 PolarHBondContact N-OD1 2.98Å; G191-D565 WeakPolarHBondContact CA-OD1 3.48Å; G191-D565 PolarHBondContact N-OD1 3.34Å; R192-D565 VanDerWaalsContact CB-OD2 3.23Å; R192-D565 WeakPolarHBondContact CB-OD2 3.49Å; R192-D565 WeakPolarHBondContact CD-OD2 3.35Å; R192-D565 WeakPolarHBondContact CG-OD2 3.5Å; R192-D565 IonicContact CZ-OD2 3.5Å; R192-D565 PolarHBondContact N-OD1 2.88Å; R192-D565 PolarHBondContact N-OD2 2.78Å; R192-D565 VanDerWaalsContact N-OD2 3.09Å; R192-D565 IonicContact NE-OD2 3.22Å; R192-D565 IonicContact NH1-OD1 2.79Å; R192-D565 IonicContact NH1-OD2 3.65Å; R192-D565 PolarHBondContact NH1-OD2 2.74Å; E562-D565 PolarHBondContact O-N 3.25Å; D565-H570 PolarHBondContact O-CE1 3.19Å
566	I	98.8	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.167	C	C	.	.			trans	-74.8	139	169.9	-157.9	167.2	0	0	0	109.6	Q180 V188 H570 G909 H911 F1002	Q180-I566 WeakPolarHBondContact CB-O 3.24Å; V188-I566 HydrophobicContact CB-CB 4.13Å; V188-I566 HydrophobicContact CB-CG2 3.74Å; V188-I566 HydrophobicContact CG2-CG2 3.58Å; V188-I566 PolarHBondContact O-N 2.78Å; I566-H570 HydrophobicContact CG1-CB 4.13Å; I566-G909 WeakPolarHBondContact CD1-O 3.33Å; I566-H911 HydrophobicContact CG2-CB 3.87Å; I566-F1002 HydrophobicContact CB-CD1 4.34Å; I566-F1002 HydrophobicContact CB-CD2 4.45Å; I566-F1002 HydrophobicContact CB-CE1 4.02Å; I566-F1002 HydrophobicContact CB-CE2 4.12Å; I566-F1002 HydrophobicContact CB-CZ 3.9Å; I566-F1002 HydrophobicContact CD1-CD1 4.26Å; I566-F1002 HydrophobicContact CD1-CG 4.24Å; I566-F1002 HydrophobicContact CG1-CD1 4.5Å; I566-F1002 HydrophobicContact CG1-CD2 4.32Å; I566-F1002 HydrophobicContact CG1-CE2 4.44Å; I566-F1002 HydrophobicContact CG1-CG 4.35Å; I566-F1002 VanDerWaalsContact N-CZ 3.34Å
567	S	98.8	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.			trans	-161.3	167.8	-166	59.2	0	0	0	0	109	T179 V569 H570	T179-S567 WeakPolarHBondContact OG1-CB 3.38Å; S567-V569 PolarHBondContact O-N 2.69Å; S567-H570 PolarHBondContact N-ND1 2.85Å; S567-H570 WeakPolarHBondContact O-CB 3.31Å; S567-H570 PolarHBondContact O-N 2.91Å; S567-H570 PolarHBondContact O-ND1 2.84Å; S567-H570 PolarHBondContact OG-CE1 2.89Å; S567-H570 PolarHBondContact OG-ND1 2.82Å; S567-H570 VanDerWaalsContact OG-ND1 3.14Å
568	L	98.8	Very high	98.6	Very high	42 Å²	42	29.1 Å²	29.1	22%	0.22	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.6	-171.1	-58	178.3	0	0	0	114.6	T179 I573 M580	T179-L568 HydrophobicContact CG2-CB 4.28Å; T179-L568 PolarHBondContact OG1-N 3.09Å; L568-I573 HydrophobicContact CD2-CB 3.93Å; L568-I573 HydrophobicContact CD2-CD1 4.14Å; L568-I573 HydrophobicContact CD2-CG1 3.87Å; L568-M580 HydrophobicContact CD1-CE 4.39Å; L568-M580 HydrophobicContact CD2-CB 4.32Å
569	V	98.7	Very high	98.5	Very high	79 Å²	79	29.1 Å²	29.1	48%	0.479	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.5	168.1	-49.4	0	0	0	0	113.3	A175 S567	A175-V569 HydrophobicContact CB-CG1 3.48Å; A175-V569 VanDerWaalsContact CB-CG1 3.48Å; S567-V569 PolarHBondContact O-N 2.69Å
570	H	98.8	Very high	98.5	Very high	84 Å²	84	24.9 Å²	24.9	39%	0.389	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-52.6	-175.1	-56.8	98.3	0	0	0	112.9	D565 I566 S567 F1002	D565-H570 PolarHBondContact O-CE1 3.19Å; I566-H570 HydrophobicContact CG1-CB 4.13Å; S567-H570 PolarHBondContact N-ND1 2.85Å; S567-H570 WeakPolarHBondContact O-CB 3.31Å; S567-H570 PolarHBondContact O-N 2.91Å; S567-H570 PolarHBondContact O-ND1 2.84Å; S567-H570 PolarHBondContact OG-CE1 2.89Å; S567-H570 PolarHBondContact OG-ND1 2.82Å; S567-H570 VanDerWaalsContact OG-ND1 3.14Å; H570-F1002 AromaticContact CD2-CD2 3.58Å; H570-F1002 AromaticContact CE1-CE2 3.88Å; H570-F1002 AromaticContact NE2-CD2 3.66Å; H570-F1002 AromaticContact NE2-CE2 3.69Å
571	S	98.8	Very high	98.5	Very high	16 Å²	16	19.4 Å²	19.4	11%	0.112	10%	0.103	C	C	.	.	S	Bend	trans	-168.3	165.9	-173.9	51.6	0	0	0	0	110.8	G909 E935	S571-G909 PolarHBondContact OG-O 3.3Å; S571-E935 VanDerWaalsContact CA-OE1 3.24Å; S571-E935 WeakPolarHBondContact CA-OE1 3.47Å; S571-E935 WeakPolarHBondContact CB-OE1 3.36Å
572	M	98.8	Very high	98.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.118	C	C	.	.			trans	-55.9	137.3	174	176.1	177.6	57.5	0	0	111.3	P574 M860 F910 P927 E931 E935 F939	M572-P574 HydrophobicContact CE-CB 4.25Å; M572-P574 HydrophobicContact CE-CG 4.26Å; M572-P574 HydrophobicContact CG-CB 4.02Å; M572-P574 HydrophobicContact CG-CG 4.32Å; M572-P574 WeakPolarHBondContact O-CD 3.5Å; M572-P574 HydrophobicContact SD-CB 4.01Å; M572-M860 HydrophobicContact CE-CE 3.88Å; M572-F910 HydrophobicContact CB-CE1 4.41Å; M572-P927 HydrophobicContact SD-CB 3.84Å; M572-E931 VanDerWaalsContact CA-OE1 3.26Å; M572-E931 WeakPolarHBondContact CA-OE1 3.42Å; M572-E931 HydrophobicContact CB-CG 4.07Å; M572-E931 WeakPolarHBondContact CB-OE1 3.36Å; M572-E931 HydrophobicContact CG-CG 3.74Å; M572-E931 HydrophobicContact SD-CB 4.11Å; M572-E931 HydrophobicContact SD-CG 3.81Å; M572-E935 HydrophobicContact CB-CG 3.58Å; M572-E935 PolarHBondContact N-OE1 3.44Å; M572-F939 HydrophobicContact CE-CB 3.37Å; M572-F939 HydrophobicContact CE-CD1 4.19Å; M572-F939 HydrophobicContact CE-CD2 4.06Å; M572-F939 HydrophobicContact CE-CG 3.62Å
573	I	98.9	Very high	98.5	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.117	C	C	.	.			trans	-114.5	85.5	173.2	-61.6	-176.4	0	0	0	107.3	L568 L575 M580 H911	L568-I573 HydrophobicContact CD2-CB 3.93Å; L568-I573 HydrophobicContact CD2-CD1 4.14Å; L568-I573 HydrophobicContact CD2-CG1 3.87Å; I573-L575 HydrophobicContact CG2-CD1 3.61Å; I573-L575 HydrophobicContact CG2-CG 3.77Å; I573-L575 PolarHBondContact O-N 3.38Å; I573-M580 HydrophobicContact CB-CB 4.4Å; I573-M580 HydrophobicContact CB-CG 4.24Å; I573-M580 HydrophobicContact CG2-CE 4.44Å; I573-M580 HydrophobicContact CG2-CG 4.03Å; I573-M580 WeakPolarHBondContact O-CB 3.34Å; I573-M580 WeakPolarHBondContact O-CG 3.12Å; I573-H911 HydrophobicContact CB-CB 4.25Å; I573-H911 HydrophobicContact CD1-CB 4.28Å; I573-H911 HydrophobicContact CG1-CB 3.8Å; I573-H911 HydrophobicContact CG2-CB 3.92Å
574	P	98.6	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.			trans	-83.9	53.3	-166.6	33.8	-34.5	0	0	0	112.5	M572 G576 P913 I925 E926 F939	M572-P574 HydrophobicContact CE-CB 4.25Å; M572-P574 HydrophobicContact CE-CG 4.26Å; M572-P574 HydrophobicContact CG-CB 4.02Å; M572-P574 HydrophobicContact CG-CG 4.32Å; M572-P574 WeakPolarHBondContact O-CD 3.5Å; M572-P574 HydrophobicContact SD-CB 4.01Å; P574-G576 PolarHBondContact O-N 2.82Å; P574-P913 HydrophobicContact CG-CB 4.4Å; P574-P913 WeakPolarHBondContact O-CA 3.24Å; P574-P913 WeakPolarHBondContact O-CB 3.45Å; P574-I925 HydrophobicContact CB-CG2 4.14Å; P574-I925 WeakPolarHBondContact O-CA 3.36Å; P574-E926 CarbonylContact C-O 3.57Å; P574-E926 VanDerWaalsContact CA-O 3.25Å; P574-E926 WeakPolarHBondContact CA-O 3.36Å; P574-E926 PolarHBondContact O-N 3.24Å; P574-F939 HydrophobicContact CG-CD2 4.03Å; P574-F939 HydrophobicContact CG-CE1 4.12Å; P574-F939 HydrophobicContact CG-CE2 3.49Å; P574-F939 VanDerWaalsContact CG-CE2 3.49Å; P574-F939 HydrophobicContact CG-CZ 3.54Å
575	L	98.6	Very high	98.5	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-73.4	106.3	-179.5	-75.6	171	0	0	0	110.9	Y181 I573 C578 M580 A912 T914	Y181-L575 HydrophobicContact CD1-CD1 4.43Å; I573-L575 HydrophobicContact CG2-CD1 3.61Å; I573-L575 HydrophobicContact CG2-CG 3.77Å; I573-L575 PolarHBondContact O-N 3.38Å; L575-C578 HydrophobicContact CB-CB 3.71Å; L575-C578 VanDerWaalsContact O-CB 3.26Å; L575-C578 WeakPolarHBondContact O-CB 3.33Å; L575-C578 PolarHBondContact O-N 3.01Å; L575-C578 VanDerWaalsContact O-N 3.1Å; L575-M580 HydrophobicContact CB-CG 4.14Å; L575-M580 HydrophobicContact CD1-CG 4.45Å; L575-M580 HydrophobicContact CD1-SD 4.29Å; L575-A912 WeakPolarHBondContact CD2-O 3.02Å; L575-T914 WeakPolarHBondContact CA-OG1 3.21Å
576	G	97.7	Very high	98.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	139	169.3	0	0	0	0	0	113.9	P574 C578 T914 M924	P574-G576 PolarHBondContact O-N 2.82Å; G576-C578 PolarHBondContact O-N 3.36Å; G576-C578 PolarHBondContact O-SG 3.41Å; G576-T914 PolarHBondContact N-OG1 2.87Å; G576-T914 PolarHBondContact O-OG1 3.45Å; G576-M924 WeakPolarHBondContact CA-O 3.46Å; G576-M924 PolarHBondContact N-O 3.35Å
577	S	96.4	Very high	98.5	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.042	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	38	-169.8	-158.1	0	0	0	0	114.2	N750 K774 E882 E926	S577-N750 PolarHBondContact OG-OD1 3.47Å; S577-K774 WeakPolarHBondContact O-CE 2.98Å; S577-K774 PolarHBondContact O-NZ 3.15Å; S577-E882 PolarHBondContact N-OE2 2.98Å; S577-E926 WeakPolarHBondContact CA-OE2 3.2Å; S577-E926 PolarHBondContact N-OE2 2.85Å; S577-E926 VanDerWaalsContact N-OE2 3.12Å
578	C	97.5	Very high	98.5	Very high	10 Å²	10	22.3 Å²	22.3	7%	0.068	13%	0.129	C	C	.	.	S	Bend	trans	-126.5	-15.8	174.2	-60.3	0	0	0	0	113.7	Y181 L575 G576 M580 K774 H780 E926	Y181-C578 HydrophobicContact CD1-CB 4.16Å; Y181-C578 HydrophobicContact CE1-CB 4.2Å; L575-C578 HydrophobicContact CB-CB 3.71Å; L575-C578 VanDerWaalsContact O-CB 3.26Å; L575-C578 WeakPolarHBondContact O-CB 3.33Å; L575-C578 PolarHBondContact O-N 3.01Å; L575-C578 VanDerWaalsContact O-N 3.1Å; G576-C578 PolarHBondContact O-N 3.36Å; G576-C578 PolarHBondContact O-SG 3.41Å; C578-M580 HydrophobicContact CB-CG 4.26Å; C578-M580 HydrophobicContact CB-SD 4.03Å; C578-M580 PolarHBondContact O-N 2.82Å; C578-K774 WeakPolarHBondContact O-CG 3.29Å; C578-H780 PolarHBondContact O-NE2 3.27Å; C578-E926 PolarHBondContact N-OE2 2.85Å
579	T	98.5	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.			trans	42	67.4	-179.8	-39.7	0	0	0	0	112.5	K581 N752 K774 H780 E926 T928	T579-K581 HydrophobicContact CG2-CB 4.38Å; T579-K581 HydrophobicContact CG2-CD 4.38Å; T579-K581 HydrophobicContact CG2-CG 4.25Å; T579-K581 PolarHBondContact O-N 2.77Å; T579-N752 HydrophobicContact CG2-CB 3.92Å; T579-N752 WeakPolarHBondContact CG2-ND2 3.42Å; T579-K774 WeakPolarHBondContact CG2-O 3.32Å; T579-H780 PolarHBondContact O-CE1 3.17Å; T579-H780 VanDerWaalsContact O-CE1 3.32Å; T579-H780 PolarHBondContact O-NE2 3.42Å; T579-E926 VanDerWaalsContact CA-CD 3.49Å; T579-E926 WeakPolarHBondContact CA-OE1 3.42Å; T579-E926 WeakPolarHBondContact CB-OE1 3.14Å; T579-E926 WeakPolarHBondContact CG2-OE1 3.47Å; T579-E926 VanDerWaalsContact N-CD 3.3Å; T579-E926 PolarHBondContact N-OE1 3.03Å; T579-E926 PolarHBondContact N-OE2 3.15Å; T579-E926 PolarHBondContact OG1-OE1 2.9Å; T579-T928 HydrophobicContact CG2-CG2 3.72Å
580	M	98.6	Very high	98.5	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	12%	0.119	C	C	.	.			trans	-75	52.4	179.9	-58.6	-60	-48.1	0	0	112.2	T179 Y181 L568 I573 L575 C578 H780	T179-M580 WeakPolarHBondContact O-CE 3.47Å; Y181-M580 HydrophobicContact CD1-SD 4.49Å; Y181-M580 HydrophobicContact CG-SD 4.42Å; L568-M580 HydrophobicContact CD1-CE 4.39Å; L568-M580 HydrophobicContact CD2-CB 4.32Å; I573-M580 HydrophobicContact CB-CB 4.4Å; I573-M580 HydrophobicContact CB-CG 4.24Å; I573-M580 HydrophobicContact CG2-CE 4.44Å; I573-M580 HydrophobicContact CG2-CG 4.03Å; I573-M580 WeakPolarHBondContact O-CB 3.34Å; I573-M580 WeakPolarHBondContact O-CG 3.12Å; L575-M580 HydrophobicContact CB-CG 4.14Å; L575-M580 HydrophobicContact CD1-CG 4.45Å; L575-M580 HydrophobicContact CD1-SD 4.29Å; C578-M580 HydrophobicContact CB-CG 4.26Å; C578-M580 HydrophobicContact CB-SD 4.03Å; C578-M580 PolarHBondContact O-N 2.82Å; M580-H780 HydrophobicContact CE-CB 4.09Å; M580-H780 PolarHBondContact SD-CD2 2.95Å; M580-H780 PolarHBondContact SD-NE2 3.15Å; M580-H780 VanDerWaalsContact SD-NE2 3.4Å
581	K	98.8	Very high	98.5	Very high	1 Å²	1	18 Å²	18	0%	0.004	11%	0.105	C	C	.	.			trans	-77.7	173.8	-179.6	64.8	169.2	64.2	-166.9	0	112	T579 N583 N752 K774 T775 C777 Y837 T928 E929	T579-K581 HydrophobicContact CG2-CB 4.38Å; T579-K581 HydrophobicContact CG2-CD 4.38Å; T579-K581 HydrophobicContact CG2-CG 4.25Å; T579-K581 PolarHBondContact O-N 2.77Å; K581-N583 PolarHBondContact O-N 3.08Å; K581-N752 WeakPolarHBondContact CE-OD1 3.23Å; K581-N752 PolarHBondContact NZ-OD1 3.22Å; K581-K774 WeakPolarHBondContact CD-O 3.34Å; K581-K774 WeakPolarHBondContact CE-O 3.44Å; K581-T775 WeakPolarHBondContact CE-O 3.44Å; K581-T775 PolarHBondContact NZ-O 3.16Å; K581-C777 WeakPolarHBondContact CD-SG 3.35Å; K581-Y837 PolarHBondContact NZ-OH 3.32Å; K581-T928 HydrophobicContact CB-CG2 4.13Å; K581-E929 WeakPolarHBondContact CE-OE1 3.46Å; K581-E929 IonicContact NZ-OE1 2.69Å; K581-E929 PolarHBondContact NZ-OE1 3.19Å; K581-E929 IonicContact NZ-OE2 3.79Å
582	L	98.8	Very high	98.5	Very high	60 Å²	60	18.7 Å²	18.7	31%	0.314	11%	0.108	S	C	.	.			trans	-51.8	133.1	172.4	179.5	64.7	0	0	0	112.2	F83 S930	F83-L582 HydrophobicContact CZ-CD2 4.45Å; L582-S930 PolarHBondContact N-OG 2.7Å; L582-S930 VanDerWaalsContact N-OG 3.15Å
583	N	98.6	Very high	98.5	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.064	12%	0.117	C	C	.	.			trans	-106.7	101.4	160.2	-42.3	121.7	0	0	0	106.5	K581 L588 C777 P779	K581-N583 PolarHBondContact O-N 3.08Å; N583-L588 HydrophobicContact CB-CD1 4.15Å; N583-L588 HydrophobicContact CB-CD2 4.49Å; N583-C777 PolarHBondContact ND2-O 3.46Å; N583-P779 HydrophobicContact CB-CB 4.34Å
584	S	98.8	Very high	98.4	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.035	14%	0.143	C	C	.	.			trans	-79.6	149.2	-166.2	80.1	0	0	0	0	113	F83 S586 E587 L588	F83-S584 WeakPolarHBondContact CZ-OG 3.35Å; S584-S586 PolarHBondContact O-N 2.83Å; S584-E587 WeakPolarHBondContact CB-OE1 2.97Å; S584-E587 PolarHBondContact N-OE2 3.45Å; S584-E587 WeakPolarHBondContact O-CB 3.38Å; S584-E587 PolarHBondContact O-N 3.5Å; S584-E587 VanDerWaalsContact OG-CG 3.25Å; S584-E587 WeakPolarHBondContact OG-CG 3.29Å; S584-E587 PolarHBondContact OG-N 2.71Å; S584-E587 PolarHBondContact OG-OE1 3.03Å; S584-E587 PolarHBondContact OG-OE2 2.76Å; S584-L588 VanDerWaalsContact O-CG 3.31Å; S584-L588 WeakPolarHBondContact O-CG 3.35Å; S584-L588 PolarHBondContact O-N 3.03Å
585	S	98.8	Very high	98.4	Very high	90 Å²	90	30 Å²	30	63%	0.629	15%	0.153	S	C	*	.	H	α-helix	trans	-53.7	-40.6	176.3	-55.8	0	0	0	0	112	E587 L588 M589	S585-E587 VanDerWaalsContact C-N 3.32Å; S585-E587 PolarHBondContact O-N 3.18Å; S585-L588 PolarHBondContact O-N 3.13Å; S585-M589 WeakPolarHBondContact O-CB 3.38Å; S585-M589 VanDerWaalsContact O-CG 3.22Å; S585-M589 WeakPolarHBondContact O-CG 3.3Å; S585-M589 PolarHBondContact O-N 2.71Å
586	S	98.8	Very high	98.5	Very high	16 Å²	16	29.8 Å²	29.8	11%	0.112	15%	0.152	C	C	.	.	H	α-helix	trans	-69.2	-27.6	-179.6	-56.4	0	0	0	0	113	E133 L137 S584	E133-S586 WeakPolarHBondContact CG-OG 3.22Å; E133-S586 WeakPolarHBondContact OE1-CB 3.49Å; E133-S586 PolarHBondContact OE1-OG 2.93Å; L137-S586 WeakPolarHBondContact CD2-O 3.42Å; S584-S586 PolarHBondContact O-N 2.83Å
587	E	98.9	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-77.3	-36.2	169.8	-75.1	146.8	-142.8	0	0	113	F83 S584 S585 P590 C777 I833 A836 M840	F83-E587 WeakPolarHBondContact CE1-OE1 3.11Å; F83-E587 WeakPolarHBondContact CZ-OE1 3.47Å; S584-E587 WeakPolarHBondContact CB-OE1 2.97Å; S584-E587 PolarHBondContact N-OE2 3.45Å; S584-E587 WeakPolarHBondContact O-CB 3.38Å; S584-E587 PolarHBondContact O-N 3.5Å; S584-E587 VanDerWaalsContact OG-CG 3.25Å; S584-E587 WeakPolarHBondContact OG-CG 3.29Å; S584-E587 PolarHBondContact OG-N 2.71Å; S584-E587 PolarHBondContact OG-OE1 3.03Å; S584-E587 PolarHBondContact OG-OE2 2.76Å; S585-E587 VanDerWaalsContact C-N 3.32Å; S585-E587 PolarHBondContact O-N 3.18Å; E587-P590 VanDerWaalsContact O-CD 3.32Å; E587-P590 WeakPolarHBondContact O-CD 3.4Å; E587-C777 WeakPolarHBondContact OE2-CB 3.48Å; E587-I833 HydrophobicContact CB-CB 4.36Å; E587-I833 HydrophobicContact CB-CG1 4.41Å; E587-I833 HydrophobicContact CB-CG2 4.01Å; E587-I833 HydrophobicContact CG-CG2 4.47Å; E587-I833 WeakPolarHBondContact O-CG1 3.48Å; E587-A836 HydrophobicContact CB-CB 4.43Å; E587-A836 HydrophobicContact CG-CB 3.92Å; E587-M840 HydrophobicContact CG-CE 3.9Å
588	L	98.7	Very high	98.6	Very high	33 Å²	33	32.1 Å²	32.1	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-81.4	-39.7	-172.9	-68.6	172.8	0	0	0	113.1	V178 N583 S584 S585 P590 I591 P779 I833	V178-L588 HydrophobicContact CG2-CD1 4.45Å; N583-L588 HydrophobicContact CB-CD1 4.15Å; N583-L588 HydrophobicContact CB-CD2 4.49Å; S584-L588 VanDerWaalsContact O-CG 3.31Å; S584-L588 WeakPolarHBondContact O-CG 3.35Å; S584-L588 PolarHBondContact O-N 3.03Å; S585-L588 PolarHBondContact O-N 3.13Å; L588-P590 VanDerWaalsContact C-N 3.28Å; L588-P590 WeakPolarHBondContact O-CD 3.27Å; L588-P590 VanDerWaalsContact O-N 3.08Å; L588-I591 WeakPolarHBondContact O-CG1 3.31Å; L588-I591 PolarHBondContact O-N 3.2Å; L588-P779 HydrophobicContact CD2-CB 4.32Å; L588-P779 HydrophobicContact CD2-CG 3.7Å; L588-I833 HydrophobicContact CD2-CD1 3.96Å; L588-I833 HydrophobicContact CD2-CG1 4.26Å
589	M	98.7	Very high	98.7	Very high	97 Å²	97	31.7 Å²	31.7	48%	0.478	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-47.4	-36.3	-177.7	-80.7	171.4	70.5	0	0	115.9	L137 S585 I591 W593	L137-M589 HydrophobicContact CD1-CE 3.75Å; L137-M589 HydrophobicContact CD1-SD 4.06Å; S585-M589 WeakPolarHBondContact O-CB 3.38Å; S585-M589 VanDerWaalsContact O-CG 3.22Å; S585-M589 WeakPolarHBondContact O-CG 3.3Å; S585-M589 PolarHBondContact O-N 2.71Å; M589-I591 VanDerWaalsContact C-N 3.32Å; M589-I591 PolarHBondContact O-N 3.29Å; M589-W593 PolarHBondContact O-NE1 3.06Å
590	P	98.7	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-68.3	-20.6	179.5	-21.6	34.5	0	0	0	115.8	L137 L140 E587 L588 T592 W593 F596 P832	L137-P590 HydrophobicContact CD2-CG 4.04Å; L140-P590 HydrophobicContact CD2-CB 3.55Å; L140-P590 HydrophobicContact CD2-CG 3.35Å; E587-P590 VanDerWaalsContact O-CD 3.32Å; E587-P590 WeakPolarHBondContact O-CD 3.4Å; L588-P590 VanDerWaalsContact C-N 3.28Å; L588-P590 WeakPolarHBondContact O-CD 3.27Å; L588-P590 VanDerWaalsContact O-N 3.08Å; P590-T592 PolarHBondContact O-N 3.38Å; P590-W593 HydrophobicContact CB-CD2 4.04Å; P590-W593 HydrophobicContact CB-CE3 4.06Å; P590-W593 HydrophobicContact CB-CH2 4.31Å; P590-W593 HydrophobicContact CB-CZ2 4.3Å; P590-W593 HydrophobicContact CB-CZ3 4.2Å; P590-W593 HydrophobicContact CG-CH2 4.15Å; P590-W593 HydrophobicContact CG-CZ2 4.09Å; P590-W593 HydrophobicContact CG-CZ3 4.49Å; P590-W593 WeakPolarHBondContact O-CB 3.43Å; P590-W593 PolarHBondContact O-N 3.47Å; P590-W593 VanDerWaalsContact O-N 3.11Å; P590-F596 HydrophobicContact CB-CD2 4.34Å; P590-F596 HydrophobicContact CB-CE2 4.26Å; P590-F596 WeakPolarHBondContact O-CD2 3.47Å; P590-P832 HydrophobicContact CB-CB 4.06Å
591	I	98.4	Very high	98.7	Very high	18 Å²	18	31.6 Å²	31.6	9%	0.092	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-69.6	-20.5	-172.2	78.2	-170.1	0	0	0	113	L172 L588 M589 A829 I830 I833	L172-I591 HydrophobicContact CD1-CD1 4.2Å; L588-I591 WeakPolarHBondContact O-CG1 3.31Å; L588-I591 PolarHBondContact O-N 3.2Å; M589-I591 VanDerWaalsContact C-N 3.32Å; M589-I591 PolarHBondContact O-N 3.29Å; I591-A829 WeakPolarHBondContact CG2-O 3.4Å; I591-I830 HydrophobicContact CG2-CG2 4.32Å; I591-I833 HydrophobicContact CG2-CD1 3.65Å; I591-I833 HydrophobicContact CG2-CG1 3.86Å
592	T	98.5	Very high	98.7	Very high	30 Å²	30	32.3 Å²	32.3	18%	0.184	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-101.3	3	175.3	58.1	0	0	0	0	113.5	Q168 L172 E173 P590 R594	Q168-T592 HydrophobicContact CG-CG2 4.13Å; L172-T592 HydrophobicContact CD2-CG2 3.57Å; L172-T592 HydrophobicContact CG-CG2 4.24Å; E173-T592 HydrophobicContact CG-CG2 4.08Å; E173-T592 WeakPolarHBondContact OE1-CB 3.4Å; E173-T592 WeakPolarHBondContact OE1-CG2 3.44Å; E173-T592 PolarHBondContact OE1-OG1 3.2Å; P590-T592 PolarHBondContact O-N 3.38Å; T592-R594 PolarHBondContact O-N 3.36Å
593	W	98.8	Very high	98.7	Very high	49 Å²	49	29.8 Å²	29.8	19%	0.186	15%	0.15	C	C	.	.			trans	-65.6	132.8	172.6	-66.8	0.4	0	0	0	110.5	L137 L140 Q141 A144 M589 P590 E595 F596 A597	L137-W593 HydrophobicContact CB-CH2 4.15Å; L137-W593 HydrophobicContact CB-CZ2 4.21Å; L137-W593 HydrophobicContact CD2-CH2 4.15Å; L137-W593 HydrophobicContact CD2-CZ2 3.92Å; L137-W593 WeakPolarHBondContact O-CH2 3.46Å; L140-W593 HydrophobicContact CB-CH2 4.28Å; L140-W593 HydrophobicContact CB-CZ3 4.15Å; L140-W593 HydrophobicContact CD2-CH2 4.34Å; L140-W593 HydrophobicContact CD2-CZ3 4.15Å; L140-W593 HydrophobicContact CG-CH2 4.35Å; L140-W593 HydrophobicContact CG-CZ3 3.88Å; Q141-W593 HydrophobicContact CB-CH2 4.25Å; Q141-W593 HydrophobicContact CB-CZ3 4.01Å; Q141-W593 VanDerWaalsContact OE1-CE3 3.29Å; A144-W593 HydrophobicContact CB-CE3 4.04Å; A144-W593 HydrophobicContact CB-CZ3 4.34Å; M589-W593 PolarHBondContact O-NE1 3.06Å; P590-W593 HydrophobicContact CB-CD2 4.04Å; P590-W593 HydrophobicContact CB-CE3 4.06Å; P590-W593 HydrophobicContact CB-CH2 4.31Å; P590-W593 HydrophobicContact CB-CZ2 4.3Å; P590-W593 HydrophobicContact CB-CZ3 4.2Å; P590-W593 HydrophobicContact CG-CH2 4.15Å; P590-W593 HydrophobicContact CG-CZ2 4.09Å; P590-W593 HydrophobicContact CG-CZ3 4.49Å; P590-W593 WeakPolarHBondContact O-CB 3.43Å; P590-W593 PolarHBondContact O-N 3.47Å; P590-W593 VanDerWaalsContact O-N 3.11Å; W593-E595 PolarHBondContact O-N 2.7Å; W593-E595 VanDerWaalsContact O-N 3.12Å; W593-F596 HydrophobicContact CB-CD2 4.36Å; W593-F596 HydrophobicContact CE3-CD2 4.2Å; W593-F596 AromaticContact CE3-CE2 3.96Å; W593-F596 HydrophobicContact CE3-CE2 3.96Å; W593-F596 HydrophobicContact CZ3-CE2 4.37Å; W593-F596 PolarHBondContact O-N 2.81Å; W593-A597 WeakPolarHBondContact O-CB 3.23Å; W593-A597 PolarHBondContact O-N 3.5Å
594	R	98.2	Very high	98.7	Very high	150 Å²	150	32 Å²	32	57%	0.566	17%	0.165	S	C	*	.	H	α-helix	trans	-54	-37.5	-176.3	-178.9	-174.5	168	-178.5	-5.2	112.3	V149 T592 F596 N598	V149-R594 HydrophobicContact CG1-CG 4Å; V149-R594 HydrophobicContact CG2-CG 4.14Å; T592-R594 PolarHBondContact O-N 3.36Å; R594-F596 PolarHBondContact O-N 3.42Å; R594-N598 HydrophobicContact CG-CB 4.1Å; R594-N598 WeakPolarHBondContact O-CB 3.36Å; R594-N598 PolarHBondContact O-N 2.74Å
595	E	98.8	Very high	98.6	Very high	45 Å²	45	34.2 Å²	34.2	21%	0.21	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-19.3	178.8	-66.8	94.1	131.5	0	0	114.2	Q141 A144 N147 V149 W593 I599	Q141-E595 PolarHBondContact NE2-OE1 3.22Å; A144-E595 HydrophobicContact CB-CB 3.85Å; N147-E595 WeakPolarHBondContact CB-O 2.93Å; N147-E595 PolarHBondContact ND2-O 3.22Å; V149-E595 HydrophobicContact CG2-CG 4.44Å; W593-E595 PolarHBondContact O-N 2.7Å; W593-E595 VanDerWaalsContact O-N 3.12Å; E595-I599 VanDerWaalsContact O-CG1 3.29Å; E595-I599 WeakPolarHBondContact O-CG1 3.45Å
596	F	98.8	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-106.6	-47.3	171.3	-67.4	-52.9	0	0	0	111.7	L140 A144 P590 W593 R594 Y611 L614 P832	L140-F596 HydrophobicContact CD1-CE2 4.16Å; L140-F596 HydrophobicContact CD1-CZ 3.86Å; L140-F596 HydrophobicContact CD2-CE2 4.34Å; L140-F596 HydrophobicContact CG-CE2 4.1Å; L140-F596 HydrophobicContact CG-CZ 4.27Å; A144-F596 HydrophobicContact CB-CD2 4.2Å; A144-F596 HydrophobicContact CB-CE1 4.15Å; A144-F596 HydrophobicContact CB-CE2 3.59Å; A144-F596 HydrophobicContact CB-CZ 3.56Å; P590-F596 HydrophobicContact CB-CD2 4.34Å; P590-F596 HydrophobicContact CB-CE2 4.26Å; P590-F596 WeakPolarHBondContact O-CD2 3.47Å; W593-F596 HydrophobicContact CB-CD2 4.36Å; W593-F596 HydrophobicContact CE3-CD2 4.2Å; W593-F596 AromaticContact CE3-CE2 3.96Å; W593-F596 HydrophobicContact CE3-CE2 3.96Å; W593-F596 HydrophobicContact CZ3-CE2 4.37Å; W593-F596 PolarHBondContact O-N 2.81Å; R594-F596 PolarHBondContact O-N 3.42Å; F596-Y611 VanDerWaalsContact C-OH 3.3Å; F596-Y611 WeakPolarHBondContact CA-OH 3.41Å; F596-Y611 WeakPolarHBondContact CB-OH 3.33Å; F596-Y611 HydrophobicContact CD1-CD1 4.22Å; F596-Y611 HydrophobicContact CD1-CD2 4.4Å; F596-Y611 AromaticContact CD1-CE1 3.73Å; F596-Y611 HydrophobicContact CD1-CE1 3.73Å; F596-Y611 AromaticContact CD1-CE2 3.92Å; F596-Y611 HydrophobicContact CD1-CE2 3.92Å; F596-Y611 AromaticContact CD1-CZ 3.59Å; F596-Y611 HydrophobicContact CE1-CD1 4.45Å; F596-Y611 HydrophobicContact CE1-CE1 4.33Å; F596-Y611 PolarHBondContact O-OH 2.99Å; F596-L614 HydrophobicContact CE1-CD2 4.36Å; F596-P832 HydrophobicContact CD1-CG 4.48Å; F596-P832 HydrophobicContact CD2-CG 4.11Å; F596-P832 HydrophobicContact CE1-CG 4.42Å; F596-P832 HydrophobicContact CE2-CB 4.42Å; F596-P832 HydrophobicContact CE2-CG 4.03Å; F596-P832 HydrophobicContact CG-CG 4.34Å; F596-P832 HydrophobicContact CZ-CG 4.19Å
597	A	98.5	Very high	98.5	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-31.4	-173.7	0	0	0	0	0	114.4	P343 L344 C345 W593	P343-A597 HydrophobicContact CB-CB 3.96Å; P343-A597 VanDerWaalsContact CB-O 3.27Å; P343-A597 WeakPolarHBondContact CB-O 3.23Å; P343-A597 HydrophobicContact CG-CB 4.41Å; L344-A597 PolarHBondContact N-O 3.1Å; L344-A597 VanDerWaalsContact N-O 3.12Å; C345-A597 PolarHBondContact N-O 2.69Å; W593-A597 WeakPolarHBondContact O-CB 3.23Å; W593-A597 PolarHBondContact O-N 3.5Å
598	N	98.6	Very high	98.5	Very high	52 Å²	52	32.9 Å²	32.9	28%	0.278	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	26.2	-170	-63.5	10.9	0	0	0	113.5	V149 R594	V149-N598 HydrophobicContact CG1-CB 3.93Å; R594-N598 HydrophobicContact CG-CB 4.1Å; R594-N598 WeakPolarHBondContact O-CB 3.36Å; R594-N598 PolarHBondContact O-N 2.74Å
599	I	98.9	Very high	98.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.174	C	C	.	.			trans	-97.6	130.2	170.6	-46.6	-61.2	0	0	0	109.4	N147 V149 L344 Y346 E595 V603 Y611	N147-I599 HydrophobicContact CB-CD1 3.97Å; N147-I599 HydrophobicContact CB-CG1 4.26Å; V149-I599 HydrophobicContact CB-CD1 4.21Å; V149-I599 HydrophobicContact CG1-CD1 4.46Å; V149-I599 HydrophobicContact CG2-CD1 3.72Å; L344-I599 WeakPolarHBondContact CB-O 3.28Å; Y346-I599 VanDerWaalsContact CA-O 3.22Å; Y346-I599 WeakPolarHBondContact CA-O 3.34Å; Y346-I599 HydrophobicContact CD2-CB 4.13Å; Y346-I599 HydrophobicContact CD2-CG2 3.59Å; Y346-I599 HydrophobicContact CE2-CG2 4.09Å; Y346-I599 HydrophobicContact CG-CG2 4.36Å; Y346-I599 PolarHBondContact N-O 3.4Å; E595-I599 VanDerWaalsContact O-CG1 3.29Å; E595-I599 WeakPolarHBondContact O-CG1 3.45Å; I599-V603 HydrophobicContact CG2-CG1 4.26Å; I599-V603 HydrophobicContact CG2-CG2 3.61Å; I599-Y611 HydrophobicContact CB-CE2 4.3Å; I599-Y611 HydrophobicContact CG1-CE2 4.11Å
600	H	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.			trans	-74.2	136.4	174.2	-177.8	-74.2	0	0	0	110.5	I154 G155 Y158 L344 Y346 F602 V603	I154-H600 WeakPolarHBondContact CG2-CE1 3.27Å; G155-H600 WeakPolarHBondContact CA-NE2 3.47Å; G155-H600 PolarHBondContact N-NE2 3.22Å; G155-H600 PolarHBondContact O-CE1 3.47Å; G155-H600 PolarHBondContact O-NE2 2.87Å; Y158-H600 VanDerWaalsContact CB-NE2 3.33Å; Y158-H600 WeakPolarHBondContact CB-NE2 3.46Å; Y158-H600 PolarHBondContact O-CD2 2.92Å; Y158-H600 PolarHBondContact O-NE2 3.39Å; L344-H600 HydrophobicContact CD1-CB 4.19Å; Y346-H600 VanDerWaalsContact CD2-O 3.32Å; Y346-H600 WeakPolarHBondContact CD2-O 3.41Å; H600-F602 WeakPolarHBondContact CE1-CB 3.12Å; H600-F602 AromaticContact CE1-CD2 2.72Å; H600-F602 WeakPolarHBondContact CE1-CD2 3.04Å; H600-F602 AromaticContact CE1-CE2 3.64Å; H600-F602 AromaticContact CE1-CG 3.21Å; H600-F602 WeakPolarHBondContact CE1-CG 3.33Å; H600-F602 PolarHBondContact ND1-N 3.35Å; H600-F602 PolarHBondContact O-N 2.84Å; H600-V603 HydrophobicContact CB-CG1 3.96Å; H600-V603 WeakPolarHBondContact O-CG1 3.44Å; H600-V603 PolarHBondContact O-N 3.18Å
601	P	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24	-173.7	18.1	-30.7	0	0	0	115.4	Y158 Y346	Y158-P601 HydrophobicContact CD1-CG 3.81Å; Y158-P601 HydrophobicContact CD2-CG 3.46Å; Y158-P601 VanDerWaalsContact CD2-CG 3.46Å; Y158-P601 HydrophobicContact CE1-CG 3.99Å; Y158-P601 HydrophobicContact CE2-CG 3.67Å; Y158-P601 HydrophobicContact CG-CG 3.53Å; Y346-P601 WeakPolarHBondContact CE2-O 3.4Å
602	F	98.8	Very high	98.5	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.075	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	22.4	-174.5	-46.6	-35.3	0	0	0	113	I154 M156 Y158 Q248 H600 H803 V805 V806	I154-F602 HydrophobicContact CG2-CB 4.46Å; M156-F602 HydrophobicContact CB-CD2 3.96Å; M156-F602 HydrophobicContact CB-CE2 3.82Å; M156-F602 HydrophobicContact CE-CD2 3.99Å; M156-F602 HydrophobicContact CE-CE2 4.11Å; M156-F602 HydrophobicContact SD-CD2 3.95Å; Y158-F602 HydrophobicContact CD2-CE2 4.04Å; Y158-F602 HydrophobicContact CD2-CZ 4.23Å; Y158-F602 HydrophobicContact CE2-CE2 4.07Å; Y158-F602 AromaticContact CE2-CZ 3.81Å; Y158-F602 HydrophobicContact CE2-CZ 3.81Å; Q248-F602 HydrophobicContact CG-CZ 4.33Å; H600-F602 WeakPolarHBondContact CE1-CB 3.12Å; H600-F602 AromaticContact CE1-CD2 2.72Å; H600-F602 WeakPolarHBondContact CE1-CD2 3.04Å; H600-F602 AromaticContact CE1-CE2 3.64Å; H600-F602 AromaticContact CE1-CG 3.21Å; H600-F602 WeakPolarHBondContact CE1-CG 3.33Å; H600-F602 PolarHBondContact ND1-N 3.35Å; H600-F602 PolarHBondContact O-N 2.84Å; F602-H803 AromaticContact CD1-CE1 3.44Å; F602-H803 VanDerWaalsContact CD1-CE1 3.44Å; F602-H803 WeakPolarHBondContact CD1-CE1 3.2Å; F602-H803 AromaticContact CE1-CE1 2.69Å; F602-H803 WeakPolarHBondContact CE1-CE1 3.32Å; F602-H803 AromaticContact CE1-NE2 3.9Å; F602-H803 AromaticContact CE2-CE1 3.97Å; F602-H803 AromaticContact CZ-CE1 3.04Å; F602-H803 WeakPolarHBondContact CZ-CE1 3.36Å; F602-V805 HydrophobicContact CB-CG1 3.83Å; F602-V805 HydrophobicContact CD1-CB 4.08Å; F602-V805 HydrophobicContact CD1-CG1 3.99Å; F602-V805 HydrophobicContact CD2-CG1 3.97Å; F602-V805 HydrophobicContact CE1-CB 4.33Å; F602-V805 HydrophobicContact CE1-CG2 4.49Å; F602-V805 HydrophobicContact CE2-CG2 4.4Å; F602-V805 HydrophobicContact CG-CB 4.23Å; F602-V805 HydrophobicContact CG-CG1 3.65Å; F602-V805 HydrophobicContact CZ-CG2 4.38Å; F602-V806 HydrophobicContact CD1-CG2 3.91Å
603	V	98.8	Very high	98.5	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	16%	0.159	C	C	.	.	S	Bend	trans	-61.7	152.7	168.7	-64.3	0	0	0	0	112	Y346 N479 I599 H600 L605 Q607 A608	Y346-V603 HydrophobicContact CE2-CG2 3.97Å; N479-V603 WeakPolarHBondContact ND2-CG1 2.69Å; I599-V603 HydrophobicContact CG2-CG1 4.26Å; I599-V603 HydrophobicContact CG2-CG2 3.61Å; H600-V603 HydrophobicContact CB-CG1 3.96Å; H600-V603 WeakPolarHBondContact O-CG1 3.44Å; H600-V603 PolarHBondContact O-N 3.18Å; V603-L605 PolarHBondContact O-N 3.08Å; V603-Q607 HydrophobicContact CB-CB 4.21Å; V603-Q607 HydrophobicContact CG2-CB 4.02Å; V603-A608 HydrophobicContact CG2-CB 4.32Å
604	P	98.1	Very high	98.5	Very high	59 Å²	59	31.2 Å²	31.2	38%	0.383	15%	0.15	S	C	.	.			trans	-47.8	136.2	164.3	-29.5	36.9	0	0	0	112.5	D606 Q607	P604-D606 VanDerWaalsContact CB-OD1 3.28Å; P604-D606 WeakPolarHBondContact CB-OD1 3.22Å; P604-D606 PolarHBondContact O-N 2.81Å; P604-D606 VanDerWaalsContact O-N 3.13Å; P604-Q607 HydrophobicContact CB-CG 4.38Å; P604-Q607 VanDerWaalsContact O-CB 3.29Å; P604-Q607 WeakPolarHBondContact O-CB 2.9Å; P604-Q607 PolarHBondContact O-N 2.94Å
605	L	97.1	Very high	98.6	Very high	52 Å²	52	24.5 Å²	24.5	27%	0.272	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-65.9	-19.4	-169.4	-66.7	178.8	0	0	0	114.4	V603 Q607 A608 V806 W825	V603-L605 PolarHBondContact O-N 3.08Å; L605-Q607 PolarHBondContact O-N 2.86Å; L605-A608 CarbonylContact O-C 3.42Å; L605-A608 PolarHBondContact O-N 2.89Å; L605-A608 VanDerWaalsContact O-N 3.1Å; L605-V806 HydrophobicContact CD2-CG1 3.93Å; L605-W825 HydrophobicContact CD2-CH2 3.97Å; L605-W825 HydrophobicContact CD2-CZ3 4.36Å
606	D	97.7	Very high	98.6	Very high	74 Å²	74	29 Å²	29	40%	0.396	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-70.1	-14.4	172	76.8	-70.9	0	0	0	112.8	K148 P604	K148-D606 WeakPolarHBondContact CE-O 3.26Å; K148-D606 PolarHBondContact NZ-O 3.46Å; K148-D606 IonicContact NZ-OD2 3.73Å; K148-D606 PolarHBondContact NZ-OD2 3.43Å; P604-D606 VanDerWaalsContact CB-OD1 3.28Å; P604-D606 WeakPolarHBondContact CB-OD1 3.22Å; P604-D606 PolarHBondContact O-N 2.81Å; P604-D606 VanDerWaalsContact O-N 3.13Å
607	Q	98.7	Very high	98.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-89.2	-7.4	172	-53.7	179.5	19.7	0	0	112.3	N147 K148 W150 N479 V603 P604 L605	N147-Q607 CarbonylContact C-O 3.58Å; N147-Q607 VanDerWaalsContact CA-O 3.23Å; N147-Q607 WeakPolarHBondContact CA-O 3.45Å; K148-Q607 HydrophobicContact CB-CB 3.99Å; K148-Q607 HydrophobicContact CB-CG 4.22Å; K148-Q607 HydrophobicContact CD-CB 4.47Å; K148-Q607 HydrophobicContact CD-CG 4.18Å; K148-Q607 PolarHBondContact N-O 3.17Å; W150-Q607 VanDerWaalsContact CE3-NE2 3.3Å; N479-Q607 PolarHBondContact ND2-OE1 3.36Å; N479-Q607 PolarHBondContact OD1-NE2 3.19Å; N479-Q607 PolarHBondContact OD1-OE1 3.32Å; V603-Q607 HydrophobicContact CB-CB 4.21Å; V603-Q607 HydrophobicContact CG2-CB 4.02Å; P604-Q607 HydrophobicContact CB-CG 4.38Å; P604-Q607 VanDerWaalsContact O-CB 3.29Å; P604-Q607 WeakPolarHBondContact O-CB 2.9Å; P604-Q607 PolarHBondContact O-N 2.94Å; L605-Q607 PolarHBondContact O-N 2.86Å
608	A	98.5	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-121.6	22.5	-176.4	0	0	0	0	0	113	N147 Y346 V603 L605 G610 Y611 Q612	N147-A608 WeakPolarHBondContact OD1-CA 3.31Å; N147-A608 PolarHBondContact OD1-O 3.46Å; Y346-A608 HydrophobicContact CE1-CB 4.31Å; Y346-A608 HydrophobicContact CE2-CB 4.04Å; Y346-A608 WeakPolarHBondContact OH-CB 3.47Å; V603-A608 HydrophobicContact CG2-CB 4.32Å; L605-A608 CarbonylContact O-C 3.42Å; L605-A608 PolarHBondContact O-N 2.89Å; L605-A608 VanDerWaalsContact O-N 3.1Å; A608-G610 PolarHBondContact O-N 3.29Å; A608-G610 VanDerWaalsContact O-N 3.16Å; A608-Y611 WeakPolarHBondContact O-CB 3.04Å; A608-Y611 PolarHBondContact O-N 3.39Å; A608-Y611 VanDerWaalsContact O-N 3.12Å; A608-Q612 WeakPolarHBondContact O-CG 3.44Å; A608-Q612 PolarHBondContact O-N 2.98Å
609	E	98.6	Very high	98.6	Very high	93 Å²	93	30.2 Å²	30.2	44%	0.435	14%	0.143	S	C	.	.	H	α-helix	trans	-56.2	-32.3	-177.9	-81.5	-167.6	-154.5	0	0	114.1	K146 Q612 K613	K146-E609 HydrophobicContact CB-CB 4.05Å; K146-E609 IonicContact NZ-OE2 2.76Å; E609-Q612 PolarHBondContact O-N 3.21Å; E609-K613 PolarHBondContact O-N 2.91Å
610	G	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-51.5	175.3	0	0	0	0	0	111.3	I143 N147 A608 Q612 K613 L614	I143-G610 WeakPolarHBondContact CG2-O 3.5Å; I143-G610 WeakPolarHBondContact O-CA 3.37Å; N147-G610 WeakPolarHBondContact OD1-CA 3.33Å; N147-G610 PolarHBondContact OD1-N 3.36Å; A608-G610 PolarHBondContact O-N 3.29Å; A608-G610 VanDerWaalsContact O-N 3.16Å; G610-Q612 VanDerWaalsContact C-N 3.32Å; G610-Q612 PolarHBondContact O-N 3.26Å; G610-K613 PolarHBondContact O-N 2.93Å; G610-K613 VanDerWaalsContact O-N 3.12Å; G610-L614 PolarHBondContact O-N 3.28Å
611	Y	98.8	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56	-45.4	171.4	-89.4	-62.6	0	0	0	111.9	N147 Y346 F596 I599 A608 K613 L614 F615 A829	N147-Y611 WeakPolarHBondContact ND2-CD2 3.3Å; N147-Y611 PolarHBondContact OD1-N 3.1Å; Y346-Y611 VanDerWaalsContact CB-CZ 3.49Å; Y346-Y611 AromaticContact CD1-CD1 3.92Å; Y346-Y611 HydrophobicContact CD1-CD1 3.92Å; Y346-Y611 AromaticContact CD1-CD2 3.46Å; Y346-Y611 HydrophobicContact CD1-CD2 3.46Å; Y346-Y611 VanDerWaalsContact CD1-CD2 3.46Å; Y346-Y611 HydrophobicContact CD1-CE1 4.17Å; Y346-Y611 AromaticContact CD1-CE2 3.75Å; Y346-Y611 HydrophobicContact CD1-CE2 3.75Å; Y346-Y611 AromaticContact CD1-CG 3.54Å; Y346-Y611 HydrophobicContact CD1-CG 3.54Å; Y346-Y611 HydrophobicContact CD2-CD2 4.45Å; Y346-Y611 HydrophobicContact CE1-CD2 4.02Å; Y346-Y611 AromaticContact CE1-CG 3.93Å; Y346-Y611 HydrophobicContact CE1-CG 3.93Å; Y346-Y611 AromaticContact CG-CD2 3.71Å; Y346-Y611 HydrophobicContact CG-CD2 3.71Å; Y346-Y611 AromaticContact CG-CE2 3.64Å; Y346-Y611 HydrophobicContact CG-CE2 3.64Å; Y346-Y611 HydrophobicContact CG-CG 4.27Å; F596-Y611 VanDerWaalsContact C-OH 3.3Å; F596-Y611 WeakPolarHBondContact CA-OH 3.41Å; F596-Y611 WeakPolarHBondContact CB-OH 3.33Å; F596-Y611 HydrophobicContact CD1-CD1 4.22Å; F596-Y611 HydrophobicContact CD1-CD2 4.4Å; F596-Y611 AromaticContact CD1-CE1 3.73Å; F596-Y611 HydrophobicContact CD1-CE1 3.73Å; F596-Y611 AromaticContact CD1-CE2 3.92Å; F596-Y611 HydrophobicContact CD1-CE2 3.92Å; F596-Y611 AromaticContact CD1-CZ 3.59Å; F596-Y611 HydrophobicContact CE1-CD1 4.45Å; F596-Y611 HydrophobicContact CE1-CE1 4.33Å; F596-Y611 PolarHBondContact O-OH 2.99Å; I599-Y611 HydrophobicContact CB-CE2 4.3Å; I599-Y611 HydrophobicContact CG1-CE2 4.11Å; A608-Y611 WeakPolarHBondContact O-CB 3.04Å; A608-Y611 PolarHBondContact O-N 3.39Å; A608-Y611 VanDerWaalsContact O-N 3.12Å; Y611-K613 VanDerWaalsContact C-N 3.29Å; Y611-K613 PolarHBondContact O-N 3.29Å; Y611-L614 HydrophobicContact CD1-CD2 4.18Å; Y611-L614 HydrophobicContact CE1-CD2 4.46Å; Y611-L614 WeakPolarHBondContact O-CB 3.48Å; Y611-L614 PolarHBondContact O-N 3.45Å; Y611-L614 VanDerWaalsContact O-N 3.12Å; Y611-F615 AromaticContact CD1-CE1 3.71Å; Y611-F615 HydrophobicContact CD1-CE1 3.71Å; Y611-F615 AromaticContact CD1-CZ 3.67Å; Y611-F615 HydrophobicContact CD1-CZ 3.67Å; Y611-F615 HydrophobicContact CE1-CE1 4.48Å; Y611-F615 HydrophobicContact CG-CE1 4.48Å; Y611-F615 HydrophobicContact CG-CZ 4.07Å; Y611-F615 WeakPolarHBondContact O-CD1 3.21Å; Y611-F615 VanDerWaalsContact O-CD2 3.29Å; Y611-F615 WeakPolarHBondContact O-CD2 3.3Å; Y611-F615 WeakPolarHBondContact O-CG 3.19Å; Y611-F615 PolarHBondContact O-N 3.39Å; Y611-A829 WeakPolarHBondContact OH-CA 3.25Å
612	Q	98.5	Very high	98.6	Very high	31 Å²	31	34.6 Å²	34.6	15%	0.145	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-32.1	177.6	-66.7	-60.5	-38.4	0	0	112.9	A608 E609 G610 R616 W825	A608-Q612 WeakPolarHBondContact O-CG 3.44Å; A608-Q612 PolarHBondContact O-N 2.98Å; E609-Q612 PolarHBondContact O-N 3.21Å; G610-Q612 VanDerWaalsContact C-N 3.32Å; G610-Q612 PolarHBondContact O-N 3.26Å; Q612-R616 WeakPolarHBondContact O-CG 3.42Å; Q612-R616 PolarHBondContact O-N 2.98Å; Q612-R616 PolarHBondContact O-NE 3.09Å; Q612-R616 PolarHBondContact O-NH1 3.47Å; Q612-R616 PolarHBondContact O-NH2 3.09Å; Q612-W825 VanDerWaalsContact NE2-CZ2 3.28Å
613	K	98.6	Very high	98.6	Very high	68 Å²	68	34.6 Å²	34.6	30%	0.296	16%	0.164	S	C	.	.	H	α-helix	trans	-72.2	-43.8	170.6	177.2	-179.6	168.2	-166.2	0	111.7	I143 E609 G610 Y611 R616 Q617	I143-K613 HydrophobicContact CD1-CD 4.42Å; I143-K613 HydrophobicContact CG1-CD 3.96Å; I143-K613 HydrophobicContact CG2-CB 4.17Å; I143-K613 HydrophobicContact CG2-CD 4.26Å; I143-K613 HydrophobicContact CG2-CG 4.3Å; E609-K613 PolarHBondContact O-N 2.91Å; G610-K613 PolarHBondContact O-N 2.93Å; G610-K613 VanDerWaalsContact O-N 3.12Å; Y611-K613 VanDerWaalsContact C-N 3.29Å; Y611-K613 PolarHBondContact O-N 3.29Å; K613-R616 PolarHBondContact O-N 2.99Å; K613-Q617 PolarHBondContact O-N 3.49Å
614	L	98.9	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.2	-52.5	176.8	-176.9	76.4	0	0	0	110.8	L140 I143 F596 G610 Y611 R616 Q617 L618 L831 P832 W835	L140-L614 HydrophobicContact CD1-CD1 4.06Å; I143-L614 HydrophobicContact CG2-CB 4.34Å; F596-L614 HydrophobicContact CE1-CD2 4.36Å; G610-L614 PolarHBondContact O-N 3.28Å; Y611-L614 HydrophobicContact CD1-CD2 4.18Å; Y611-L614 HydrophobicContact CE1-CD2 4.46Å; Y611-L614 WeakPolarHBondContact O-CB 3.48Å; Y611-L614 PolarHBondContact O-N 3.45Å; Y611-L614 VanDerWaalsContact O-N 3.12Å; L614-R616 PolarHBondContact O-N 1.85Å; L614-Q617 PolarHBondContact O-N 3.26Å; L614-L618 WeakPolarHBondContact O-CB 3.34Å; L614-L618 PolarHBondContact O-N 3.27Å; L614-L831 HydrophobicContact CD2-CB 4.28Å; L614-P832 HydrophobicContact CD2-CG 3.86Å; L614-W835 HydrophobicContact CD1-CB 3.77Å; L614-W835 HydrophobicContact CD1-CD2 4.06Å; L614-W835 HydrophobicContact CD1-CG 3.54Å
615	F	98.8	Very high	98.6	Very high	8 Å²	8	33 Å²	33	4%	0.035	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-44.7	-179.8	-55.9	-27	0	0	0	112	Y346 Y611 Q617 E619 F633 W825 L831	Y346-F615 HydrophobicContact CD1-CZ 4.02Å; Y346-F615 AromaticContact CE1-CE2 3.96Å; Y346-F615 HydrophobicContact CE1-CE2 3.96Å; Y346-F615 AromaticContact CE1-CZ 3.88Å; Y346-F615 HydrophobicContact CE1-CZ 3.88Å; Y611-F615 AromaticContact CD1-CE1 3.71Å; Y611-F615 HydrophobicContact CD1-CE1 3.71Å; Y611-F615 AromaticContact CD1-CZ 3.67Å; Y611-F615 HydrophobicContact CD1-CZ 3.67Å; Y611-F615 HydrophobicContact CE1-CE1 4.48Å; Y611-F615 HydrophobicContact CG-CE1 4.48Å; Y611-F615 HydrophobicContact CG-CZ 4.07Å; Y611-F615 WeakPolarHBondContact O-CD1 3.21Å; Y611-F615 VanDerWaalsContact O-CD2 3.29Å; Y611-F615 WeakPolarHBondContact O-CD2 3.3Å; Y611-F615 WeakPolarHBondContact O-CG 3.19Å; Y611-F615 PolarHBondContact O-N 3.39Å; F615-Q617 PolarHBondContact O-N 2.74Å; F615-E619 WeakPolarHBondContact O-CB 3.27Å; F615-E619 PolarHBondContact O-N 3.45Å; F615-F633 HydrophobicContact CB-CD2 4.44Å; F615-F633 HydrophobicContact CB-CE2 4.25Å; F615-W825 AromaticContact CD2-CD1 3.81Å; F615-W825 AromaticContact CD2-CD2 3.95Å; F615-W825 HydrophobicContact CD2-CD2 3.95Å; F615-W825 AromaticContact CD2-CE2 3.87Å; F615-W825 AromaticContact CD2-CG 3.96Å; F615-W825 HydrophobicContact CD2-CG 3.96Å; F615-W825 AromaticContact CD2-NE1 3.73Å; F615-W825 HydrophobicContact CE1-CB 4.28Å; F615-W825 HydrophobicContact CE1-CG 4.4Å; F615-W825 HydrophobicContact CE2-CB 4.08Å; F615-W825 AromaticContact CE2-CD1 3.82Å; F615-W825 AromaticContact CE2-CD2 3.32Å; F615-W825 HydrophobicContact CE2-CD2 3.32Å; F615-W825 AromaticContact CE2-CE2 3.69Å; F615-W825 AromaticContact CE2-CE3 3.68Å; F615-W825 HydrophobicContact CE2-CE3 3.68Å; F615-W825 AromaticContact CE2-CG 3.48Å; F615-W825 HydrophobicContact CE2-CG 3.48Å; F615-W825 VanDerWaalsContact CE2-CG 3.48Å; F615-W825 HydrophobicContact CE2-CZ2 4.39Å; F615-W825 HydrophobicContact CE2-CZ3 4.37Å; F615-W825 AromaticContact CE2-NE1 3.92Å; F615-W825 HydrophobicContact CZ-CB 3.79Å; F615-W825 AromaticContact CZ-CD2 3.93Å; F615-W825 HydrophobicContact CZ-CD2 3.93Å; F615-W825 HydrophobicContact CZ-CE3 4.2Å; F615-W825 AromaticContact CZ-CG 3.72Å; F615-W825 HydrophobicContact CZ-CG 3.72Å; F615-L831 HydrophobicContact CD1-CD1 4.03Å; F615-L831 HydrophobicContact CE1-CD1 3.82Å
616	R	98.6	Very high	98.7	Very high	139 Å²	139	30.5 Å²	30.5	53%	0.525	14%	0.138	S	C	.	.	H	α-helix	trans	-65.9	-34.4	178.7	-76.2	-175.6	-66.7	-98.5	-1	113.4	Q612 K613 L614 K620	Q612-R616 WeakPolarHBondContact O-CG 3.42Å; Q612-R616 PolarHBondContact O-N 2.98Å; Q612-R616 PolarHBondContact O-NE 3.09Å; Q612-R616 PolarHBondContact O-NH1 3.47Å; Q612-R616 PolarHBondContact O-NH2 3.09Å; K613-R616 PolarHBondContact O-N 2.99Å; L614-R616 PolarHBondContact O-N 1.85Å; R616-K620 WeakPolarHBondContact O-CB 3.47Å; R616-K620 PolarHBondContact O-N 3.01Å
617	Q	98.8	Very high	98.7	Very high	48 Å²	48	27.3 Å²	27.3	22%	0.224	12%	0.123	C	C	.	.	H	α-helix	trans	-71.7	-51.9	175.4	-71.8	-174.6	-63	0	0	110.6	I143 K613 L614 F615 E619 K620 D621	I143-Q617 VanDerWaalsContact CD1-OE1 3.24Å; K613-Q617 PolarHBondContact O-N 3.49Å; L614-Q617 PolarHBondContact O-N 3.26Å; F615-Q617 PolarHBondContact O-N 2.74Å; Q617-E619 VanDerWaalsContact C-N 3.29Å; Q617-E619 PolarHBondContact O-N 2.75Å; Q617-K620 WeakPolarHBondContact O-CB 3.42Å; Q617-K620 PolarHBondContact O-N 3.48Å; Q617-K620 VanDerWaalsContact O-N 3.17Å; Q617-D621 VanDerWaalsContact O-CG 3.22Å; Q617-D621 PolarHBondContact O-N 3.04Å
618	L	98.9	Very high	98.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-36.5	179.2	-173.1	60.3	0	0	0	112	L614 L622 F633 L831 I838	L614-L618 WeakPolarHBondContact O-CB 3.34Å; L614-L618 PolarHBondContact O-N 3.27Å; L618-L622 HydrophobicContact CD1-CD1 4.05Å; L618-L622 HydrophobicContact CD1-CG 4.02Å; L618-L622 HydrophobicContact CG-CD1 3.91Å; L618-L622 HydrophobicContact CG-CG 4.28Å; L618-L622 VanDerWaalsContact O-CB 3.31Å; L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 WeakPolarHBondContact O-CG 3Å; L618-L622 PolarHBondContact O-N 3.03Å; L618-F633 HydrophobicContact CB-CE1 4.43Å; L618-F633 HydrophobicContact CB-CZ 3.9Å; L618-F633 HydrophobicContact CD2-CD1 4.47Å; L618-F633 HydrophobicContact CD2-CE1 3.57Å; L618-F633 HydrophobicContact CD2-CZ 3.9Å; L618-F633 HydrophobicContact CG-CE1 3.79Å; L618-F633 HydrophobicContact CG-CZ 3.74Å; L618-L831 HydrophobicContact CD2-CB 4.05Å; L618-L831 HydrophobicContact CD2-CD2 4.11Å; L618-I838 HydrophobicContact CD1-CD1 3.78Å
619	E	98.8	Very high	98.7	Very high	33 Å²	33	32 Å²	32	15%	0.154	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-54	171.8	166.3	164.1	-123.3	0	0	111.8	F615 Q617 D621 L622 C623 K630 I631 F633	F615-E619 WeakPolarHBondContact O-CB 3.27Å; F615-E619 PolarHBondContact O-N 3.45Å; Q617-E619 VanDerWaalsContact C-N 3.29Å; Q617-E619 PolarHBondContact O-N 2.75Å; E619-D621 VanDerWaalsContact C-N 3.26Å; E619-D621 PolarHBondContact O-N 3.04Å; E619-L622 PolarHBondContact O-N 2.77Å; E619-C623 VanDerWaalsContact O-CB 3.32Å; E619-C623 WeakPolarHBondContact O-CB 3.31Å; E619-C623 PolarHBondContact O-N 2.95Å; E619-C623 PolarHBondContact O-SG 2.87Å; E619-K630 WeakPolarHBondContact OE1-CD 3.35Å; E619-K630 WeakPolarHBondContact OE1-CE 3.45Å; E619-K630 IonicContact OE1-NZ 3.34Å; E619-K630 PolarHBondContact OE1-NZ 3.12Å; E619-K630 IonicContact OE2-NZ 3.93Å; E619-K630 PolarHBondContact OE2-NZ 2.91Å; E619-I631 HydrophobicContact CB-CB 4.18Å; E619-I631 HydrophobicContact CB-CG1 4.47Å; E619-I631 HydrophobicContact CG-CB 3.93Å; E619-I631 HydrophobicContact CG-CG1 4.15Å; E619-I631 PolarHBondContact OE1-N 2.89Å; E619-F633 HydrophobicContact CB-CE2 4.1Å; E619-F633 HydrophobicContact CB-CZ 4.34Å
620	K	98.8	Very high	98.7	Very high	93 Å²	93	29.8 Å²	29.8	40%	0.404	14%	0.137	S	C	.	.	H	α-helix	trans	-53.9	-46.6	178.8	174	-149.3	164.6	-159.6	0	110.8	D128 R616 Q617 E624	D128-K620 IonicContact OD1-NZ 3.93Å; D128-K620 PolarHBondContact OD1-NZ 2.76Å; D128-K620 IonicContact OD2-NZ 3.76Å; D128-K620 PolarHBondContact OD2-NZ 2.96Å; R616-K620 WeakPolarHBondContact O-CB 3.47Å; R616-K620 PolarHBondContact O-N 3.01Å; Q617-K620 WeakPolarHBondContact O-CB 3.42Å; Q617-K620 PolarHBondContact O-N 3.48Å; Q617-K620 VanDerWaalsContact O-N 3.17Å; K620-E624 PolarHBondContact O-N 3.23Å
621	D	98.9	Very high	98.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-49.4	-177.6	-59.1	-43.1	0	0	0	111	M127 Q617 E619 C623 E624 L625 I838 K839	M127-D621 HydrophobicContact CE-CB 4.49Å; Q617-D621 VanDerWaalsContact O-CG 3.22Å; Q617-D621 PolarHBondContact O-N 3.04Å; E619-D621 VanDerWaalsContact C-N 3.26Å; E619-D621 PolarHBondContact O-N 3.04Å; D621-C623 PolarHBondContact O-N 2.65Å; D621-E624 PolarHBondContact O-N 3.16Å; D621-E624 VanDerWaalsContact O-N 3.07Å; D621-L625 WeakPolarHBondContact O-CG 3.39Å; D621-L625 PolarHBondContact O-N 2.89Å; D621-I838 HydrophobicContact CB-CG2 3.74Å; D621-K839 IonicContact OD1-NZ 3.28Å; D621-K839 PolarHBondContact OD1-NZ 2.92Å; D621-K839 WeakPolarHBondContact OD2-CE 3.39Å; D621-K839 IonicContact OD2-NZ 3.61Å; D621-K839 PolarHBondContact OD2-NZ 3.44Å
622	L	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-36.4	178.9	-68.2	177.9	0	0	0	112.9	L618 E619 E624 L625 T626 I631 F633 L770 L772 F776 P789 I838	L618-L622 HydrophobicContact CD1-CD1 4.05Å; L618-L622 HydrophobicContact CD1-CG 4.02Å; L618-L622 HydrophobicContact CG-CD1 3.91Å; L618-L622 HydrophobicContact CG-CG 4.28Å; L618-L622 VanDerWaalsContact O-CB 3.31Å; L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 WeakPolarHBondContact O-CG 3Å; L618-L622 PolarHBondContact O-N 3.03Å; E619-L622 PolarHBondContact O-N 2.77Å; L622-E624 VanDerWaalsContact C-N 3.34Å; L622-E624 PolarHBondContact O-N 2.76Å; L622-L625 HydrophobicContact CD2-CD1 4.4Å; L622-L625 PolarHBondContact O-N 3.41Å; L622-T626 WeakPolarHBondContact O-CB 3.27Å; L622-T626 WeakPolarHBondContact O-CG2 3.41Å; L622-T626 PolarHBondContact O-N 2.89Å; L622-T626 VanDerWaalsContact O-N 3.09Å; L622-T626 PolarHBondContact O-OG1 2.84Å; L622-I631 HydrophobicContact CB-CD1 3.73Å; L622-I631 HydrophobicContact CB-CG1 4.12Å; L622-I631 HydrophobicContact CD1-CD1 4.46Å; L622-F633 HydrophobicContact CD1-CE1 3.9Å; L622-F633 HydrophobicContact CD1-CZ 4.3Å; L622-L770 HydrophobicContact CB-CD1 4.37Å; L622-L770 HydrophobicContact CD1-CD1 4.3Å; L622-L770 HydrophobicContact CD2-CD1 3.86Å; L622-L770 HydrophobicContact CG-CD1 4.4Å; L622-L772 HydrophobicContact CD1-CD2 4.32Å; L622-F776 HydrophobicContact CD2-CE1 4.26Å; L622-F776 HydrophobicContact CD2-CE2 4.3Å; L622-F776 HydrophobicContact CD2-CZ 4.09Å; L622-P789 HydrophobicContact CD1-CG 4.46Å; L622-I838 HydrophobicContact CD2-CD1 3.77Å; L622-I838 HydrophobicContact CG-CD1 4.45Å
623	C	98.9	Very high	98.7	Very high	18 Å²	18	29.4 Å²	29.4	12%	0.122	14%	0.135	C	C	.	.	H	α-helix	trans	-57	-45.9	169.6	-82.9	0	0	0	0	111.6	E619 D621 T626 G627 Y628	E619-C623 VanDerWaalsContact O-CB 3.32Å; E619-C623 WeakPolarHBondContact O-CB 3.31Å; E619-C623 PolarHBondContact O-N 2.95Å; E619-C623 PolarHBondContact O-SG 2.87Å; D621-C623 PolarHBondContact O-N 2.65Å; C623-T626 PolarHBondContact O-N 3.05Å; C623-T626 PolarHBondContact O-OG1 3.45Å; C623-G627 WeakPolarHBondContact O-CA 3.4Å; C623-G627 PolarHBondContact O-N 2.89Å; C623-Y628 VanDerWaalsContact CB-O 3.26Å; C623-Y628 WeakPolarHBondContact CB-O 3.34Å; C623-Y628 PolarHBondContact O-N 3.06Å; C623-Y628 PolarHBondContact SG-O 2.91Å; C623-Y628 VanDerWaalsContact SG-O 3.37Å
624	E	98.8	Very high	98.7	Very high	30 Å²	30	26.1 Å²	26.1	14%	0.14	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-33.2	178.3	172.1	56.6	-175.9	0	0	113	R123 L125 K126 K620 D621 L622 T626 R759	R123-E624 IonicContact CZ-OE1 2.75Å; R123-E624 VanDerWaalsContact CZ-OE1 3.23Å; R123-E624 IonicContact CZ-OE2 3.63Å; R123-E624 IonicContact NH1-OE1 3.21Å; R123-E624 PolarHBondContact NH1-OE1 2.78Å; R123-E624 IonicContact NH1-OE2 2.74Å; R123-E624 VanDerWaalsContact NH2-CD 3.31Å; R123-E624 IonicContact NH2-OE1 3.73Å; R123-E624 PolarHBondContact NH2-OE1 3.43Å; R123-E624 IonicContact NH2-OE2 3.35Å; R123-E624 PolarHBondContact NH2-OE2 2.82Å; L125-E624 WeakPolarHBondContact CA-OE1 3.24Å; L125-E624 HydrophobicContact CB-CG 4.46Å; L125-E624 HydrophobicContact CD2-CG 4.45Å; K126-E624 HydrophobicContact CB-CG 4.48Å; K126-E624 PolarHBondContact N-OE1 2.77Å; K620-E624 PolarHBondContact O-N 3.23Å; D621-E624 PolarHBondContact O-N 3.16Å; D621-E624 VanDerWaalsContact O-N 3.07Å; L622-E624 VanDerWaalsContact C-N 3.34Å; L622-E624 PolarHBondContact O-N 2.76Å; E624-T626 VanDerWaalsContact C-N 3.29Å; E624-T626 PolarHBondContact O-N 3.34Å; E624-R759 WeakPolarHBondContact O-CD 3.39Å; E624-R759 PolarHBondContact O-NH1 2.88Å; E624-R759 IonicContact OE2-NH1 3.84Å; E624-R759 PolarHBondContact OE2-NH1 2.78Å
625	L	98.8	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.9	-25.9	173.6	-61.3	-167.8	0	0	0	113.2	L125 M127 D621 L622 V755 F776 I838 L846	L125-L625 HydrophobicContact CD1-CD2 3.54Å; L125-L625 HydrophobicContact CD2-CD2 4.24Å; L125-L625 HydrophobicContact CG-CD2 4.43Å; M127-L625 HydrophobicContact CE-CD2 4.32Å; M127-L625 HydrophobicContact SD-CD2 3.89Å; D621-L625 WeakPolarHBondContact O-CG 3.39Å; D621-L625 PolarHBondContact O-N 2.89Å; L622-L625 HydrophobicContact CD2-CD1 4.4Å; L622-L625 PolarHBondContact O-N 3.41Å; L625-V755 HydrophobicContact CD1-CG1 4.17Å; L625-V755 HydrophobicContact CD2-CG1 4.19Å; L625-F776 HydrophobicContact CD1-CE1 3.54Å; L625-F776 HydrophobicContact CD1-CZ 3.98Å; L625-I838 HydrophobicContact CD1-CD1 4.25Å; L625-L846 HydrophobicContact CD1-CD1 4.1Å; L625-L846 HydrophobicContact CD2-CD1 4.07Å
626	T	98.8	Very high	98.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-111.4	-19	-171.2	54.5	0	0	0	0	115.3	L622 C623 E624 Y628 M751 R759 P760 G761 L770	L622-T626 WeakPolarHBondContact O-CB 3.27Å; L622-T626 WeakPolarHBondContact O-CG2 3.41Å; L622-T626 PolarHBondContact O-N 2.89Å; L622-T626 VanDerWaalsContact O-N 3.09Å; L622-T626 PolarHBondContact O-OG1 2.84Å; C623-T626 PolarHBondContact O-N 3.05Å; C623-T626 PolarHBondContact O-OG1 3.45Å; E624-T626 VanDerWaalsContact C-N 3.29Å; E624-T626 PolarHBondContact O-N 3.34Å; T626-Y628 VanDerWaalsContact C-N 3.34Å; T626-Y628 VanDerWaalsContact CB-CD2 3.41Å; T626-Y628 HydrophobicContact CG2-CD2 4.2Å; T626-Y628 HydrophobicContact CG2-CE2 4.49Å; T626-Y628 VanDerWaalsContact OG1-CD2 3.26Å; T626-Y628 WeakPolarHBondContact OG1-CD2 3.26Å; T626-Y628 PolarHBondContact OG1-N 3.35Å; T626-M751 HydrophobicContact CG2-CE 4.16Å; T626-R759 CarbonylContact O-C 3.59Å; T626-P760 WeakPolarHBondContact O-CD 3.17Å; T626-G761 PolarHBondContact O-N 2.86Å; T626-L770 HydrophobicContact CG2-CD1 3.93Å; T626-L770 HydrophobicContact CG2-CD2 3.9Å; T626-L770 HydrophobicContact CG2-CG 4.41Å
627	G	98.5	Very high	98.7	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	18.2	-172.3	0	0	0	0	0	114	C623 K793	C623-G627 WeakPolarHBondContact O-CA 3.4Å; C623-G627 PolarHBondContact O-N 2.89Å; G627-K793 PolarHBondContact O-NZ 3.42Å
628	Y	98.8	Very high	98.6	Very high	8 Å²	8	17.2 Å²	17.2	3%	0.031	9%	0.087	C	C	.	.			trans	-93.5	161.7	174.8	-70	-52.9	0	0	0	113.1	C623 T626 P760 S765 S768 G791 V792 K793	C623-Y628 VanDerWaalsContact CB-O 3.26Å; C623-Y628 WeakPolarHBondContact CB-O 3.34Å; C623-Y628 PolarHBondContact O-N 3.06Å; C623-Y628 PolarHBondContact SG-O 2.91Å; C623-Y628 VanDerWaalsContact SG-O 3.37Å; T626-Y628 VanDerWaalsContact C-N 3.34Å; T626-Y628 VanDerWaalsContact CB-CD2 3.41Å; T626-Y628 HydrophobicContact CG2-CD2 4.2Å; T626-Y628 HydrophobicContact CG2-CE2 4.49Å; T626-Y628 VanDerWaalsContact OG1-CD2 3.26Å; T626-Y628 WeakPolarHBondContact OG1-CD2 3.26Å; T626-Y628 PolarHBondContact OG1-N 3.35Å; Y628-P760 HydrophobicContact CE2-CB 4.13Å; Y628-P760 WeakPolarHBondContact OH-CB 3.48Å; Y628-S765 WeakPolarHBondContact CE1-O 3.49Å; Y628-S765 VanDerWaalsContact OH-CB 3.28Å; Y628-S765 WeakPolarHBondContact OH-CB 3.48Å; Y628-S765 PolarHBondContact OH-OG 2.95Å; Y628-S768 PolarHBondContact OH-N 3.34Å; Y628-S768 PolarHBondContact OH-OG 3.31Å; Y628-G791 VanDerWaalsContact CD2-C 3.49Å; Y628-G791 VanDerWaalsContact CG-C 3.48Å; Y628-V792 WeakPolarHBondContact CB-O 3.44Å; Y628-K793 HydrophobicContact CD1-CD 4.13Å; Y628-K793 HydrophobicContact CD1-CG 4.1Å; Y628-K793 HydrophobicContact CE1-CG 4.26Å
629	D	98.5	Very high	98.6	Very high	94 Å²	94	17.4 Å²	17.4	50%	0.503	9%	0.088	S	C	.	.	S	Bend	trans	-97.9	-21.8	-173.2	-56.6	-67.5	0	0	0	113	V792 K793 A794	D629-V792 PolarHBondContact N-O 2.6Å; D629-K793 VanDerWaalsContact OD2-CA 3.3Å; D629-K793 WeakPolarHBondContact OD2-CA 3.43Å; D629-K793 WeakPolarHBondContact OD2-CD 3.5Å; D629-A794 HydrophobicContact CB-CB 4.05Å; D629-A794 PolarHBondContact OD2-N 2.82Å
630	K	98	Very high	98.6	Very high	47 Å²	47	15.9 Å²	15.9	20%	0.204	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.9	-178	-168.5	69.3	-166.1	151.7	0	111.8	E619 G791 V792 A797 L800 S810	E619-K630 WeakPolarHBondContact OE1-CD 3.35Å; E619-K630 WeakPolarHBondContact OE1-CE 3.45Å; E619-K630 IonicContact OE1-NZ 3.34Å; E619-K630 PolarHBondContact OE1-NZ 3.12Å; E619-K630 IonicContact OE2-NZ 3.93Å; E619-K630 PolarHBondContact OE2-NZ 2.91Å; K630-G791 WeakPolarHBondContact O-CA 3.28Å; K630-V792 HydrophobicContact CB-CG2 4.01Å; K630-V792 PolarHBondContact N-O 3.2Å; K630-V792 PolarHBondContact O-N 3.32Å; K630-A797 HydrophobicContact CB-CB 3.96Å; K630-A797 HydrophobicContact CG-CB 4.24Å; K630-L800 HydrophobicContact CB-CD1 4.25Å; K630-L800 HydrophobicContact CG-CD1 3.53Å; K630-S810 VanDerWaalsContact CE-OG 3.24Å; K630-S810 WeakPolarHBondContact CE-OG 3.42Å; K630-S810 PolarHBondContact NZ-OG 3.05Å
631	I	98.5	Very high	98.6	Very high	8 Å²	8	11.5 Å²	11.5	4%	0.041	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142	174.1	-64.6	-83.4	0	0	0	110.3	E619 L622 F633 P789 I790	E619-I631 HydrophobicContact CB-CB 4.18Å; E619-I631 HydrophobicContact CB-CG1 4.47Å; E619-I631 HydrophobicContact CG-CB 3.93Å; E619-I631 HydrophobicContact CG-CG1 4.15Å; E619-I631 PolarHBondContact OE1-N 2.89Å; L622-I631 HydrophobicContact CB-CD1 3.73Å; L622-I631 HydrophobicContact CB-CG1 4.12Å; L622-I631 HydrophobicContact CD1-CD1 4.46Å; I631-F633 HydrophobicContact CG2-CD1 4.16Å; I631-F633 HydrophobicContact CG2-CD2 4.1Å; I631-F633 HydrophobicContact CG2-CE1 3.83Å; I631-F633 HydrophobicContact CG2-CE2 3.79Å; I631-F633 HydrophobicContact CG2-CG 4.27Å; I631-F633 HydrophobicContact CG2-CZ 3.63Å; I631-P789 HydrophobicContact CG2-CB 4.07Å; I631-I790 CarbonylContact C-O 3.6Å; I631-I790 VanDerWaalsContact CA-O 3.29Å; I631-I790 WeakPolarHBondContact CA-O 3.46Å
632	S	98.4	Very high	98.6	Very high	7 Å²	7	11.6 Å²	11.6	5%	0.049	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.1	160.3	-177.8	0	0	0	0	111	Q634 P789 I790	S632-Q634 PolarHBondContact OG-N 2.75Å; S632-P789 CarbonylContact O-C 3.08Å; S632-P789 WeakPolarHBondContact O-CA 3.38Å; S632-P789 WeakPolarHBondContact O-CB 3.45Å; S632-I790 PolarHBondContact N-O 2.7Å; S632-I790 PolarHBondContact O-N 3.3Å
633	F	98.7	Very high	98.6	Very high	7 Å²	7	11.7 Å²	11.7	3%	0.031	6%	0.063	C	C	.	.			trans	-83.9	-5.2	176.4	-63.4	-75.9	0	0	0	114.1	F615 L618 E619 L622 I631 P635 M787 P789 W825 L831	F615-F633 HydrophobicContact CB-CD2 4.44Å; F615-F633 HydrophobicContact CB-CE2 4.25Å; L618-F633 HydrophobicContact CB-CE1 4.43Å; L618-F633 HydrophobicContact CB-CZ 3.9Å; L618-F633 HydrophobicContact CD2-CD1 4.47Å; L618-F633 HydrophobicContact CD2-CE1 3.57Å; L618-F633 HydrophobicContact CD2-CZ 3.9Å; L618-F633 HydrophobicContact CG-CE1 3.79Å; L618-F633 HydrophobicContact CG-CZ 3.74Å; E619-F633 HydrophobicContact CB-CE2 4.1Å; E619-F633 HydrophobicContact CB-CZ 4.34Å; L622-F633 HydrophobicContact CD1-CE1 3.9Å; L622-F633 HydrophobicContact CD1-CZ 4.3Å; I631-F633 HydrophobicContact CG2-CD1 4.16Å; I631-F633 HydrophobicContact CG2-CD2 4.1Å; I631-F633 HydrophobicContact CG2-CE1 3.83Å; I631-F633 HydrophobicContact CG2-CE2 3.79Å; I631-F633 HydrophobicContact CG2-CG 4.27Å; I631-F633 HydrophobicContact CG2-CZ 3.63Å; F633-P635 VanDerWaalsContact C-CD 3.42Å; F633-M787 HydrophobicContact CB-CE 4.42Å; F633-M787 WeakPolarHBondContact O-CE 3.21Å; F633-P789 HydrophobicContact CD1-CB 3.77Å; F633-P789 HydrophobicContact CD1-CG 4.31Å; F633-P789 HydrophobicContact CE1-CB 4.2Å; F633-W825 HydrophobicContact CB-CB 4.37Å; F633-W825 CarbonylContact O-C 3.25Å; F633-L831 HydrophobicContact CB-CD1 4.15Å; F633-L831 HydrophobicContact CD1-CD1 3.94Å; F633-L831 HydrophobicContact CD1-CD2 3.97Å; F633-L831 HydrophobicContact CE1-CD2 4.42Å; F633-L831 HydrophobicContact CG-CD1 4.05Å
634	Q	98.7	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.			trans	-54.9	-40.7	-175.9	-164.5	174	103.9	0	0	114.5	S632 N636 P801 S802 S821 P824	S632-Q634 PolarHBondContact OG-N 2.75Å; Q634-N636 PolarHBondContact O-N 3.41Å; Q634-P801 HydrophobicContact CB-CB 4.23Å; Q634-P801 HydrophobicContact CG-CB 4.47Å; Q634-P801 VanDerWaalsContact OE1-CB 3.26Å; Q634-S802 PolarHBondContact NE2-O 2.87Å; Q634-S821 VanDerWaalsContact O-CB 3.31Å; Q634-S821 WeakPolarHBondContact O-CB 3.24Å; Q634-S821 PolarHBondContact O-OG 2.87Å; Q634-P824 WeakPolarHBondContact CB-O 3.32Å; Q634-P824 WeakPolarHBondContact CG-O 3.48Å; Q634-P824 PolarHBondContact NE2-O 3.46Å
635	P	98.8	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.			trans	-70.3	116.5	-176.4	-15.8	30.3	0	0	0	113.5	F633 S637 Q640 A644 G788 I790 I820	F633-P635 VanDerWaalsContact C-CD 3.42Å; P635-S637 VanDerWaalsContact C-N 3.35Å; P635-S637 PolarHBondContact O-N 3.02Å; P635-Q640 HydrophobicContact CB-CB 3.9Å; P635-A644 HydrophobicContact CG-CB 3.79Å; P635-G788 CarbonylContact O-C 3.48Å; P635-G788 PolarHBondContact O-N 2.9Å; P635-I790 HydrophobicContact CG-CG1 4.45Å; P635-I820 HydrophobicContact CB-CG2 4.25Å; P635-I820 HydrophobicContact CG-CG2 4.38Å
636	N	98.2	Very high	98.6	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.021	5%	0.05	C	C	.	.			trans	-87.6	15.7	-175.6	51.5	-2.4	0	0	0	115.6	D218 Q634 Q640 G786 M787 S821	D218-N636 PolarHBondContact OD2-ND2 3.26Å; Q634-N636 PolarHBondContact O-N 3.41Å; N636-Q640 PolarHBondContact OD1-NE2 3.07Å; N636-G786 CarbonylContact O-C 3.48Å; N636-M787 HydrophobicContact CB-SD 4.22Å; N636-S821 VanDerWaalsContact CG-OG 3.31Å; N636-S821 PolarHBondContact OD1-OG 3.01Å
637	S	98.6	Very high	98.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	5%	0.05	C	C	.	.	S	Bend	trans	-161.7	164.5	166.4	67.8	0	0	0	0	110.2	L217 P635 A639 Q640 G641 G788	L217-S637 VanDerWaalsContact CD1-OG 3.3Å; L217-S637 WeakPolarHBondContact CD1-OG 3.48Å; P635-S637 VanDerWaalsContact C-N 3.35Å; P635-S637 PolarHBondContact O-N 3.02Å; S637-A639 VanDerWaalsContact C-N 3.34Å; S637-A639 PolarHBondContact O-N 2.82Å; S637-Q640 WeakPolarHBondContact O-CB 3.42Å; S637-Q640 PolarHBondContact O-N 2.75Å; S637-Q640 VanDerWaalsContact O-N 3.15Å; S637-Q640 WeakPolarHBondContact OG-CG 3.34Å; S637-Q640 PolarHBondContact OG-N 2.89Å; S637-G641 PolarHBondContact O-N 2.76Å; S637-G788 WeakPolarHBondContact O-CA 3.38Å
638	G	97.9	Very high	98.5	Very high	3 Å²	3	9 Å²	9	3%	0.031	5%	0.047	C	C	.	.	H	α-helix	trans	-58.5	-44.6	177.7	0	0	0	0	0	112.9	Q640 G641 E642 H769	G638-Q640 VanDerWaalsContact C-N 3.32Å; G638-Q640 PolarHBondContact O-N 2.92Å; G638-G641 CarbonylContact O-C 3.49Å; G638-G641 VanDerWaalsContact O-CA 3.3Å; G638-G641 WeakPolarHBondContact O-CA 3.43Å; G638-G641 PolarHBondContact O-N 2.66Å; G638-E642 PolarHBondContact O-N 2.7Å; G638-H769 WeakPolarHBondContact CA-CD2 3.34Å; G638-H769 VanDerWaalsContact CA-NE2 3.29Å; G638-H769 WeakPolarHBondContact CA-NE2 3.27Å
639	A	98.3	Very high	98.5	Very high	4 Å²	4	8.6 Å²	8.6	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-34.5	175.1	0	0	0	0	0	113.4	N400 S637 G641 E642 Y643 T673 S677	N400-A639 HydrophobicContact CB-CB 4.29Å; N400-A639 PolarHBondContact ND2-O 3.25Å; N400-A639 WeakPolarHBondContact O-CB 3.22Å; S637-A639 VanDerWaalsContact C-N 3.34Å; S637-A639 PolarHBondContact O-N 2.82Å; A639-G641 VanDerWaalsContact C-N 3.32Å; A639-E642 PolarHBondContact O-N 2.93Å; A639-Y643 WeakPolarHBondContact O-CB 3.14Å; A639-Y643 PolarHBondContact O-N 3.14Å; A639-T673 HydrophobicContact CB-CG2 3.96Å; A639-S677 PolarHBondContact O-OG 3.37Å
640	Q	98.7	Very high	98.5	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-68.2	-32.5	170.2	-78.5	-88.6	92.2	0	0	112	L217 P635 N636 S637 G638 A644 I820 S821	L217-Q640 HydrophobicContact CD1-CG 3.48Å; L217-Q640 VanDerWaalsContact CD1-CG 3.48Å; P635-Q640 HydrophobicContact CB-CB 3.9Å; N636-Q640 PolarHBondContact OD1-NE2 3.07Å; S637-Q640 WeakPolarHBondContact O-CB 3.42Å; S637-Q640 PolarHBondContact O-N 2.75Å; S637-Q640 VanDerWaalsContact O-N 3.15Å; S637-Q640 WeakPolarHBondContact OG-CG 3.34Å; S637-Q640 PolarHBondContact OG-N 2.89Å; G638-Q640 VanDerWaalsContact C-N 3.32Å; G638-Q640 PolarHBondContact O-N 2.92Å; Q640-A644 WeakPolarHBondContact O-CB 3.36Å; Q640-A644 PolarHBondContact O-N 3.43Å; Q640-I820 HydrophobicContact CB-CG2 4.23Å; Q640-I820 VanDerWaalsContact NE2-CG2 3.3Å; Q640-I820 PolarHBondContact NE2-O 2.67Å; Q640-S821 PolarHBondContact NE2-OG 3.29Å
641	G	98.8	Very high	98.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.9	-36.4	172.3	0	0	0	0	0	113.3	S637 G638 A639 G645 G788 I790	S637-G641 PolarHBondContact O-N 2.76Å; G638-G641 CarbonylContact O-C 3.49Å; G638-G641 VanDerWaalsContact O-CA 3.3Å; G638-G641 WeakPolarHBondContact O-CA 3.43Å; G638-G641 PolarHBondContact O-N 2.66Å; A639-G641 VanDerWaalsContact C-N 3.32Å; G641-G645 PolarHBondContact O-N 3.28Å; G641-G788 WeakPolarHBondContact CA-O 3.23Å; G641-I790 WeakPolarHBondContact O-CG2 3.47Å
642	E	98.9	Very high	98.4	Very high	3 Å²	3	5.6 Å²	5.6	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-60.5	-54.9	168.1	-64.1	162.7	-145.4	0	0	111.3	G638 A639 A644 G645 L646 T673 N674 S677 M716 Y745 H769	G638-E642 PolarHBondContact O-N 2.7Å; A639-E642 PolarHBondContact O-N 2.93Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 2.89Å; E642-G645 PolarHBondContact O-N 2.96Å; E642-L646 WeakPolarHBondContact O-CG 3.19Å; E642-L646 PolarHBondContact O-N 3.2Å; E642-T673 VanDerWaalsContact CD-OG1 3.31Å; E642-T673 WeakPolarHBondContact OE1-CB 3.32Å; E642-T673 PolarHBondContact OE1-OG1 2.98Å; E642-T673 VanDerWaalsContact OE2-CB 3.22Å; E642-T673 WeakPolarHBondContact OE2-CB 3.3Å; E642-T673 PolarHBondContact OE2-OG1 3.28Å; E642-N674 VanDerWaalsContact OE2-CA 3.28Å; E642-N674 WeakPolarHBondContact OE2-CA 3.44Å; E642-N674 PolarHBondContact OE2-N 3.31Å; E642-N674 VanDerWaalsContact OE2-N 3.09Å; E642-S677 WeakPolarHBondContact CB-OG 3.48Å; E642-S677 VanDerWaalsContact OE2-CB 3.24Å; E642-S677 WeakPolarHBondContact OE2-CB 3.41Å; E642-S677 PolarHBondContact OE2-OG 3.08Å; E642-M716 HydrophobicContact CB-CE 4.09Å; E642-M716 HydrophobicContact CG-CE 4.12Å; E642-Y745 VanDerWaalsContact CA-OH 3.26Å; E642-Y745 WeakPolarHBondContact CA-OH 3.33Å; E642-Y745 HydrophobicContact CG-CE1 4.17Å; E642-Y745 PolarHBondContact N-OH 3.47Å; E642-H769 IonicContact OE1-CE1 2.66Å
643	Y	98.8	Very high	98.4	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-57.1	-42.7	178.4	169	-115.3	0	0	0	111.8	R256 Y259 A639 A647 M680 A681 I820	R256-Y643 WeakPolarHBondContact CA-OH 3.38Å; Y259-Y643 HydrophobicContact CD2-CE2 4.44Å; A639-Y643 WeakPolarHBondContact O-CB 3.14Å; A639-Y643 PolarHBondContact O-N 3.14Å; Y643-A647 WeakPolarHBondContact O-CB 3.39Å; Y643-A647 PolarHBondContact O-N 2.86Å; Y643-M680 HydrophobicContact CD2-CB 4.17Å; Y643-M680 HydrophobicContact CD2-CG 3.73Å; Y643-M680 HydrophobicContact CD2-SD 4.13Å; Y643-M680 HydrophobicContact CE2-CG 3.93Å; Y643-M680 HydrophobicContact CG-CG 4.33Å; Y643-M680 HydrophobicContact CG-SD 4.11Å; Y643-A681 HydrophobicContact CD2-CB 4.28Å; Y643-I820 HydrophobicContact CD1-CD1 3.71Å; Y643-I820 HydrophobicContact CE1-CD1 3.43Å; Y643-I820 VanDerWaalsContact CE1-CD1 3.43Å
644	A	98.8	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.4	-42.4	176.1	0	0	0	0	0	113.2	P635 Q640 E642 A647 A648 I790 L817 I820	P635-A644 HydrophobicContact CG-CB 3.79Å; Q640-A644 WeakPolarHBondContact O-CB 3.36Å; Q640-A644 PolarHBondContact O-N 3.43Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 2.89Å; A644-A647 PolarHBondContact O-N 2.85Å; A644-A648 WeakPolarHBondContact O-CB 3.21Å; A644-A648 PolarHBondContact O-N 3.04Å; A644-I790 HydrophobicContact CB-CD1 3.91Å; A644-L817 VanDerWaalsContact O-CD2 3.26Å; A644-L817 WeakPolarHBondContact O-CD2 3.35Å; A644-I820 HydrophobicContact CB-CD1 3.88Å; A644-I820 HydrophobicContact CB-CG1 3.82Å; A644-I820 HydrophobicContact CB-CG2 4.32Å
645	G	98.7	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68	-40.1	178.2	0	0	0	0	0	112.9	G641 E642 A648 I649	G641-G645 PolarHBondContact O-N 3.28Å; E642-G645 PolarHBondContact O-N 2.96Å; G645-A648 WeakPolarHBondContact O-CB 3.49Å; G645-A648 PolarHBondContact O-N 3.24Å; G645-I649 WeakPolarHBondContact O-CG1 3.39Å; G645-I649 PolarHBondContact O-N 2.75Å
646	L	98.8	Very high	97.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.1	-36.1	174.5	-63.5	178.7	0	0	0	112.1	E642 I649 K650 A678 A681 M683 A714 M716 Y745	E642-L646 WeakPolarHBondContact O-CG 3.19Å; E642-L646 PolarHBondContact O-N 3.2Å; L646-I649 HydrophobicContact CD2-CD1 4.38Å; L646-I649 PolarHBondContact O-N 3.19Å; L646-K650 WeakPolarHBondContact O-CB 3.43Å; L646-K650 PolarHBondContact O-N 3.38Å; L646-A678 HydrophobicContact CD1-CB 3.88Å; L646-A681 HydrophobicContact CB-CB 3.81Å; L646-A681 HydrophobicContact CD1-CB 4.48Å; L646-M683 HydrophobicContact CB-CE 3.97Å; L646-M683 HydrophobicContact CB-SD 4.28Å; L646-M683 HydrophobicContact CD1-SD 4.46Å; L646-M683 HydrophobicContact CD2-CE 4.31Å; L646-M683 HydrophobicContact CD2-SD 4.11Å; L646-M683 VanDerWaalsContact O-CE 3.32Å; L646-M683 WeakPolarHBondContact O-CE 3.32Å; L646-A714 HydrophobicContact CD2-CB 4.29Å; L646-M716 HydrophobicContact CD1-CE 3.91Å; L646-M716 HydrophobicContact CD1-SD 3.75Å; L646-M716 HydrophobicContact CD2-CE 4.41Å; L646-M716 HydrophobicContact CD2-CG 4.12Å; L646-M716 HydrophobicContact CD2-SD 4.19Å; L646-M716 HydrophobicContact CG-CE 4.31Å; L646-M716 HydrophobicContact CG-SD 4.44Å; L646-Y745 HydrophobicContact CD2-CD2 4.26Å; L646-Y745 HydrophobicContact CD2-CG 4.26Å
647	A	98.4	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-39.1	171.2	0	0	0	0	0	111.8	Y259 Y643 A644 K650 A651 L817	Y259-A647 HydrophobicContact CD2-CB 4.24Å; Y259-A647 HydrophobicContact CE1-CB 4.23Å; Y259-A647 HydrophobicContact CE2-CB 3.79Å; Y643-A647 WeakPolarHBondContact O-CB 3.39Å; Y643-A647 PolarHBondContact O-N 2.86Å; A644-A647 PolarHBondContact O-N 2.85Å; A647-K650 PolarHBondContact O-N 2.72Å; A647-A651 WeakPolarHBondContact O-CB 3.14Å; A647-A651 PolarHBondContact O-N 3.25Å; A647-L817 HydrophobicContact CB-CB 4.25Å; A647-L817 HydrophobicContact CB-CD1 4.29Å; A647-L817 HydrophobicContact CB-CD2 4.07Å; A647-L817 HydrophobicContact CB-CG 4.46Å
648	A	98.1	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-45.1	174.3	0	0	0	0	0	111.7	A644 G645 K650 A651 Y652 L817	A644-A648 WeakPolarHBondContact O-CB 3.21Å; A644-A648 PolarHBondContact O-N 3.04Å; G645-A648 WeakPolarHBondContact O-CB 3.49Å; G645-A648 PolarHBondContact O-N 3.24Å; A648-K650 PolarHBondContact O-N 3.04Å; A648-A651 PolarHBondContact O-N 3.08Å; A648-Y652 WeakPolarHBondContact O-CB 3.49Å; A648-Y652 PolarHBondContact O-N 2.93Å; A648-L817 HydrophobicContact CB-CD2 3.78Å
649	I	98.6	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-47.8	172.9	-73.1	165.1	0	0	0	110.6	G645 L646 Y652 L653 M683 A714 Q743 V767 L796	G645-I649 WeakPolarHBondContact O-CG1 3.39Å; G645-I649 PolarHBondContact O-N 2.75Å; L646-I649 HydrophobicContact CD2-CD1 4.38Å; L646-I649 PolarHBondContact O-N 3.19Å; I649-Y652 WeakPolarHBondContact O-CB 3.39Å; I649-Y652 PolarHBondContact O-N 3.31Å; I649-L653 HydrophobicContact CG2-CD1 3.89Å; I649-L653 HydrophobicContact CG2-CG 4.4Å; I649-L653 WeakPolarHBondContact O-CG 3.27Å; I649-L653 PolarHBondContact O-N 2.76Å; I649-M683 HydrophobicContact CG2-CE 4.34Å; I649-A714 HydrophobicContact CD1-CB 4.33Å; I649-A714 HydrophobicContact CG2-CB 4.44Å; I649-Q743 HydrophobicContact CB-CB 4.44Å; I649-Q743 HydrophobicContact CD1-CB 3.77Å; I649-Q743 HydrophobicContact CG1-CB 3.76Å; I649-Q743 HydrophobicContact CG1-CG 4.21Å; I649-Q743 HydrophobicContact CG2-CB 3.84Å; I649-Q743 HydrophobicContact CG2-CG 3.97Å; I649-V767 HydrophobicContact CD1-CG1 3.66Å; I649-V767 HydrophobicContact CG1-CG1 4.09Å; I649-L796 HydrophobicContact CG1-CD1 4.09Å
650	K	97.7	Very high	97.1	Very high	32 Å²	32	30.8 Å²	30.8	14%	0.139	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-38.8	-178.5	-171.3	160.5	166.6	-176.8	0	112.1	Y259 L646 A647 A648 L653 N654 A681 G682 M683	Y259-K650 HydrophobicContact CD1-CD 3.87Å; Y259-K650 HydrophobicContact CD1-CG 4.26Å; Y259-K650 HydrophobicContact CE1-CB 4.27Å; Y259-K650 HydrophobicContact CE1-CD 4.35Å; Y259-K650 HydrophobicContact CE1-CG 4.24Å; Y259-K650 PolarHBondContact O-NZ 3.41Å; L646-K650 WeakPolarHBondContact O-CB 3.43Å; L646-K650 PolarHBondContact O-N 3.38Å; A647-K650 PolarHBondContact O-N 2.72Å; A648-K650 PolarHBondContact O-N 3.04Å; K650-L653 PolarHBondContact O-N 3.24Å; K650-N654 WeakPolarHBondContact O-CB 3.31Å; K650-N654 PolarHBondContact O-N 2.84Å; K650-N654 PolarHBondContact O-ND2 2.89Å; K650-N654 PolarHBondContact O-OD1 3.26Å; K650-A681 WeakPolarHBondContact CD-O 3.38Å; K650-A681 PolarHBondContact NZ-O 2.95Å; K650-G682 PolarHBondContact NZ-O 2.69Å; K650-M683 HydrophobicContact CB-CE 4.13Å
651	A	97	Very high	97.1	Very high	12 Å²	12	32.4 Å²	32.4	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-41.3	173.1	0	0	0	0	0	112.4	A647 A648 N654 S655 F799 L817	A647-A651 WeakPolarHBondContact O-CB 3.14Å; A647-A651 PolarHBondContact O-N 3.25Å; A648-A651 PolarHBondContact O-N 3.08Å; A651-N654 PolarHBondContact O-N 3.38Å; A651-S655 PolarHBondContact O-N 2.88Å; A651-F799 HydrophobicContact CB-CB 4.16Å; A651-F799 HydrophobicContact CB-CD1 3.88Å; A651-F799 HydrophobicContact CB-CG 4.37Å; A651-L817 HydrophobicContact CB-CB 4.14Å
652	Y	97.6	Very high	97	Very high	42 Å²	42	33.2 Å²	33.2	17%	0.165	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-48.9	173.1	165.8	-110.3	0	0	0	112.4	A648 I649 S655 K656 Q743 H795 L796 F799	A648-Y652 WeakPolarHBondContact O-CB 3.49Å; A648-Y652 PolarHBondContact O-N 2.93Å; I649-Y652 WeakPolarHBondContact O-CB 3.39Å; I649-Y652 PolarHBondContact O-N 3.31Å; Y652-S655 WeakPolarHBondContact O-CB 3.41Å; Y652-S655 PolarHBondContact O-N 2.84Å; Y652-S655 VanDerWaalsContact O-N 3.16Å; Y652-S655 PolarHBondContact O-OG 3.25Å; Y652-K656 HydrophobicContact CD2-CD 4.5Å; Y652-K656 HydrophobicContact CE1-CD 4.13Å; Y652-K656 HydrophobicContact CE2-CD 3.86Å; Y652-K656 PolarHBondContact O-N 2.81Å; Y652-Q743 HydrophobicContact CD1-CG 4.29Å; Y652-Q743 HydrophobicContact CE1-CG 4.26Å; Y652-H795 HydrophobicContact CE2-CB 4.35Å; Y652-H795 AromaticContact CE2-CD2 3.9Å; Y652-H795 AromaticContact CZ-CD2 3.72Å; Y652-L796 HydrophobicContact CD1-CD2 3.8Å; Y652-L796 HydrophobicContact CD2-CD2 4.31Å; Y652-L796 HydrophobicContact CG-CD2 3.62Å; Y652-F799 HydrophobicContact CD2-CD2 4.36Å; Y652-F799 AromaticContact CD2-CE2 3.8Å; Y652-F799 HydrophobicContact CD2-CE2 3.8Å; Y652-F799 HydrophobicContact CD2-CZ 4.31Å; Y652-F799 HydrophobicContact CG-CE2 4.43Å
653	L	97.7	Very high	97	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-42	178.8	-66.9	174.2	0	0	0	111.6	I649 K650 S655 K656 G657 E658 R661 A713	I649-L653 HydrophobicContact CG2-CD1 3.89Å; I649-L653 HydrophobicContact CG2-CG 4.4Å; I649-L653 WeakPolarHBondContact O-CG 3.27Å; I649-L653 PolarHBondContact O-N 2.76Å; K650-L653 PolarHBondContact O-N 3.24Å; L653-S655 VanDerWaalsContact C-N 3.28Å; L653-S655 PolarHBondContact O-N 3.36Å; L653-K656 PolarHBondContact O-N 3Å; L653-K656 VanDerWaalsContact O-N 3.11Å; L653-G657 PolarHBondContact O-N 3.45Å; L653-E658 HydrophobicContact CB-CB 4.46Å; L653-E658 PolarHBondContact O-N 3.19Å; L653-R661 HydrophobicContact CD1-CB 3.97Å; L653-A713 HydrophobicContact CD1-CB 3.78Å
654	N	95.4	Very high	97	Very high	74 Å²	74	33.2 Å²	33.2	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-57.4	-40.4	172.6	-70.4	-3.1	0	0	0	112	K650 A651 K656 G657 D659	K650-N654 WeakPolarHBondContact O-CB 3.31Å; K650-N654 PolarHBondContact O-N 2.84Å; K650-N654 PolarHBondContact O-ND2 2.89Å; K650-N654 PolarHBondContact O-OD1 3.26Å; A651-N654 PolarHBondContact O-N 3.38Å; N654-K656 PolarHBondContact O-N 3.29Å; N654-G657 PolarHBondContact O-N 3.41Å; N654-D659 WeakPolarHBondContact OD1-CA 3.46Å; N654-D659 WeakPolarHBondContact OD1-CB 3.41Å
655	S	95.4	Very high	97	Very high	73 Å²	73	33.2 Å²	33.2	51%	0.51	19%	0.193	S	C	.	.	H	α-helix	trans	-65.6	-19.6	179.6	82.8	0	0	0	0	114.3	A651 Y652 L653 F799	A651-S655 PolarHBondContact O-N 2.88Å; Y652-S655 WeakPolarHBondContact O-CB 3.41Å; Y652-S655 PolarHBondContact O-N 2.84Å; Y652-S655 VanDerWaalsContact O-N 3.16Å; Y652-S655 PolarHBondContact O-OG 3.25Å; L653-S655 VanDerWaalsContact C-N 3.28Å; L653-S655 PolarHBondContact O-N 3.36Å; S655-F799 VanDerWaalsContact OG-CZ 3.24Å; S655-F799 WeakPolarHBondContact OG-CZ 3.43Å
656	K	95.3	Very high	97	Very high	108 Å²	108	33.3 Å²	33.3	47%	0.47	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.9	175.4	-64	176	70.1	-150.7	0	113.1	Y652 L653 N654 E658	Y652-K656 HydrophobicContact CD2-CD 4.5Å; Y652-K656 HydrophobicContact CE1-CD 4.13Å; Y652-K656 HydrophobicContact CE2-CD 3.86Å; Y652-K656 PolarHBondContact O-N 2.81Å; L653-K656 PolarHBondContact O-N 3Å; L653-K656 VanDerWaalsContact O-N 3.11Å; N654-K656 PolarHBondContact O-N 3.29Å; K656-E658 HydrophobicContact CB-CG 4.21Å; K656-E658 WeakPolarHBondContact CE-OE1 3.35Å; K656-E658 IonicContact NZ-OE1 2.65Å; K656-E658 PolarHBondContact NZ-OE1 2.73Å
657	G	95.9	Very high	96.9	Very high	60 Å²	60	33.5 Å²	33.5	62%	0.619	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	24.6	-170.9	0	0	0	0	0	113.7	L653 N654	L653-G657 PolarHBondContact O-N 3.45Å; N654-G657 PolarHBondContact O-N 3.41Å
658	E	96.1	Very high	96.6	Very high	46 Å²	46	38.7 Å²	38.7	22%	0.215	22%	0.217	C	C	.	.			trans	-107.2	35.2	179.5	-60.5	-173.4	-100.6	0	0	111.9	L653 K656 S660 R661	L653-E658 HydrophobicContact CB-CB 4.46Å; L653-E658 PolarHBondContact O-N 3.19Å; K656-E658 HydrophobicContact CB-CG 4.21Å; K656-E658 WeakPolarHBondContact CE-OE1 3.35Å; K656-E658 IonicContact NZ-OE1 2.65Å; K656-E658 PolarHBondContact NZ-OE1 2.73Å; E658-S660 PolarHBondContact O-N 3.44Å; E658-R661 HydrophobicContact CB-CG 4.32Å; E658-R661 VanDerWaalsContact O-CB 3.27Å; E658-R661 WeakPolarHBondContact O-CB 3.27Å; E658-R661 PolarHBondContact O-N 2.99Å; E658-R661 IonicContact OE2-CZ 3.29Å; E658-R661 VanDerWaalsContact OE2-CZ 3.29Å; E658-R661 IonicContact OE2-NE 2.73Å; E658-R661 PolarHBondContact OE2-NE 2.95Å; E658-R661 IonicContact OE2-NH2 2.98Å; E658-R661 PolarHBondContact OE2-NH2 3.1Å
659	D	91.3	Very high	96.3	Very high	114 Å²	114	39.1 Å²	39.1	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22	-175.4	69.8	-57	0	0	0	114.4	N654 R661	N654-D659 WeakPolarHBondContact OD1-CA 3.46Å; N654-D659 WeakPolarHBondContact OD1-CB 3.41Å; D659-R661 PolarHBondContact O-N 2.87Å
660	S	93.9	Very high	96	Very high	77 Å²	77	39.2 Å²	39.2	54%	0.538	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.4	172.2	63.7	0	0	0	0	113.1	E658 S662	E658-S660 PolarHBondContact O-N 3.44Å; S660-S662 PolarHBondContact O-N 3.15Å; S660-S662 VanDerWaalsContact O-N 3.13Å; S660-S662 PolarHBondContact O-OG 2.77Å; S660-S662 VanDerWaalsContact O-OG 3.08Å
661	R	97.9	Very high	95.8	Very high	34 Å²	34	39.1 Å²	39.1	13%	0.128	22%	0.221	C	C	.	.			trans	-66.6	111.5	173.9	-68.4	179.9	-179.6	-84.4	1.5	110	L653 E658 D659 K709 S711 L712 A713 N740 G741	L653-R661 HydrophobicContact CD1-CB 3.97Å; E658-R661 HydrophobicContact CB-CG 4.32Å; E658-R661 VanDerWaalsContact O-CB 3.27Å; E658-R661 WeakPolarHBondContact O-CB 3.27Å; E658-R661 PolarHBondContact O-N 2.99Å; E658-R661 IonicContact OE2-CZ 3.29Å; E658-R661 VanDerWaalsContact OE2-CZ 3.29Å; E658-R661 IonicContact OE2-NE 2.73Å; E658-R661 PolarHBondContact OE2-NE 2.95Å; E658-R661 IonicContact OE2-NH2 2.98Å; E658-R661 PolarHBondContact OE2-NH2 3.1Å; D659-R661 PolarHBondContact O-N 2.87Å; R661-K709 PolarHBondContact NH1-O 3.24Å; R661-K709 VanDerWaalsContact NH1-O 3.16Å; R661-S711 CarbonylContact C-O 3.23Å; R661-S711 WeakPolarHBondContact CA-O 3.29Å; R661-L712 VanDerWaalsContact CD-O 3.24Å; R661-L712 WeakPolarHBondContact CD-O 3.25Å; R661-L712 WeakPolarHBondContact CG-O 3.43Å; R661-L712 PolarHBondContact NH1-O 2.85Å; R661-A713 HydrophobicContact CB-CB 4.06Å; R661-N740 PolarHBondContact NH1-O 3.13Å; R661-G741 PolarHBondContact NH1-O 3.35Å
662	S	96.6	Very high	95.5	Very high	18 Å²	18	38.6 Å²	38.6	13%	0.126	22%	0.217	C	C	.	.			trans	-140.8	-7.2	-172.6	48.1	0	0	0	0	113.9	S660 M683 K684 S711	S660-S662 PolarHBondContact O-N 3.15Å; S660-S662 VanDerWaalsContact O-N 3.13Å; S660-S662 PolarHBondContact O-OG 2.77Å; S660-S662 VanDerWaalsContact O-OG 3.08Å; S662-M683 CarbonylContact O-C 3.6Å; S662-M683 VanDerWaalsContact O-CA 3.27Å; S662-M683 WeakPolarHBondContact O-CA 3.36Å; S662-M683 WeakPolarHBondContact O-CB 3.38Å; S662-K684 PolarHBondContact O-N 3.02Å; S662-K684 PolarHBondContact OG-NZ 2.79Å; S662-S711 PolarHBondContact N-O 2.84Å
663	V	98.6	Very high	95.4	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.8	-179.8	178.2	0	0	0	0	110.7	L665 K684 Q686 H708 S711 A713 A714	V663-L665 HydrophobicContact CG1-CD2 4.02Å; V663-K684 WeakPolarHBondContact CA-O 3.34Å; V663-K684 HydrophobicContact CG2-CB 4.47Å; V663-Q686 HydrophobicContact CG1-CB 3.99Å; V663-H708 HydrophobicContact CB-CB 4.4Å; V663-H708 HydrophobicContact CG1-CB 4.13Å; V663-H708 HydrophobicContact CG2-CB 4.34Å; V663-S711 WeakPolarHBondContact CG2-OG 3.46Å; V663-S711 PolarHBondContact N-O 2.98Å; V663-A713 PolarHBondContact O-N 2.9Å; V663-A714 PolarHBondContact O-N 3.31Å
664	C	98.8	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.4	171.8	-171	0	0	0	0	109.2	A678 M683 K684 Q686 A714	C664-A678 HydrophobicContact CB-CB 4.2Å; C664-M683 HydrophobicContact CB-CB 3.95Å; C664-M683 HydrophobicContact CB-SD 3.88Å; C664-K684 PolarHBondContact N-O 2.8Å; C664-Q686 PolarHBondContact O-N 3.12Å; C664-A714 CarbonylContact C-O 3.42Å; C664-A714 WeakPolarHBondContact CA-O 3.26Å
665	L	98.8	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.8	174.7	-59.3	-176.1	0	0	0	109.5	V663 Q686 V688 L701 L704 V705 L712 A714 M715 M716 I737	V663-L665 HydrophobicContact CG1-CD2 4.02Å; L665-Q686 WeakPolarHBondContact CA-O 3.48Å; L665-Q686 HydrophobicContact CD2-CB 3.92Å; L665-Q686 HydrophobicContact CD2-CG 3.7Å; L665-V688 HydrophobicContact CB-CG2 3.95Å; L665-L701 HydrophobicContact CD1-CD1 3.99Å; L665-L704 HydrophobicContact CD2-CB 4.18Å; L665-V705 HydrophobicContact CD1-CG2 3.59Å; L665-L712 HydrophobicContact CD1-CD1 3.78Å; L665-L712 HydrophobicContact CG-CD1 3.74Å; L665-A714 PolarHBondContact N-O 2.97Å; L665-M715 HydrophobicContact CB-CB 4.18Å; L665-M715 HydrophobicContact CB-CG 3.99Å; L665-M715 CarbonylContact O-C 3.53Å; L665-M715 VanDerWaalsContact O-CA 3.3Å; L665-M715 WeakPolarHBondContact O-CA 3.19Å; L665-M716 PolarHBondContact O-N 3.31Å; L665-I737 HydrophobicContact CD1-CD1 3.91Å
666	I	98.5	Very high	95.6	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.7	-176.3	-53.5	-173.4	0	0	0	109.8	A670 N674 P675 A678 V685 Q686 V687 V688 M716	I666-A670 HydrophobicContact CG2-CB 3.78Å; I666-N674 HydrophobicContact CG2-CB 4.39Å; I666-P675 HydrophobicContact CD1-CB 4.02Å; I666-A678 HydrophobicContact CD1-CB 3.86Å; I666-V685 HydrophobicContact CB-CG1 4.47Å; I666-V685 HydrophobicContact CD1-CG1 3.98Å; I666-V685 HydrophobicContact CD1-CG2 3.99Å; I666-V685 HydrophobicContact CG1-CG1 4.34Å; I666-Q686 PolarHBondContact N-O 2.87Å; I666-V687 CarbonylContact O-C 3.59Å; I666-V687 WeakPolarHBondContact O-CA 3.12Å; I666-V688 PolarHBondContact O-N 3.37Å; I666-M716 HydrophobicContact CD1-SD 3.81Å; I666-M716 HydrophobicContact CG1-CB 4.24Å; I666-M716 HydrophobicContact CG1-CG 4.39Å; I666-M716 HydrophobicContact CG1-SD 4.32Å
667	P	97.1	Very high	95.8	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	142.2	172.3	-26.2	36.4	0	0	0	112.5	S669 A670 V688 I696 M715 M716	P667-S669 PolarHBondContact O-N 2.76Å; P667-A670 VanDerWaalsContact O-CB 3.27Å; P667-A670 WeakPolarHBondContact O-CB 3.4Å; P667-A670 PolarHBondContact O-N 2.92Å; P667-V688 CarbonylContact C-O 3.57Å; P667-V688 WeakPolarHBondContact CA-O 3.49Å; P667-I696 HydrophobicContact CB-CG1 4.25Å; P667-I696 HydrophobicContact CG-CD1 3.98Å; P667-I696 HydrophobicContact CG-CG1 3.89Å; P667-M715 HydrophobicContact CG-CE 4.03Å; P667-M716 WeakPolarHBondContact CD-O 3.46Å
668	K	92.7	Very high	95.9	Very high	108 Å²	108	22 Å²	22	47%	0.47	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.5	178.4	-167.3	169.6	-172.5	162	0	113.3	R394 V687 V688 E689 V690	R394-K668 PolarHBondContact NH2-O 3.36Å; K668-V687 HydrophobicContact CB-CG1 4.03Å; K668-V687 HydrophobicContact CG-CG1 4.4Å; K668-V688 PolarHBondContact N-O 2.78Å; K668-E689 WeakPolarHBondContact CD-OE2 3.32Å; K668-E689 WeakPolarHBondContact CE-OE2 3.46Å; K668-E689 IonicContact NZ-OE1 3.61Å; K668-E689 PolarHBondContact NZ-OE1 2.91Å; K668-E689 IonicContact NZ-OE2 2.78Å; K668-E689 PolarHBondContact NZ-OE2 3.27Å; K668-V690 HydrophobicContact CB-CG1 4.5Å
669	S	91	Very high	95.9	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.063	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.8	175.6	49.7	0	0	0	0	114	P667 T722	P667-S669 PolarHBondContact O-N 2.76Å; S669-T722 VanDerWaalsContact C-OG1 3.25Å; S669-T722 WeakPolarHBondContact CB-OG1 3.22Å; S669-T722 PolarHBondContact O-OG1 3.37Å
670	A	92.1	Very high	96.2	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.1	C	C	.	.	S	Bend	trans	-54.4	152.3	-175	0	0	0	0	0	112.2	R394 I666 P667 N674	R394-A670 VanDerWaalsContact CZ-O 3.28Å; R394-A670 PolarHBondContact NH1-O 3.36Å; R394-A670 PolarHBondContact NH2-O 3.04Å; I666-A670 HydrophobicContact CG2-CB 3.78Å; P667-A670 VanDerWaalsContact O-CB 3.27Å; P667-A670 WeakPolarHBondContact O-CB 3.4Å; P667-A670 PolarHBondContact O-N 2.92Å; A670-N674 HydrophobicContact CB-CB 4.4Å
671	H	93.6	Very high	96.4	Very high	30 Å²	30	15.4 Å²	15.4	14%	0.139	8%	0.075	C	C	.	.			trans	-61.1	162.6	-179.3	-178	-112.9	0	0	0	112	Q390 T673 N674 P675 W917	Q390-H671 PolarHBondContact NE2-CE1 2.86Å; Q390-H671 PolarHBondContact NE2-NE2 2.71Å; H671-T673 VanDerWaalsContact CE1-CG2 3.46Å; H671-T673 WeakPolarHBondContact CE1-CG2 3.09Å; H671-T673 WeakPolarHBondContact ND1-CG2 3.18Å; H671-T673 PolarHBondContact ND1-OG1 3.37Å; H671-T673 PolarHBondContact O-N 2.82Å; H671-N674 VanDerWaalsContact CA-OD1 3.31Å; H671-N674 WeakPolarHBondContact CA-OD1 3.46Å; H671-N674 VanDerWaalsContact CB-OD1 3.3Å; H671-N674 WeakPolarHBondContact CB-OD1 3.05Å; H671-N674 PolarHBondContact N-OD1 2.58Å; H671-N674 VanDerWaalsContact N-OD1 3.16Å; H671-N674 PolarHBondContact O-N 2.87Å; H671-N674 PolarHBondContact O-OD1 3.34Å; H671-P675 WeakPolarHBondContact O-CD 3.38Å; H671-W917 HydrophobicContact CB-CH2 4.13Å; H671-W917 HydrophobicContact CB-CZ2 3.66Å; H671-W917 AromaticContact CD2-CE2 3.83Å; H671-W917 AromaticContact CD2-CH2 3.82Å; H671-W917 AromaticContact CD2-CZ2 3.63Å
672	G	91.6	Very high	96.2	Very high	1 Å²	1	15 Å²	15	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	-73	-18.3	-172.9	0	0	0	0	0	113.4	Q390 P675	Q390-G672 WeakPolarHBondContact O-CA 3.31Å; G672-P675 WeakPolarHBondContact O-CD 3.31Å
673	T	95.4	Very high	96.3	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.025	8%	0.078	C	C	.	.	H	α-helix	trans	-66.3	-46.6	174.2	51.4	0	0	0	0	111.2	Q390 N400 C402 A639 E642 H671 A676 S677	Q390-T673 HydrophobicContact CB-CG2 4.41Å; Q390-T673 HydrophobicContact CG-CG2 3.8Å; Q390-T673 VanDerWaalsContact OE1-N 3.08Å; N400-T673 WeakPolarHBondContact O-CG2 3.46Å; C402-T673 HydrophobicContact CB-CG2 3.74Å; A639-T673 HydrophobicContact CB-CG2 3.96Å; E642-T673 VanDerWaalsContact CD-OG1 3.31Å; E642-T673 WeakPolarHBondContact OE1-CB 3.32Å; E642-T673 PolarHBondContact OE1-OG1 2.98Å; E642-T673 VanDerWaalsContact OE2-CB 3.22Å; E642-T673 WeakPolarHBondContact OE2-CB 3.3Å; E642-T673 PolarHBondContact OE2-OG1 3.28Å; H671-T673 VanDerWaalsContact CE1-CG2 3.46Å; H671-T673 WeakPolarHBondContact CE1-CG2 3.09Å; H671-T673 WeakPolarHBondContact ND1-CG2 3.18Å; H671-T673 PolarHBondContact ND1-OG1 3.37Å; H671-T673 PolarHBondContact O-N 2.82Å; T673-A676 CarbonylContact O-C 3.58Å; T673-A676 WeakPolarHBondContact O-CA 3.44Å; T673-A676 WeakPolarHBondContact O-CB 3.43Å; T673-A676 PolarHBondContact O-N 2.81Å; T673-S677 WeakPolarHBondContact O-CB 3.4Å; T673-S677 PolarHBondContact O-N 2.94Å; T673-S677 PolarHBondContact O-OG 3.16Å; T673-S677 VanDerWaalsContact O-OG 3.09Å
674	N	97.9	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-50.3	-53.1	-173.7	-41.6	66.5	0	0	0	112.9	E642 I666 A670 H671 S677 A678 M716 D747	E642-N674 VanDerWaalsContact OE2-CA 3.28Å; E642-N674 WeakPolarHBondContact OE2-CA 3.44Å; E642-N674 PolarHBondContact OE2-N 3.31Å; E642-N674 VanDerWaalsContact OE2-N 3.09Å; I666-N674 HydrophobicContact CG2-CB 4.39Å; A670-N674 HydrophobicContact CB-CB 4.4Å; H671-N674 VanDerWaalsContact CA-OD1 3.31Å; H671-N674 WeakPolarHBondContact CA-OD1 3.46Å; H671-N674 VanDerWaalsContact CB-OD1 3.3Å; H671-N674 WeakPolarHBondContact CB-OD1 3.05Å; H671-N674 PolarHBondContact N-OD1 2.58Å; H671-N674 VanDerWaalsContact N-OD1 3.16Å; H671-N674 PolarHBondContact O-N 2.87Å; H671-N674 PolarHBondContact O-OD1 3.34Å; N674-S677 PolarHBondContact O-N 3.15Å; N674-A678 WeakPolarHBondContact O-CB 3.46Å; N674-A678 PolarHBondContact O-N 2.86Å; N674-M716 HydrophobicContact CB-CE 3.72Å; N674-M716 HydrophobicContact CB-SD 3.79Å; N674-M716 VanDerWaalsContact O-SD 3.38Å; N674-D747 PolarHBondContact ND2-OD2 3.25Å
675	P	96.8	Very high	96.2	Very high	2 Å²	2	23 Å²	23	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-70.6	-28.4	176.1	29.3	-35.9	0	0	0	114.3	R394 D395 I666 H671 G672 Q679 V685	R394-P675 HydrophobicContact CB-CB 4.47Å; R394-P675 HydrophobicContact CB-CG 3.68Å; R394-P675 HydrophobicContact CG-CG 4.33Å; D395-P675 HydrophobicContact CB-CB 4.18Å; I666-P675 HydrophobicContact CD1-CB 4.02Å; H671-P675 WeakPolarHBondContact O-CD 3.38Å; G672-P675 WeakPolarHBondContact O-CD 3.31Å; P675-Q679 PolarHBondContact O-N 3.47Å; P675-V685 HydrophobicContact CB-CG1 4.15Å; P675-V685 HydrophobicContact CB-CG2 4.14Å
676	A	97.5	Very high	96.2	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-70.2	-42.2	173.8	0	0	0	0	0	111.4	N400 T673 Q679 M680	N400-A676 HydrophobicContact CB-CB 3.66Å; T673-A676 CarbonylContact O-C 3.58Å; T673-A676 WeakPolarHBondContact O-CA 3.44Å; T673-A676 WeakPolarHBondContact O-CB 3.43Å; T673-A676 PolarHBondContact O-N 2.81Å; A676-Q679 PolarHBondContact O-N 2.76Å; A676-M680 VanDerWaalsContact O-CB 3.24Å; A676-M680 WeakPolarHBondContact O-CB 3.48Å; A676-M680 PolarHBondContact O-N 3.19Å
677	S	98.7	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-39.1	174.4	-60.7	0	0	0	0	111.7	N400 A639 E642 T673 N674 M680 A681	N400-S677 PolarHBondContact ND2-OG 2.91Å; A639-S677 PolarHBondContact O-OG 3.37Å; E642-S677 WeakPolarHBondContact CB-OG 3.48Å; E642-S677 VanDerWaalsContact OE2-CB 3.24Å; E642-S677 WeakPolarHBondContact OE2-CB 3.41Å; E642-S677 PolarHBondContact OE2-OG 3.08Å; T673-S677 WeakPolarHBondContact O-CB 3.4Å; T673-S677 PolarHBondContact O-N 2.94Å; T673-S677 PolarHBondContact O-OG 3.16Å; T673-S677 VanDerWaalsContact O-OG 3.09Å; N674-S677 PolarHBondContact O-N 3.15Å; S677-M680 PolarHBondContact O-N 2.94Å; S677-A681 WeakPolarHBondContact O-CB 3.44Å; S677-A681 PolarHBondContact O-N 3.12Å
678	A	98.3	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-43.7	173	0	0	0	0	0	112.5	L646 C664 I666 N674 M680 A681 G682 M683 V685 M716	L646-A678 HydrophobicContact CD1-CB 3.88Å; C664-A678 HydrophobicContact CB-CB 4.2Å; I666-A678 HydrophobicContact CD1-CB 3.86Å; N674-A678 WeakPolarHBondContact O-CB 3.46Å; N674-A678 PolarHBondContact O-N 2.86Å; A678-M680 VanDerWaalsContact C-N 3.29Å; A678-M680 PolarHBondContact O-N 3.28Å; A678-A681 PolarHBondContact O-N 3.24Å; A678-G682 PolarHBondContact O-N 3.49Å; A678-M683 HydrophobicContact CB-CB 4.39Å; A678-M683 WeakPolarHBondContact O-CB 3.47Å; A678-M683 PolarHBondContact O-N 3.12Å; A678-V685 HydrophobicContact CB-CG2 3.75Å; A678-M716 HydrophobicContact CB-SD 4.38Å
679	Q	96.8	Very high	96.4	Very high	96 Å²	96	25.6 Å²	25.6	45%	0.449	13%	0.134	S	C	.	.	H	α-helix	trans	-60.3	-41.3	171.9	-167.5	-146.4	55.6	0	0	111.4	D395 P675 A676 G682	D395-Q679 PolarHBondContact O-NE2 3.14Å; P675-Q679 PolarHBondContact O-N 3.47Å; A676-Q679 PolarHBondContact O-N 2.76Å; Q679-G682 WeakPolarHBondContact O-CA 3.46Å; Q679-G682 PolarHBondContact O-N 2.88Å
680	M	97.3	Very high	96.6	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-32.2	179	-173.1	177.3	-78.3	0	0	113.3	E225 R256 I260 N400 Y643 A676 S677 A678 G682	E225-M680 WeakPolarHBondContact OE1-CE 3.46Å; R256-M680 VanDerWaalsContact CD-CG 3.47Å; R256-M680 PolarHBondContact NH1-SD 3Å; R256-M680 VanDerWaalsContact NH1-SD 3.42Å; I260-M680 WeakPolarHBondContact CG2-O 3.49Å; N400-M680 HydrophobicContact CB-CE 4.11Å; N400-M680 HydrophobicContact CB-SD 4.44Å; N400-M680 VanDerWaalsContact CG-SD 3.58Å; N400-M680 VanDerWaalsContact OD1-CE 3.27Å; N400-M680 WeakPolarHBondContact OD1-CE 3.46Å; N400-M680 PolarHBondContact OD1-SD 3.3Å; Y643-M680 HydrophobicContact CD2-CB 4.17Å; Y643-M680 HydrophobicContact CD2-CG 3.73Å; Y643-M680 HydrophobicContact CD2-SD 4.13Å; Y643-M680 HydrophobicContact CE2-CG 3.93Å; Y643-M680 HydrophobicContact CG-CG 4.33Å; Y643-M680 HydrophobicContact CG-SD 4.11Å; A676-M680 VanDerWaalsContact O-CB 3.24Å; A676-M680 WeakPolarHBondContact O-CB 3.48Å; A676-M680 PolarHBondContact O-N 3.19Å; S677-M680 PolarHBondContact O-N 2.94Å; A678-M680 VanDerWaalsContact C-N 3.29Å; A678-M680 PolarHBondContact O-N 3.28Å; M680-G682 PolarHBondContact O-N 3.41Å
681	A	97.6	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2	167.8	0	0	0	0	0	113	Y643 L646 K650 S677 A678 M683	Y643-A681 HydrophobicContact CD2-CB 4.28Å; L646-A681 HydrophobicContact CB-CB 3.81Å; L646-A681 HydrophobicContact CD1-CB 4.48Å; K650-A681 WeakPolarHBondContact CD-O 3.38Å; K650-A681 PolarHBondContact NZ-O 2.95Å; S677-A681 WeakPolarHBondContact O-CB 3.44Å; S677-A681 PolarHBondContact O-N 3.12Å; A678-A681 PolarHBondContact O-N 3.24Å; A681-M683 HydrophobicContact CB-CG 4.42Å
682	G	95.6	Very high	96.5	Very high	26 Å²	26	36.3 Å²	36.3	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	41.7	-176.7	0	0	0	0	0	112.9	Y259 K650 A678 Q679 M680	Y259-G682 WeakPolarHBondContact O-CA 3.48Å; K650-G682 PolarHBondContact NZ-O 2.69Å; A678-G682 PolarHBondContact O-N 3.49Å; Q679-G682 WeakPolarHBondContact O-CA 3.46Å; Q679-G682 PolarHBondContact O-N 2.88Å; M680-G682 PolarHBondContact O-N 3.41Å
683	M	98.1	Very high	96.4	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.054	20%	0.204	C	C	.	.			trans	-100	153.1	168.9	-63	-177.5	175.5	0	0	110.6	L646 I649 K650 S662 C664 A678 A681 A713	L646-M683 HydrophobicContact CB-CE 3.97Å; L646-M683 HydrophobicContact CB-SD 4.28Å; L646-M683 HydrophobicContact CD1-SD 4.46Å; L646-M683 HydrophobicContact CD2-CE 4.31Å; L646-M683 HydrophobicContact CD2-SD 4.11Å; L646-M683 VanDerWaalsContact O-CE 3.32Å; L646-M683 WeakPolarHBondContact O-CE 3.32Å; I649-M683 HydrophobicContact CG2-CE 4.34Å; K650-M683 HydrophobicContact CB-CE 4.13Å; S662-M683 CarbonylContact O-C 3.6Å; S662-M683 VanDerWaalsContact O-CA 3.27Å; S662-M683 WeakPolarHBondContact O-CA 3.36Å; S662-M683 WeakPolarHBondContact O-CB 3.38Å; C664-M683 HydrophobicContact CB-CB 3.95Å; C664-M683 HydrophobicContact CB-SD 3.88Å; A678-M683 HydrophobicContact CB-CB 4.39Å; A678-M683 WeakPolarHBondContact O-CB 3.47Å; A678-M683 PolarHBondContact O-N 3.12Å; A681-M683 HydrophobicContact CB-CG 4.42Å; M683-A713 HydrophobicContact CE-CB 4.34Å
684	K	97.8	Very high	96	Very high	134 Å²	134	39.9 Å²	39.9	58%	0.583	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	105.1	174	-63.7	165.6	-173.4	151.4	0	108.1	S662 V663 C664 Q686	S662-K684 PolarHBondContact O-N 3.02Å; S662-K684 PolarHBondContact OG-NZ 2.79Å; V663-K684 WeakPolarHBondContact CA-O 3.34Å; V663-K684 HydrophobicContact CG2-CB 4.47Å; C664-K684 PolarHBondContact N-O 2.8Å; K684-Q686 PolarHBondContact O-N 3.02Å
685	V	97.9	Very high	95.7	Very high	45 Å²	45	41.9 Å²	41.9	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126.2	175	176.7	0	0	0	0	109.7	I666 P675 A678	I666-V685 HydrophobicContact CB-CG1 4.47Å; I666-V685 HydrophobicContact CD1-CG1 3.98Å; I666-V685 HydrophobicContact CD1-CG2 3.99Å; I666-V685 HydrophobicContact CG1-CG1 4.34Å; P675-V685 HydrophobicContact CB-CG1 4.15Å; P675-V685 HydrophobicContact CB-CG2 4.14Å; A678-V685 HydrophobicContact CB-CG2 3.75Å
686	Q	98.3	Very high	95.6	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.4	168.2	166.2	67.3	83.6	0	0	107.4	V663 C664 L665 I666 K684 L704 H708	V663-Q686 HydrophobicContact CG1-CB 3.99Å; C664-Q686 PolarHBondContact O-N 3.12Å; L665-Q686 WeakPolarHBondContact CA-O 3.48Å; L665-Q686 HydrophobicContact CD2-CB 3.92Å; L665-Q686 HydrophobicContact CD2-CG 3.7Å; I666-Q686 PolarHBondContact N-O 2.87Å; K684-Q686 PolarHBondContact O-N 3.02Å; Q686-L704 VanDerWaalsContact CD-CD2 3.45Å; Q686-L704 HydrophobicContact CG-CD1 3.81Å; Q686-L704 HydrophobicContact CG-CD2 3.76Å; Q686-L704 HydrophobicContact CG-CG 4.29Å; Q686-H708 WeakPolarHBondContact CG-NE2 3.46Å; Q686-H708 PolarHBondContact OE1-NE2 2.75Å
687	V	97.6	Very high	95.6	Very high	57 Å²	57	44.4 Å²	44.4	35%	0.345	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.7	-179.6	-179.8	0	0	0	0	109.7	I666 K668 L704	I666-V687 CarbonylContact O-C 3.59Å; I666-V687 WeakPolarHBondContact O-CA 3.12Å; K668-V687 HydrophobicContact CB-CG1 4.03Å; K668-V687 HydrophobicContact CG-CG1 4.4Å; V687-L704 VanDerWaalsContact O-CD1 3.28Å; V687-L704 WeakPolarHBondContact O-CD1 3.31Å
688	V	98	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.1	165.8	-168.2	0	0	0	0	107.7	L665 I666 P667 K668 I696 L701 L704	L665-V688 HydrophobicContact CB-CG2 3.95Å; I666-V688 PolarHBondContact O-N 3.37Å; P667-V688 CarbonylContact C-O 3.57Å; P667-V688 WeakPolarHBondContact CA-O 3.49Å; K668-V688 PolarHBondContact N-O 2.78Å; V688-I696 HydrophobicContact CG1-CG2 4.04Å; V688-L701 HydrophobicContact CG1-CB 4.04Å; V688-L701 HydrophobicContact CG1-CD1 4.26Å; V688-L701 HydrophobicContact CG2-CD1 4.18Å; V688-L704 HydrophobicContact CB-CD1 4.46Å; V688-L704 HydrophobicContact CG2-CD1 4Å
689	E	97.5	Very high	95.4	Very high	68 Å²	68	50.7 Å²	50.7	32%	0.318	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-66.3	162.6	174	-69.4	-63.9	145	0	0	112.2	K668 D697 H700	K668-E689 WeakPolarHBondContact CD-OE2 3.32Å; K668-E689 WeakPolarHBondContact CE-OE2 3.46Å; K668-E689 IonicContact NZ-OE1 3.61Å; K668-E689 PolarHBondContact NZ-OE1 2.91Å; K668-E689 IonicContact NZ-OE2 2.78Å; K668-E689 PolarHBondContact NZ-OE2 3.27Å; E689-D697 PolarHBondContact O-N 3.07Å; E689-D697 VanDerWaalsContact O-N 3.15Å; E689-H700 PolarHBondContact N-CE1 2.97Å; E689-H700 PolarHBondContact N-ND1 3.4Å; E689-H700 VanDerWaalsContact N-ND1 3.18Å
690	V	95.1	Very high	95.5	Very high	32 Å²	32	48.9 Å²	48.9	19%	0.194	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-115.7	149.1	175.2	-67.3	0	0	0	0	109.3	K668 N695 F723	K668-V690 HydrophobicContact CB-CG1 4.5Å; V690-N695 CarbonylContact C-O 3.55Å; V690-N695 WeakPolarHBondContact CA-O 3.26Å; V690-N695 VanDerWaalsContact CB-O 3.31Å; V690-N695 WeakPolarHBondContact CB-O 3.37Å; V690-F723 HydrophobicContact CB-CE2 4.4Å; V690-F723 HydrophobicContact CG1-CE2 4.42Å; V690-F723 HydrophobicContact CG2-CE2 4.17Å; V690-F723 HydrophobicContact CG2-CZ 4.27Å
691	D	92.8	Very high	95.5	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	26%	0.26	S	S	.	.			trans	-74	177.1	178.4	76.6	20.6	0	0	0	112.4	D693 G694 N695	D691-D693 PolarHBondContact O-N 2.85Å; D691-D693 WeakPolarHBondContact OD1-CA 3.09Å; D691-D693 PolarHBondContact OD1-N 3.07Å; D691-G694 PolarHBondContact O-N 3.08Å; D691-G694 PolarHBondContact OD1-N 3.12Å; D691-N695 PolarHBondContact N-O 3.09Å; D691-N695 PolarHBondContact OD1-N 3.12Å; D691-N695 PolarHBondContact OD1-ND2 2.74Å; D691-N695 WeakPolarHBondContact OD2-CB 3.29Å; D691-N695 PolarHBondContact OD2-ND2 3.28Å
692	K	90.9	Very high	95.5	Very high	178 Å²	178	54.6 Å²	54.6	77%	0.774	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.6	179.5	57.2	160.1	-158.6	175.8	0	114.3
693	D	87.7	Confident	95.7	Very high	81 Å²	81	56.2 Å²	56.2	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-7.9	-174	-58	-41.3	0	0	0	111.4	D691 F872	D691-D693 PolarHBondContact O-N 2.85Å; D691-D693 WeakPolarHBondContact OD1-CA 3.09Å; D691-D693 PolarHBondContact OD1-N 3.07Å; D693-F872 VanDerWaalsContact C-CD1 3.5Å; D693-F872 VanDerWaalsContact O-CD1 3.26Å; D693-F872 WeakPolarHBondContact O-CD1 3.04Å
694	G	87.3	Confident	95.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	112.8	-4.7	169.9	0	0	0	0	0	115.3	D691 F723	D691-G694 PolarHBondContact O-N 3.08Å; D691-G694 PolarHBondContact OD1-N 3.12Å; G694-F723 WeakPolarHBondContact O-CD2 3.45Å; G694-F723 WeakPolarHBondContact O-CE2 3.46Å
695	N	92.4	Very high	95.7	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	27%	0.269	C	S	.	.	S	Bend	trans	-82.4	168.3	-174.2	-40.3	-81.2	0	0	0	111.5	V690 D691 D697 E727	V690-N695 CarbonylContact C-O 3.55Å; V690-N695 WeakPolarHBondContact CA-O 3.26Å; V690-N695 VanDerWaalsContact CB-O 3.31Å; V690-N695 WeakPolarHBondContact CB-O 3.37Å; D691-N695 PolarHBondContact N-O 3.09Å; D691-N695 PolarHBondContact OD1-N 3.12Å; D691-N695 PolarHBondContact OD1-ND2 2.74Å; D691-N695 WeakPolarHBondContact OD2-CB 3.29Å; D691-N695 PolarHBondContact OD2-ND2 3.28Å; N695-D697 PolarHBondContact O-N 3.31Å; N695-E727 HydrophobicContact CB-CG 4.21Å
696	I	95.7	Very high	95.7	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.036	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-63.6	128.1	168.4	-67.4	160.6	0	0	0	109.2	P667 V688 L698 L701 M715 I717 E727	P667-I696 HydrophobicContact CB-CG1 4.25Å; P667-I696 HydrophobicContact CG-CD1 3.98Å; P667-I696 HydrophobicContact CG-CG1 3.89Å; V688-I696 HydrophobicContact CG1-CG2 4.04Å; I696-L698 PolarHBondContact O-N 3.22Å; I696-L701 HydrophobicContact CG2-CB 4.26Å; I696-L701 HydrophobicContact CG2-CD2 4.06Å; I696-M715 HydrophobicContact CD1-CE 3.92Å; I696-M715 HydrophobicContact CG2-CE 4.3Å; I696-I717 HydrophobicContact CD1-CG2 4Å; I696-E727 WeakPolarHBondContact CG1-OE1 2.72Å; I696-E727 PolarHBondContact N-OE1 3.22Å; I696-E727 PolarHBondContact N-OE2 3.28Å
697	D	96.6	Very high	95.7	Very high	53 Å²	53	57.5 Å²	57.5	28%	0.283	30%	0.3	S	S	.	.			trans	-67	100.6	173	179.2	-18	0	0	0	109.5	E689 N695 A699 H700 L701	E689-D697 PolarHBondContact O-N 3.07Å; E689-D697 VanDerWaalsContact O-N 3.15Å; N695-D697 PolarHBondContact O-N 3.31Å; D697-A699 PolarHBondContact O-N 3.32Å; D697-A699 WeakPolarHBondContact OD1-CA 3.21Å; D697-A699 WeakPolarHBondContact OD1-CB 3.32Å; D697-A699 PolarHBondContact OD1-N 3.31Å; D697-H700 HydrophobicContact CB-CB 3.94Å; D697-H700 VanDerWaalsContact CG-CB 3.44Å; D697-H700 PolarHBondContact O-N 3.22Å; D697-H700 PolarHBondContact OD1-N 3.34Å; D697-H700 WeakPolarHBondContact OD2-CB 3.17Å; D697-L701 VanDerWaalsContact O-CB 3.24Å; D697-L701 WeakPolarHBondContact O-CB 3.48Å; D697-L701 PolarHBondContact O-N 3.22Å
698	L	95.6	Very high	95.7	Very high	59 Å²	59	57.1 Å²	57.1	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-23.3	-178.6	-63	-179.5	0	0	0	113.4	I696 L701 K702 V733	I696-L698 PolarHBondContact O-N 3.22Å; L698-L701 HydrophobicContact CD2-CD2 4.23Å; L698-K702 WeakPolarHBondContact O-CB 3.43Å; L698-K702 WeakPolarHBondContact O-CD 3.32Å; L698-K702 WeakPolarHBondContact O-CG 3.13Å; L698-K702 PolarHBondContact O-N 3.05Å; L698-K702 VanDerWaalsContact O-N 3.15Å; L698-V733 HydrophobicContact CD2-CG2 3.65Å
699	A	96.9	Very high	95.7	Very high	74 Å²	74	61.1 Å²	61.1	61%	0.612	31%	0.312	S	S	*	.	H	α-helix	trans	-78.1	-46.8	176.7	0	0	0	0	0	110.3	D697 K702 A703	D697-A699 PolarHBondContact O-N 3.32Å; D697-A699 WeakPolarHBondContact OD1-CA 3.21Å; D697-A699 WeakPolarHBondContact OD1-CB 3.32Å; D697-A699 PolarHBondContact OD1-N 3.31Å; A699-K702 PolarHBondContact O-N 3.37Å; A699-A703 PolarHBondContact O-N 2.91Å
700	H	98.1	Very high	95.6	Very high	58 Å²	58	61.9 Å²	61.9	27%	0.269	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-38.5	173.8	-177.3	-107.3	0	0	0	112	E689 D697 A703 L704	E689-H700 PolarHBondContact N-CE1 2.97Å; E689-H700 PolarHBondContact N-ND1 3.4Å; E689-H700 VanDerWaalsContact N-ND1 3.18Å; D697-H700 HydrophobicContact CB-CB 3.94Å; D697-H700 VanDerWaalsContact CG-CB 3.44Å; D697-H700 PolarHBondContact O-N 3.22Å; D697-H700 PolarHBondContact OD1-N 3.34Å; D697-H700 WeakPolarHBondContact OD2-CB 3.17Å; H700-A703 PolarHBondContact O-N 2.98Å; H700-L704 WeakPolarHBondContact CE1-CD1 3.45Å; H700-L704 WeakPolarHBondContact O-CB 3.25Å; H700-L704 WeakPolarHBondContact O-CG 3.43Å; H700-L704 PolarHBondContact O-N 2.96Å
701	L	98.2	Very high	95.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-52.3	172.3	178.2	63.9	0	0	0	111.1	L665 V688 I696 D697 L698 A703 L704 V705 M715 V733 L736	L665-L701 HydrophobicContact CD1-CD1 3.99Å; V688-L701 HydrophobicContact CG1-CB 4.04Å; V688-L701 HydrophobicContact CG1-CD1 4.26Å; V688-L701 HydrophobicContact CG2-CD1 4.18Å; I696-L701 HydrophobicContact CG2-CB 4.26Å; I696-L701 HydrophobicContact CG2-CD2 4.06Å; D697-L701 VanDerWaalsContact O-CB 3.24Å; D697-L701 WeakPolarHBondContact O-CB 3.48Å; D697-L701 PolarHBondContact O-N 3.22Å; L698-L701 HydrophobicContact CD2-CD2 4.23Å; L701-A703 VanDerWaalsContact C-N 3.33Å; L701-A703 PolarHBondContact O-N 2.9Å; L701-L704 PolarHBondContact O-N 2.79Å; L701-L704 VanDerWaalsContact O-N 3.13Å; L701-V705 HydrophobicContact CD1-CG2 4.01Å; L701-V705 HydrophobicContact CG-CG2 4.27Å; L701-V705 WeakPolarHBondContact O-CG2 3.29Å; L701-V705 PolarHBondContact O-N 3.45Å; L701-M715 HydrophobicContact CD1-CE 3.77Å; L701-M715 HydrophobicContact CD1-SD 3.78Å; L701-M715 HydrophobicContact CD2-CE 4.24Å; L701-M715 HydrophobicContact CD2-SD 4.4Å; L701-V733 HydrophobicContact CD2-CG1 4.05Å; L701-V733 HydrophobicContact CD2-CG2 4.2Å; L701-L736 HydrophobicContact CD2-CD2 3.95Å; L701-L736 HydrophobicContact CG-CD2 4.04Å
702	K	98.2	Very high	96	Very high	123 Å²	123	59.3 Å²	59.3	54%	0.535	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-41.8	178.9	-76.1	171.6	-176.8	-177.3	0	112.1	L698 A699 L704 V705 E706 L736	L698-K702 WeakPolarHBondContact O-CB 3.43Å; L698-K702 WeakPolarHBondContact O-CD 3.32Å; L698-K702 WeakPolarHBondContact O-CG 3.13Å; L698-K702 PolarHBondContact O-N 3.05Å; L698-K702 VanDerWaalsContact O-N 3.15Å; A699-K702 PolarHBondContact O-N 3.37Å; K702-L704 VanDerWaalsContact C-N 3.33Å; K702-L704 PolarHBondContact O-N 3.45Å; K702-V705 PolarHBondContact O-N 3.25Å; K702-E706 PolarHBondContact O-N 3.21Å; K702-L736 HydrophobicContact CG-CD1 4.43Å; K702-L736 HydrophobicContact CG-CD2 3.66Å
703	A	98.3	Very high	96.4	Very high	61 Å²	61	50.9 Å²	50.9	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-38.9	175.3	0	0	0	0	0	112.6	A699 H700 L701 K707	A699-A703 PolarHBondContact O-N 2.91Å; H700-A703 PolarHBondContact O-N 2.98Å; L701-A703 VanDerWaalsContact C-N 3.33Å; L701-A703 PolarHBondContact O-N 2.9Å; A703-K707 WeakPolarHBondContact O-CB 3.24Å; A703-K707 PolarHBondContact O-N 3.49Å; A703-K707 VanDerWaalsContact O-N 3.08Å
704	L	98.4	Very high	96.9	Very high	8 Å²	8	47 Å²	47	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-73.9	-38.5	176.3	-72.7	179.2	0	0	0	113.5	L665 Q686 V687 V688 H700 L701 K702 K707 H708	L665-L704 HydrophobicContact CD2-CB 4.18Å; Q686-L704 VanDerWaalsContact CD-CD2 3.45Å; Q686-L704 HydrophobicContact CG-CD1 3.81Å; Q686-L704 HydrophobicContact CG-CD2 3.76Å; Q686-L704 HydrophobicContact CG-CG 4.29Å; V687-L704 VanDerWaalsContact O-CD1 3.28Å; V687-L704 WeakPolarHBondContact O-CD1 3.31Å; V688-L704 HydrophobicContact CB-CD1 4.46Å; V688-L704 HydrophobicContact CG2-CD1 4Å; H700-L704 WeakPolarHBondContact CE1-CD1 3.45Å; H700-L704 WeakPolarHBondContact O-CB 3.25Å; H700-L704 WeakPolarHBondContact O-CG 3.43Å; H700-L704 PolarHBondContact O-N 2.96Å; L701-L704 PolarHBondContact O-N 2.79Å; L701-L704 VanDerWaalsContact O-N 3.13Å; K702-L704 VanDerWaalsContact C-N 3.33Å; K702-L704 PolarHBondContact O-N 3.45Å; L704-K707 HydrophobicContact CD2-CD 4.11Å; L704-H708 WeakPolarHBondContact O-CB 3.15Å; L704-H708 PolarHBondContact O-CD2 2.77Å; L704-H708 PolarHBondContact O-N 2.77Å
705	V	98.4	Very high	97.5	Very high	2 Å²	2	47 Å²	47	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-47	176.1	168.7	0	0	0	0	110.2	L665 L701 K702 H708 K709 L712 L736 I737 N740	L665-V705 HydrophobicContact CD1-CG2 3.59Å; L701-V705 HydrophobicContact CD1-CG2 4.01Å; L701-V705 HydrophobicContact CG-CG2 4.27Å; L701-V705 WeakPolarHBondContact O-CG2 3.29Å; L701-V705 PolarHBondContact O-N 3.45Å; K702-V705 PolarHBondContact O-N 3.25Å; V705-H708 PolarHBondContact O-N 3.39Å; V705-K709 VanDerWaalsContact O-CA 3.27Å; V705-K709 WeakPolarHBondContact O-CA 3.09Å; V705-K709 WeakPolarHBondContact O-CB 3.23Å; V705-K709 PolarHBondContact O-N 2.77Å; V705-L712 HydrophobicContact CG1-CD2 4.32Å; V705-L736 HydrophobicContact CG1-CD1 4.15Å; V705-L736 HydrophobicContact CG1-CG 4.27Å; V705-L736 HydrophobicContact CG2-CD2 4.32Å; V705-L736 HydrophobicContact CG2-CG 4.31Å; V705-I737 HydrophobicContact CG2-CD1 3.73Å; V705-N740 HydrophobicContact CG1-CB 3.76Å; V705-N740 VanDerWaalsContact CG1-CG 3.47Å; V705-N740 WeakPolarHBondContact CG1-ND2 3.41Å
706	E	97.9	Very high	97.8	Very high	118 Å²	118	45.1 Å²	45.1	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-66.9	-46.7	177.7	-173.4	57.7	-156.8	0	0	111.6	K702 H708 K709	K702-E706 PolarHBondContact O-N 3.21Å; E706-H708 PolarHBondContact O-N 3.37Å; E706-K709 WeakPolarHBondContact O-CB 3.32Å; E706-K709 PolarHBondContact O-N 2.82Å; E706-K709 IonicContact OE2-NZ 2.8Å; E706-K709 PolarHBondContact OE2-NZ 2.93Å
707	K	98.3	Very high	97.9	Very high	133 Å²	133	44.9 Å²	44.9	58%	0.578	25%	0.249	S	C	*	.	H	α-helix	trans	-53.7	-36.9	175.4	174.5	-170.4	170.2	-164.5	0	113.3	A703 L704	A703-K707 WeakPolarHBondContact O-CB 3.24Å; A703-K707 PolarHBondContact O-N 3.49Å; A703-K707 VanDerWaalsContact O-N 3.08Å; L704-K707 HydrophobicContact CD2-CD 4.11Å
708	H	98.1	Very high	98	Very high	48 Å²	48	43 Å²	43	22%	0.222	24%	0.239	C	C	.	.	H	α-helix	trans	-108.9	2	-173.5	-68.2	-67.5	0	0	0	114.3	V663 Q686 L704 V705 E706 A710 S711 L712	V663-H708 HydrophobicContact CB-CB 4.4Å; V663-H708 HydrophobicContact CG1-CB 4.13Å; V663-H708 HydrophobicContact CG2-CB 4.34Å; Q686-H708 WeakPolarHBondContact CG-NE2 3.46Å; Q686-H708 PolarHBondContact OE1-NE2 2.75Å; L704-H708 WeakPolarHBondContact O-CB 3.15Å; L704-H708 PolarHBondContact O-CD2 2.77Å; L704-H708 PolarHBondContact O-N 2.77Å; V705-H708 PolarHBondContact O-N 3.39Å; E706-H708 PolarHBondContact O-N 3.37Å; H708-A710 VanDerWaalsContact C-N 3.35Å; H708-A710 PolarHBondContact O-N 3.16Å; H708-A710 VanDerWaalsContact O-N 3.1Å; H708-S711 CarbonylContact O-C 3.37Å; H708-S711 WeakPolarHBondContact O-CA 3.37Å; H708-S711 PolarHBondContact O-N 3.32Å; H708-S711 PolarHBondContact O-OG 2.87Å; H708-L712 PolarHBondContact O-N 3.05Å
709	K	96.6	Very high	98.1	Very high	85 Å²	85	40.1 Å²	40.1	37%	0.37	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-37.3	-53.1	-172.9	-170.4	-175.1	-154.5	95.4	0	115.3	R661 V705 E706 S711 N740	R661-K709 PolarHBondContact NH1-O 3.24Å; R661-K709 VanDerWaalsContact NH1-O 3.16Å; V705-K709 VanDerWaalsContact O-CA 3.27Å; V705-K709 WeakPolarHBondContact O-CA 3.09Å; V705-K709 WeakPolarHBondContact O-CB 3.23Å; V705-K709 PolarHBondContact O-N 2.77Å; E706-K709 WeakPolarHBondContact O-CB 3.32Å; E706-K709 PolarHBondContact O-N 2.82Å; E706-K709 IonicContact OE2-NZ 2.8Å; E706-K709 PolarHBondContact OE2-NZ 2.93Å; K709-S711 PolarHBondContact O-N 2.92Å; K709-N740 WeakPolarHBondContact CE-OD1 3.35Å; K709-N740 HydrophobicContact CG-CB 4.27Å; K709-N740 WeakPolarHBondContact CG-OD1 3.48Å; K709-N740 PolarHBondContact NZ-OD1 3.22Å
710	A	96.6	Very high	98.1	Very high	84 Å²	84	36.6 Å²	36.6	69%	0.694	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-73	-5.3	-178.6	0	0	0	0	0	115	H708	H708-A710 VanDerWaalsContact C-N 3.35Å; H708-A710 PolarHBondContact O-N 3.16Å; H708-A710 VanDerWaalsContact O-N 3.1Å
711	S	97.9	Very high	98.1	Very high	32 Å²	32	34 Å²	34	22%	0.224	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-132.9	1.9	-175.7	64.3	0	0	0	0	113.7	R661 S662 V663 H708 K709 A713	R661-S711 CarbonylContact C-O 3.23Å; R661-S711 WeakPolarHBondContact CA-O 3.29Å; S662-S711 PolarHBondContact N-O 2.84Å; V663-S711 WeakPolarHBondContact CG2-OG 3.46Å; V663-S711 PolarHBondContact N-O 2.98Å; H708-S711 CarbonylContact O-C 3.37Å; H708-S711 WeakPolarHBondContact O-CA 3.37Å; H708-S711 PolarHBondContact O-N 3.32Å; H708-S711 PolarHBondContact O-OG 2.87Å; K709-S711 PolarHBondContact O-N 2.92Å; S711-A713 PolarHBondContact O-N 3.41Å
712	L	98.7	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.2	179.6	176.8	62.5	0	0	0	109.3	R661 L665 V705 H708 I737 N740	R661-L712 VanDerWaalsContact CD-O 3.24Å; R661-L712 WeakPolarHBondContact CD-O 3.25Å; R661-L712 WeakPolarHBondContact CG-O 3.43Å; R661-L712 PolarHBondContact NH1-O 2.85Å; L665-L712 HydrophobicContact CD1-CD1 3.78Å; L665-L712 HydrophobicContact CG-CD1 3.74Å; V705-L712 HydrophobicContact CG1-CD2 4.32Å; H708-L712 PolarHBondContact O-N 3.05Å; L712-I737 HydrophobicContact CD2-CD1 4.09Å; L712-N740 HydrophobicContact CD2-CB 3.98Å
713	A	98.6	Very high	97.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-47	175	0	0	0	0	0	111.6	L653 R661 V663 M683 S711 G742 Q743	L653-A713 HydrophobicContact CD1-CB 3.78Å; R661-A713 HydrophobicContact CB-CB 4.06Å; V663-A713 PolarHBondContact O-N 2.9Å; M683-A713 HydrophobicContact CE-CB 4.34Å; S711-A713 PolarHBondContact O-N 3.41Å; A713-G742 CarbonylContact O-C 3.46Å; A713-G742 WeakPolarHBondContact O-CA 3.41Å; A713-Q743 PolarHBondContact O-N 3.18Å
714	A	98.7	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.3	-174.1	0	0	0	0	0	113.6	L646 I649 V663 C664 L665 Q743	L646-A714 HydrophobicContact CD2-CB 4.29Å; I649-A714 HydrophobicContact CD1-CB 4.33Å; I649-A714 HydrophobicContact CG2-CB 4.44Å; V663-A714 PolarHBondContact O-N 3.31Å; C664-A714 CarbonylContact C-O 3.42Å; C664-A714 WeakPolarHBondContact CA-O 3.26Å; L665-A714 PolarHBondContact N-O 2.97Å; A714-Q743 CarbonylContact C-O 3.48Å; A714-Q743 WeakPolarHBondContact CA-O 3.28Å
715	M	98.6	Very high	97.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	153.8	-174.4	171.5	-177.8	0	0	109	L665 P667 I696 L701 I717 V733 I737 Q743 Y745	L665-M715 HydrophobicContact CB-CB 4.18Å; L665-M715 HydrophobicContact CB-CG 3.99Å; L665-M715 CarbonylContact O-C 3.53Å; L665-M715 VanDerWaalsContact O-CA 3.3Å; L665-M715 WeakPolarHBondContact O-CA 3.19Å; P667-M715 HydrophobicContact CG-CE 4.03Å; I696-M715 HydrophobicContact CD1-CE 3.92Å; I696-M715 HydrophobicContact CG2-CE 4.3Å; L701-M715 HydrophobicContact CD1-CE 3.77Å; L701-M715 HydrophobicContact CD1-SD 3.78Å; L701-M715 HydrophobicContact CD2-CE 4.24Å; L701-M715 HydrophobicContact CD2-SD 4.4Å; M715-I717 HydrophobicContact CE-CG2 3.79Å; M715-I717 HydrophobicContact CG-CG2 4.19Å; M715-I717 HydrophobicContact SD-CG2 4.22Å; M715-V733 HydrophobicContact CE-CG1 3.93Å; M715-V733 HydrophobicContact SD-CG1 3.74Å; M715-I737 HydrophobicContact CB-CD1 3.78Å; M715-I737 HydrophobicContact CB-CG1 3.77Å; M715-I737 HydrophobicContact CB-CG2 4.3Å; M715-I737 HydrophobicContact CG-CD1 4.4Å; M715-I737 HydrophobicContact CG-CG1 4.43Å; M715-I737 HydrophobicContact SD-CD1 3.84Å; M715-I737 HydrophobicContact SD-CG1 3.8Å; M715-Q743 PolarHBondContact N-O 3.18Å; M715-Y745 PolarHBondContact O-N 2.99Å
716	M	98.8	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.7	168.7	-62.5	-178.1	88.5	0	0	109.3	E642 L646 L665 I666 P667 N674 A678 Y745	E642-M716 HydrophobicContact CB-CE 4.09Å; E642-M716 HydrophobicContact CG-CE 4.12Å; L646-M716 HydrophobicContact CD1-CE 3.91Å; L646-M716 HydrophobicContact CD1-SD 3.75Å; L646-M716 HydrophobicContact CD2-CE 4.41Å; L646-M716 HydrophobicContact CD2-CG 4.12Å; L646-M716 HydrophobicContact CD2-SD 4.19Å; L646-M716 HydrophobicContact CG-CE 4.31Å; L646-M716 HydrophobicContact CG-SD 4.44Å; L665-M716 PolarHBondContact O-N 3.31Å; I666-M716 HydrophobicContact CD1-SD 3.81Å; I666-M716 HydrophobicContact CG1-CB 4.24Å; I666-M716 HydrophobicContact CG1-CG 4.39Å; I666-M716 HydrophobicContact CG1-SD 4.32Å; P667-M716 WeakPolarHBondContact CD-O 3.46Å; N674-M716 HydrophobicContact CB-CE 3.72Å; N674-M716 HydrophobicContact CB-SD 3.79Å; N674-M716 VanDerWaalsContact O-SD 3.38Å; A678-M716 HydrophobicContact CB-SD 4.38Å; M716-Y745 WeakPolarHBondContact CA-O 3.38Å; M716-Y745 HydrophobicContact CB-CD1 4.34Å; M716-Y745 HydrophobicContact CE-CD1 3.53Å; M716-Y745 HydrophobicContact CE-CE1 3.69Å; M716-Y745 HydrophobicContact CE-CG 4.14Å; M716-Y745 HydrophobicContact CG-CD1 4.03Å; M716-Y745 HydrophobicContact CG-CG 4.26Å
717	I	98.4	Very high	97.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	153.8	173.1	49.8	171.9	0	0	0	110	I696 M715 I730 V733 V744 Y745 L746 D747	I696-I717 HydrophobicContact CD1-CG2 4Å; M715-I717 HydrophobicContact CE-CG2 3.79Å; M715-I717 HydrophobicContact CG-CG2 4.19Å; M715-I717 HydrophobicContact SD-CG2 4.22Å; I717-I730 HydrophobicContact CD1-CD1 3.87Å; I717-I730 HydrophobicContact CD1-CG1 4.15Å; I717-V733 HydrophobicContact CG2-CG1 4.39Å; I717-V744 HydrophobicContact CD1-CG1 3.73Å; I717-V744 HydrophobicContact CG1-CG1 4.11Å; I717-Y745 WeakPolarHBondContact CG1-O 3.37Å; I717-Y745 PolarHBondContact N-O 3.35Å; I717-L746 HydrophobicContact CD1-CB 4.36Å; I717-L746 HydrophobicContact CD1-CD1 3.88Å; I717-L746 HydrophobicContact CD1-CG 4.31Å; I717-L746 HydrophobicContact CG1-CB 4.04Å; I717-L746 HydrophobicContact CG1-CD1 4.26Å; I717-L746 HydrophobicContact CG1-CG 4.13Å; I717-L746 CarbonylContact O-C 3.45Å; I717-L746 WeakPolarHBondContact O-CA 3.47Å; I717-D747 WeakPolarHBondContact O-CB 3.5Å; I717-D747 PolarHBondContact O-N 3.48Å
718	T	98.4	Very high	97.1	Very high	13 Å²	13	17.2 Å²	17.2	8%	0.08	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134	166.5	-48	0	0	0	0	106.8	P720 S721 T722 D747 N750	T718-P720 CarbonylContact C-O 3.4Å; T718-P720 CarbonylContact O-C 3.5Å; T718-S721 WeakPolarHBondContact O-CA 3.35Å; T718-T722 HydrophobicContact CG2-CG2 3.96Å; T718-D747 HydrophobicContact CG2-CB 4.11Å; T718-D747 PolarHBondContact OG1-OD2 2.99Å; T718-N750 HydrophobicContact CG2-CB 4.42Å
719	Y	98.2	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-138.3	129.6	-175.9	-158.4	-100.8	0	0	0	112.7	I119 F726 E727 I730 Q754 Y763	I119-Y719 HydrophobicContact CD1-CE1 3.36Å; I119-Y719 VanDerWaalsContact CD1-OH 3.22Å; I119-Y719 WeakPolarHBondContact CD1-OH 3.18Å; Y719-F726 HydrophobicContact CD1-CD1 4.3Å; Y719-F726 HydrophobicContact CD1-CE1 4.44Å; Y719-F726 AromaticContact CE1-CD1 3.51Å; Y719-F726 HydrophobicContact CE1-CD1 3.51Å; Y719-F726 AromaticContact CE1-CE1 3.91Å; Y719-F726 HydrophobicContact CE1-CE1 3.91Å; Y719-F726 AromaticContact CZ-CD1 3.66Å; Y719-E727 HydrophobicContact CE2-CB 4.25Å; Y719-E727 PolarHBondContact OH-O 2.72Å; Y719-E727 VanDerWaalsContact OH-O 3.12Å; Y719-I730 HydrophobicContact CD2-CB 4.13Å; Y719-I730 HydrophobicContact CD2-CD1 3.85Å; Y719-I730 HydrophobicContact CD2-CG1 3.63Å; Y719-I730 HydrophobicContact CD2-CG2 4.45Å; Y719-I730 HydrophobicContact CE1-CG2 4.38Å; Y719-I730 HydrophobicContact CE2-CB 3.62Å; Y719-I730 HydrophobicContact CE2-CD1 4.12Å; Y719-I730 HydrophobicContact CE2-CG1 3.7Å; Y719-I730 HydrophobicContact CE2-CG2 3.81Å; Y719-I730 HydrophobicContact CG-CG1 4.34Å; Y719-Q754 PolarHBondContact O-NE2 3.26Å; Y719-Y763 HydrophobicContact CD1-CE1 4.49Å; Y719-Y763 HydrophobicContact CD1-CE2 4.23Å; Y719-Y763 AromaticContact CD1-CZ 3.76Å; Y719-Y763 VanDerWaalsContact CD1-OH 3.29Å; Y719-Y763 WeakPolarHBondContact CD1-OH 3.11Å; Y719-Y763 HydrophobicContact CG-CE2 4.5Å
720	P	97.8	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	S	Bend	cis	-50.5	157.7	-19.3	28.1	-38	0	0	0	111.1	T718 V725 F726 N750 A753 A880	T718-P720 CarbonylContact C-O 3.4Å; T718-P720 CarbonylContact O-C 3.5Å; P720-V725 CarbonylContact C-O 3.53Å; P720-V725 WeakPolarHBondContact CA-O 3.49Å; P720-V725 VanDerWaalsContact CB-O 3.3Å; P720-V725 WeakPolarHBondContact CB-O 3.44Å; P720-F726 HydrophobicContact CB-CD1 4.01Å; P720-F726 HydrophobicContact CB-CD2 4.32Å; P720-F726 HydrophobicContact CB-CE1 4.08Å; P720-F726 HydrophobicContact CB-CE2 4.38Å; P720-F726 HydrophobicContact CB-CG 4.14Å; P720-F726 HydrophobicContact CB-CZ 4.27Å; P720-F726 HydrophobicContact CG-CE1 4.28Å; P720-F726 HydrophobicContact CG-CZ 4.19Å; P720-N750 HydrophobicContact CG-CB 4.16Å; P720-N750 PolarHBondContact O-ND2 3.28Å; P720-A753 HydrophobicContact CG-CB 3.65Å; P720-A880 HydrophobicContact CB-CB 3.81Å; P720-A880 HydrophobicContact CG-CB 3.68Å
721	S	96.9	Very high	96.8	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.028	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-59.5	159.7	-174.8	76.3	0	0	0	0	111.4	T718 F723 G724 V725 N750	T718-S721 WeakPolarHBondContact O-CA 3.35Å; S721-F723 PolarHBondContact O-N 3.29Å; S721-F723 PolarHBondContact OG-N 3.07Å; S721-G724 PolarHBondContact O-N 3.23Å; S721-V725 PolarHBondContact N-O 3.18Å; S721-V725 PolarHBondContact OG-O 2.8Å; S721-N750 PolarHBondContact O-ND2 2.95Å
722	T	95.9	Very high	96.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-2.5	176.1	54.4	0	0	0	0	113.8	S669 T718 G724 W917 P918	S669-T722 VanDerWaalsContact C-OG1 3.25Å; S669-T722 WeakPolarHBondContact CB-OG1 3.22Å; S669-T722 PolarHBondContact O-OG1 3.37Å; T718-T722 HydrophobicContact CG2-CG2 3.96Å; T722-G724 VanDerWaalsContact C-N 3.35Å; T722-W917 HydrophobicContact CG2-CH2 3.7Å; T722-W917 HydrophobicContact CG2-CZ2 3.8Å; T722-P918 WeakPolarHBondContact O-CG 3.31Å
723	F	96.7	Very high	96.7	Very high	9 Å²	9	17.7 Å²	17.7	4%	0.039	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.5	168.7	-63.1	-31.2	0	0	0	113.3	V690 G694 S721 F872 I884 P918 V919	V690-F723 HydrophobicContact CB-CE2 4.4Å; V690-F723 HydrophobicContact CG1-CE2 4.42Å; V690-F723 HydrophobicContact CG2-CE2 4.17Å; V690-F723 HydrophobicContact CG2-CZ 4.27Å; G694-F723 WeakPolarHBondContact O-CD2 3.45Å; G694-F723 WeakPolarHBondContact O-CE2 3.46Å; S721-F723 PolarHBondContact O-N 3.29Å; S721-F723 PolarHBondContact OG-N 3.07Å; F723-F872 HydrophobicContact CB-CB 4.2Å; F723-F872 HydrophobicContact CB-CD2 3.56Å; F723-F872 HydrophobicContact CB-CE2 4.17Å; F723-F872 HydrophobicContact CB-CG 4.12Å; F723-F872 AromaticContact CD1-CD2 3.77Å; F723-F872 HydrophobicContact CD1-CD2 3.77Å; F723-F872 AromaticContact CD1-CE2 3.47Å; F723-F872 HydrophobicContact CD1-CE2 3.47Å; F723-F872 VanDerWaalsContact CD1-CE2 3.47Å; F723-F872 HydrophobicContact CD1-CZ 4.41Å; F723-F872 AromaticContact CD2-CD2 3.82Å; F723-F872 HydrophobicContact CD2-CD2 3.82Å; F723-F872 AromaticContact CD2-CE2 3.72Å; F723-F872 HydrophobicContact CD2-CE2 3.72Å; F723-F872 HydrophobicContact CD2-CG 4.25Å; F723-F872 HydrophobicContact CD2-CZ 4.1Å; F723-F872 HydrophobicContact CE1-CD2 4.39Å; F723-F872 AromaticContact CE1-CE2 3.64Å; F723-F872 HydrophobicContact CE1-CE2 3.64Å; F723-F872 HydrophobicContact CE1-CZ 4.24Å; F723-F872 HydrophobicContact CE2-CD2 4.44Å; F723-F872 AromaticContact CE2-CE2 3.89Å; F723-F872 HydrophobicContact CE2-CE2 3.89Å; F723-F872 AromaticContact CE2-CZ 3.92Å; F723-F872 HydrophobicContact CE2-CZ 3.92Å; F723-F872 AromaticContact CG-CD2 3.45Å; F723-F872 HydrophobicContact CG-CD2 3.45Å; F723-F872 VanDerWaalsContact CG-CD2 3.45Å; F723-F872 AromaticContact CG-CE2 3.52Å; F723-F872 HydrophobicContact CG-CE2 3.52Å; F723-F872 HydrophobicContact CG-CG 4.21Å; F723-F872 HydrophobicContact CG-CZ 4.35Å; F723-F872 AromaticContact CZ-CE2 3.84Å; F723-F872 HydrophobicContact CZ-CE2 3.84Å; F723-F872 AromaticContact CZ-CZ 3.99Å; F723-F872 HydrophobicContact CZ-CZ 3.99Å; F723-I884 HydrophobicContact CB-CD1 4.41Å; F723-I884 HydrophobicContact CD1-CD1 3.76Å; F723-I884 HydrophobicContact CG-CD1 4.5Å; F723-P918 HydrophobicContact CD1-CB 4.24Å; F723-P918 HydrophobicContact CD1-CG 3.41Å; F723-P918 VanDerWaalsContact CD1-CG 3.41Å; F723-P918 HydrophobicContact CE1-CB 3.9Å; F723-P918 HydrophobicContact CE1-CG 3.53Å; F723-V919 HydrophobicContact CD1-CG2 4.44Å; F723-V919 HydrophobicContact CE1-CG2 3.79Å
724	G	96.7	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	30.7	-176.1	0	0	0	0	0	114.1	S721 T722 A880 E882	S721-G724 PolarHBondContact O-N 3.23Å; T722-G724 VanDerWaalsContact C-N 3.35Å; G724-A880 WeakPolarHBondContact O-CB 3.33Å; G724-A880 PolarHBondContact O-N 3.4Å; G724-E882 VanDerWaalsContact CA-CG 3.47Å; G724-E882 WeakPolarHBondContact CA-O 3.45Å
725	V	96.8	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-129.2	137.5	-172.2	179.2	0	0	0	0	112.1	P720 S721 F872	P720-V725 CarbonylContact C-O 3.53Å; P720-V725 WeakPolarHBondContact CA-O 3.49Å; P720-V725 VanDerWaalsContact CB-O 3.3Å; P720-V725 WeakPolarHBondContact CB-O 3.44Å; S721-V725 PolarHBondContact N-O 3.18Å; S721-V725 PolarHBondContact OG-O 2.8Å; V725-F872 HydrophobicContact CG2-CB 3.99Å
726	F	97.1	Very high	96.7	Very high	7 Å²	7	22.2 Å²	22.2	3%	0.031	11%	0.11	C	C	.	.			trans	-82.8	121.5	168.2	-73	-81.6	0	0	0	110.4	T114 V115 P116 Y719 P720 A753 I854 A880	T114-F726 HydrophobicContact CG2-CD2 3.68Å; T114-F726 HydrophobicContact CG2-CE2 3.73Å; T114-F726 WeakPolarHBondContact O-CD2 3.44Å; V115-F726 HydrophobicContact CG1-CE1 4.33Å; V115-F726 HydrophobicContact CG2-CD2 4.43Å; V115-F726 HydrophobicContact CG2-CE1 4.39Å; V115-F726 HydrophobicContact CG2-CE2 3.9Å; V115-F726 HydrophobicContact CG2-CZ 3.87Å; P116-F726 HydrophobicContact CG-CB 4.32Å; Y719-F726 HydrophobicContact CD1-CD1 4.3Å; Y719-F726 HydrophobicContact CD1-CE1 4.44Å; Y719-F726 AromaticContact CE1-CD1 3.51Å; Y719-F726 HydrophobicContact CE1-CD1 3.51Å; Y719-F726 AromaticContact CE1-CE1 3.91Å; Y719-F726 HydrophobicContact CE1-CE1 3.91Å; Y719-F726 AromaticContact CZ-CD1 3.66Å; P720-F726 HydrophobicContact CB-CD1 4.01Å; P720-F726 HydrophobicContact CB-CD2 4.32Å; P720-F726 HydrophobicContact CB-CE1 4.08Å; P720-F726 HydrophobicContact CB-CE2 4.38Å; P720-F726 HydrophobicContact CB-CG 4.14Å; P720-F726 HydrophobicContact CB-CZ 4.27Å; P720-F726 HydrophobicContact CG-CE1 4.28Å; P720-F726 HydrophobicContact CG-CZ 4.19Å; F726-A753 HydrophobicContact CE2-CB 4.32Å; F726-A753 HydrophobicContact CZ-CB 3.78Å; F726-A753 WeakPolarHBondContact CZ-O 3.28Å; F726-I854 HydrophobicContact CE2-CD1 4.33Å; F726-I854 HydrophobicContact CZ-CD1 4.5Å; F726-A880 HydrophobicContact CD2-CB 3.8Å; F726-A880 HydrophobicContact CE2-CB 3.48Å; F726-A880 VanDerWaalsContact CE2-CB 3.48Å; F726-A880 HydrophobicContact CZ-CB 4.28Å
727	E	92.2	Very high	96.7	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.061	11%	0.11	C	C	.	.			trans	-83.6	123.7	174.3	-64.3	-170.3	-131.4	0	0	111.1	N695 I696 Y719 N729	N695-E727 HydrophobicContact CB-CG 4.21Å; I696-E727 WeakPolarHBondContact CG1-OE1 2.72Å; I696-E727 PolarHBondContact N-OE1 3.22Å; I696-E727 PolarHBondContact N-OE2 3.28Å; Y719-E727 HydrophobicContact CE2-CB 4.25Å; Y719-E727 PolarHBondContact OH-O 2.72Å; Y719-E727 VanDerWaalsContact OH-O 3.12Å; E727-N729 VanDerWaalsContact C-N 3.27Å; E727-N729 PolarHBondContact O-N 2.95Å
728	E	91.1	Very high	96.7	Very high	62 Å²	62	25.2 Å²	25.2	29%	0.29	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.4	-171.6	-64.6	-94.9	126.6	0	0	114.2	R875	E728-R875 HydrophobicContact CG-CB 4.06Å; E728-R875 WeakPolarHBondContact OE2-CD 3.26Å; E728-R875 IonicContact OE2-CZ 3.61Å; E728-R875 IonicContact OE2-NE 3.73Å; E728-R875 IonicContact OE2-NH1 2.7Å; E728-R875 PolarHBondContact OE2-NH1 2.75Å
729	N	91.7	Very high	96.7	Very high	77 Å²	77	32.2 Å²	32.2	41%	0.412	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	29.3	-167.4	-58.1	-14.5	0	0	0	112.5	E727 R731 D732 V733	E727-N729 VanDerWaalsContact C-N 3.27Å; E727-N729 PolarHBondContact O-N 2.95Å; N729-R731 PolarHBondContact O-N 2.93Å; N729-R731 VanDerWaalsContact O-N 3.17Å; N729-D732 HydrophobicContact CB-CB 4.31Å; N729-D732 WeakPolarHBondContact O-CB 3.32Å; N729-D732 PolarHBondContact O-N 3.18Å; N729-D732 VanDerWaalsContact O-N 3.1Å; N729-V733 PolarHBondContact O-N 3.24Å
730	I	96.8	Very high	96.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-27.7	-175.1	-162.3	64.1	0	0	0	113.3	I119 I717 Y719 V733 C734 Y763	I119-I730 HydrophobicContact CG2-CG2 3.96Å; I717-I730 HydrophobicContact CD1-CD1 3.87Å; I717-I730 HydrophobicContact CD1-CG1 4.15Å; Y719-I730 HydrophobicContact CD2-CB 4.13Å; Y719-I730 HydrophobicContact CD2-CD1 3.85Å; Y719-I730 HydrophobicContact CD2-CG1 3.63Å; Y719-I730 HydrophobicContact CD2-CG2 4.45Å; Y719-I730 HydrophobicContact CE1-CG2 4.38Å; Y719-I730 HydrophobicContact CE2-CB 3.62Å; Y719-I730 HydrophobicContact CE2-CD1 4.12Å; Y719-I730 HydrophobicContact CE2-CG1 3.7Å; Y719-I730 HydrophobicContact CE2-CG2 3.81Å; Y719-I730 HydrophobicContact CG-CG1 4.34Å; I730-V733 HydrophobicContact CD1-CB 4.45Å; I730-V733 WeakPolarHBondContact O-CB 3.47Å; I730-V733 PolarHBondContact O-N 3.49Å; I730-C734 PolarHBondContact O-N 2.95Å; I730-C734 VanDerWaalsContact O-N 3.13Å; I730-C734 PolarHBondContact O-SG 3.37Å; I730-Y763 HydrophobicContact CG1-CD2 4.48Å; I730-Y763 HydrophobicContact CG1-CE2 4.38Å; I730-Y763 HydrophobicContact CG2-CD2 3.85Å; I730-Y763 HydrophobicContact CG2-CE2 4.22Å; I730-Y763 HydrophobicContact CG2-CG 4.38Å
731	R	96.8	Very high	96.7	Very high	85 Å²	85	34 Å²	34	32%	0.321	17%	0.171	S	C	.	.	H	α-helix	trans	-64.1	-48.4	173.9	-172.3	-178.1	-63	-77.8	-2.6	111.2	S118 N729 V733 C734 D735 D762	S118-R731 PolarHBondContact O-NH2 3.14Å; N729-R731 PolarHBondContact O-N 2.93Å; N729-R731 VanDerWaalsContact O-N 3.17Å; R731-V733 PolarHBondContact O-N 3.36Å; R731-C734 WeakPolarHBondContact O-CA 3.41Å; R731-C734 WeakPolarHBondContact O-CB 3.48Å; R731-C734 PolarHBondContact O-N 2.98Å; R731-D735 VanDerWaalsContact O-CG 3.31Å; R731-D735 PolarHBondContact O-N 2.75Å; R731-D762 PolarHBondContact NH1-O 3.45Å; R731-D762 PolarHBondContact NH2-O 3.22Å
732	D	97	Very high	96.7	Very high	93 Å²	93	33.9 Å²	33.9	50%	0.497	17%	0.171	S	C	.	.	H	α-helix	trans	-58	-32.3	176.9	-49.1	18.4	0	0	0	112	N729 L736	N729-D732 HydrophobicContact CB-CB 4.31Å; N729-D732 WeakPolarHBondContact O-CB 3.32Å; N729-D732 PolarHBondContact O-N 3.18Å; N729-D732 VanDerWaalsContact O-N 3.1Å; D732-L736 WeakPolarHBondContact O-CB 3.32Å; D732-L736 PolarHBondContact O-N 3.49Å
733	V	98.1	Very high	96.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-68.8	-44.4	173.5	173.8	0	0	0	0	111.1	L698 L701 M715 I717 N729 I730 R731 I737	L698-V733 HydrophobicContact CD2-CG2 3.65Å; L701-V733 HydrophobicContact CD2-CG1 4.05Å; L701-V733 HydrophobicContact CD2-CG2 4.2Å; M715-V733 HydrophobicContact CE-CG1 3.93Å; M715-V733 HydrophobicContact SD-CG1 3.74Å; I717-V733 HydrophobicContact CG2-CG1 4.39Å; N729-V733 PolarHBondContact O-N 3.24Å; I730-V733 HydrophobicContact CD1-CB 4.45Å; I730-V733 WeakPolarHBondContact O-CB 3.47Å; I730-V733 PolarHBondContact O-N 3.49Å; R731-V733 PolarHBondContact O-N 3.36Å; V733-I737 WeakPolarHBondContact O-CG1 3.27Å; V733-I737 PolarHBondContact O-N 3.09Å
734	C	98.6	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-51.4	174.9	-60.3	0	0	0	0	111.6	I730 R731 L736 I737 H738 V744 Y763	I730-C734 PolarHBondContact O-N 2.95Å; I730-C734 VanDerWaalsContact O-N 3.13Å; I730-C734 PolarHBondContact O-SG 3.37Å; R731-C734 WeakPolarHBondContact O-CA 3.41Å; R731-C734 WeakPolarHBondContact O-CB 3.48Å; R731-C734 PolarHBondContact O-N 2.98Å; C734-L736 VanDerWaalsContact C-N 3.33Å; C734-L736 PolarHBondContact O-N 3.35Å; C734-I737 PolarHBondContact O-N 3.23Å; C734-H738 PolarHBondContact O-N 3.32Å; C734-V744 HydrophobicContact CB-CG2 4.03Å; C734-Y763 PolarHBondContact SG-O 3.35Å
735	D	98.5	Very high	97.1	Very high	70 Å²	70	34.2 Å²	34.2	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-59.2	-43.8	-177.1	-65.2	-17.9	0	0	0	110.5	R731 I737 H738 E739	R731-D735 VanDerWaalsContact O-CG 3.31Å; R731-D735 PolarHBondContact O-N 2.75Å; D735-I737 VanDerWaalsContact C-N 3.28Å; D735-I737 PolarHBondContact O-N 2.97Å; D735-H738 PolarHBondContact O-N 2.96Å; D735-E739 WeakPolarHBondContact O-CB 3.19Å; D735-E739 WeakPolarHBondContact O-CG 3.49Å; D735-E739 PolarHBondContact O-N 3.02Å
736	L	98.6	Very high	97.2	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-34.3	174.8	176.6	64.5	0	0	0	113.3	L701 K702 V705 D732 C734 N740	L701-L736 HydrophobicContact CD2-CD2 3.95Å; L701-L736 HydrophobicContact CG-CD2 4.04Å; K702-L736 HydrophobicContact CG-CD1 4.43Å; K702-L736 HydrophobicContact CG-CD2 3.66Å; V705-L736 HydrophobicContact CG1-CD1 4.15Å; V705-L736 HydrophobicContact CG1-CG 4.27Å; V705-L736 HydrophobicContact CG2-CD2 4.32Å; V705-L736 HydrophobicContact CG2-CG 4.31Å; D732-L736 WeakPolarHBondContact O-CB 3.32Å; D732-L736 PolarHBondContact O-N 3.49Å; C734-L736 VanDerWaalsContact C-N 3.33Å; C734-L736 PolarHBondContact O-N 3.35Å; L736-N740 PolarHBondContact O-ND2 3.22Å
737	I	98.7	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-76.5	-40.4	177.3	-64.9	-63.1	0	0	0	110.9	L665 V705 L712 M715 V733 C734 D735 N740 G741 G742 V744	L665-I737 HydrophobicContact CD1-CD1 3.91Å; V705-I737 HydrophobicContact CG2-CD1 3.73Å; L712-I737 HydrophobicContact CD2-CD1 4.09Å; M715-I737 HydrophobicContact CB-CD1 3.78Å; M715-I737 HydrophobicContact CB-CG1 3.77Å; M715-I737 HydrophobicContact CB-CG2 4.3Å; M715-I737 HydrophobicContact CG-CD1 4.4Å; M715-I737 HydrophobicContact CG-CG1 4.43Å; M715-I737 HydrophobicContact SD-CD1 3.84Å; M715-I737 HydrophobicContact SD-CG1 3.8Å; V733-I737 WeakPolarHBondContact O-CG1 3.27Å; V733-I737 PolarHBondContact O-N 3.09Å; C734-I737 PolarHBondContact O-N 3.23Å; D735-I737 VanDerWaalsContact C-N 3.28Å; D735-I737 PolarHBondContact O-N 2.97Å; I737-N740 PolarHBondContact O-N 3.42Å; I737-G741 PolarHBondContact O-N 3.28Å; I737-G742 PolarHBondContact O-N 3.22Å; I737-V744 HydrophobicContact CB-CG2 4Å; I737-V744 HydrophobicContact CG2-CG2 3.98Å
738	H	98.8	Very high	97.5	Very high	65 Å²	65	33.4 Å²	33.4	30%	0.301	17%	0.169	S	C	.	.	H	α-helix	trans	-66	-44.1	177.2	-70.8	169.2	0	0	0	112.8	C734 D735 N740 G741 G764 D766	C734-H738 PolarHBondContact O-N 3.32Å; D735-H738 PolarHBondContact O-N 2.96Å; H738-N740 PolarHBondContact O-N 3.46Å; H738-N740 VanDerWaalsContact O-N 3.09Å; H738-G741 PolarHBondContact O-N 3.44Å; H738-G764 PolarHBondContact CE1-O 3.4Å; H738-D766 IonicContact CD2-OD2 3.79Å; H738-D766 IonicContact CE1-OD1 2.77Å; H738-D766 IonicContact CE1-OD2 3.86Å; H738-D766 IonicContact NE2-OD1 3.24Å; H738-D766 PolarHBondContact NE2-OD1 3.08Å; H738-D766 IonicContact NE2-OD2 2.78Å; H738-D766 PolarHBondContact NE2-OD2 3.42Å
739	E	98.3	Very high	97.8	Very high	159 Å²	159	30.7 Å²	30.7	74%	0.743	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	175.2	-77.3	-176.6	168	0	0	113.2	D735	D735-E739 WeakPolarHBondContact O-CB 3.19Å; D735-E739 WeakPolarHBondContact O-CG 3.49Å; D735-E739 PolarHBondContact O-N 3.02Å
740	N	98.3	Very high	98.1	Very high	14 Å²	14	27 Å²	27	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.6	-179.2	-66.6	-82.7	0	0	0	112.9	R661 V705 K709 L712 L736 I737 H738	R661-N740 PolarHBondContact NH1-O 3.13Å; V705-N740 HydrophobicContact CG1-CB 3.76Å; V705-N740 VanDerWaalsContact CG1-CG 3.47Å; V705-N740 WeakPolarHBondContact CG1-ND2 3.41Å; K709-N740 WeakPolarHBondContact CE-OD1 3.35Å; K709-N740 HydrophobicContact CG-CB 4.27Å; K709-N740 WeakPolarHBondContact CG-OD1 3.48Å; K709-N740 PolarHBondContact NZ-OD1 3.22Å; L712-N740 HydrophobicContact CD2-CB 3.98Å; L736-N740 PolarHBondContact O-ND2 3.22Å; I737-N740 PolarHBondContact O-N 3.42Å; H738-N740 PolarHBondContact O-N 3.46Å; H738-N740 VanDerWaalsContact O-N 3.09Å
741	G	96.6	Very high	98.2	Very high	25 Å²	25	27 Å²	27	26%	0.258	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	16	173.6	0	0	0	0	0	115.2	R661 I737 H738	R661-G741 PolarHBondContact NH1-O 3.35Å; I737-G741 PolarHBondContact O-N 3.28Å; H738-G741 PolarHBondContact O-N 3.44Å
742	G	98.3	Very high	98.3	Very high	1 Å²	1	23 Å²	23	1%	0.01	12%	0.122	C	C	.	.			trans	-83.9	-179.8	169.1	0	0	0	0	0	112.6	A713 I737	A713-G742 CarbonylContact O-C 3.46Å; A713-G742 WeakPolarHBondContact O-CA 3.41Å; I737-G742 PolarHBondContact O-N 3.22Å
743	Q	98.8	Very high	98.4	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.9	173.2	-65.2	-72.1	-95	0	0	111.1	I649 Y652 A713 A714 M715 D766 H795	I649-Q743 HydrophobicContact CB-CB 4.44Å; I649-Q743 HydrophobicContact CD1-CB 3.77Å; I649-Q743 HydrophobicContact CG1-CB 3.76Å; I649-Q743 HydrophobicContact CG1-CG 4.21Å; I649-Q743 HydrophobicContact CG2-CB 3.84Å; I649-Q743 HydrophobicContact CG2-CG 3.97Å; Y652-Q743 HydrophobicContact CD1-CG 4.29Å; Y652-Q743 HydrophobicContact CE1-CG 4.26Å; A713-Q743 PolarHBondContact O-N 3.18Å; A714-Q743 CarbonylContact C-O 3.48Å; A714-Q743 WeakPolarHBondContact CA-O 3.28Å; M715-Q743 PolarHBondContact N-O 3.18Å; Q743-D766 WeakPolarHBondContact CA-OD2 3.49Å; Q743-D766 PolarHBondContact NE2-OD2 3.03Å; Q743-H795 PolarHBondContact OE1-CD2 2.94Å; Q743-H795 PolarHBondContact OE1-NE2 2.82Å
744	V	98.9	Very high	98.4	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	101.4	-175	-179.6	0	0	0	0	109.6	I717 C734 I737 S765 D766 V767	I717-V744 HydrophobicContact CD1-CG1 3.73Å; I717-V744 HydrophobicContact CG1-CG1 4.11Å; C734-V744 HydrophobicContact CB-CG2 4.03Å; I737-V744 HydrophobicContact CB-CG2 4Å; I737-V744 HydrophobicContact CG2-CG2 3.98Å; V744-S765 PolarHBondContact O-OG 3.13Å; V744-D766 PolarHBondContact N-OD2 2.84Å; V744-D766 PolarHBondContact O-N 2.71Å; V744-V767 PolarHBondContact O-N 3.13Å
745	Y	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124	167.7	-176.7	-78.7	0	0	0	109.4	E642 L646 M715 M716 I717 D747 V767 H769	E642-Y745 VanDerWaalsContact CA-OH 3.26Å; E642-Y745 WeakPolarHBondContact CA-OH 3.33Å; E642-Y745 HydrophobicContact CG-CE1 4.17Å; E642-Y745 PolarHBondContact N-OH 3.47Å; L646-Y745 HydrophobicContact CD2-CD2 4.26Å; L646-Y745 HydrophobicContact CD2-CG 4.26Å; M715-Y745 PolarHBondContact O-N 2.99Å; M716-Y745 WeakPolarHBondContact CA-O 3.38Å; M716-Y745 HydrophobicContact CB-CD1 4.34Å; M716-Y745 HydrophobicContact CE-CD1 3.53Å; M716-Y745 HydrophobicContact CE-CE1 3.69Å; M716-Y745 HydrophobicContact CE-CG 4.14Å; M716-Y745 HydrophobicContact CG-CD1 4.03Å; M716-Y745 HydrophobicContact CG-CG 4.26Å; I717-Y745 WeakPolarHBondContact CG1-O 3.37Å; I717-Y745 PolarHBondContact N-O 3.35Å; Y745-D747 HydrophobicContact CE1-CB 4.29Å; Y745-V767 WeakPolarHBondContact CA-O 3.38Å; Y745-V767 HydrophobicContact CD2-CG1 3.81Å; Y745-V767 HydrophobicContact CD2-CG2 4.22Å; Y745-V767 HydrophobicContact CE2-CG2 4.14Å; Y745-H769 AromaticContact CZ-ND1 3.99Å; Y745-H769 VanDerWaalsContact OH-CB 3.31Å; Y745-H769 WeakPolarHBondContact OH-CB 3.33Å; Y745-H769 PolarHBondContact OH-N 3.35Å; Y745-H769 PolarHBondContact OH-ND1 3.24Å
746	L	98.8	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.6	174.4	-173.3	153.5	0	0	0	110.9	I717 G748 P760 Y763 S765 V767 S768	I717-L746 HydrophobicContact CD1-CB 4.36Å; I717-L746 HydrophobicContact CD1-CD1 3.88Å; I717-L746 HydrophobicContact CD1-CG 4.31Å; I717-L746 HydrophobicContact CG1-CB 4.04Å; I717-L746 HydrophobicContact CG1-CD1 4.26Å; I717-L746 HydrophobicContact CG1-CG 4.13Å; I717-L746 CarbonylContact O-C 3.45Å; I717-L746 WeakPolarHBondContact O-CA 3.47Å; L746-G748 PolarHBondContact O-N 3.28Å; L746-P760 HydrophobicContact CD1-CB 4.17Å; L746-P760 HydrophobicContact CD1-CG 4.43Å; L746-P760 HydrophobicContact CD2-CB 4.24Å; L746-P760 HydrophobicContact CD2-CG 3.91Å; L746-Y763 HydrophobicContact CD1-CE2 3.54Å; L746-Y763 VanDerWaalsContact CD1-OH 3.31Å; L746-Y763 WeakPolarHBondContact CD1-OH 3.16Å; L746-S765 WeakPolarHBondContact CB-OG 3.45Å; L746-S765 PolarHBondContact N-OG 2.74Å; L746-V767 PolarHBondContact N-O 2.95Å; L746-S768 WeakPolarHBondContact O-CA 3.21Å; L746-S768 WeakPolarHBondContact O-CB 3.31Å; L746-S768 PolarHBondContact O-OG 3.1Å
747	D	98.6	Very high	98.5	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	107.6	171.8	178.5	-2.9	0	0	0	110.2	N674 I717 T718 Y745 A749 H769	N674-D747 PolarHBondContact ND2-OD2 3.25Å; I717-D747 WeakPolarHBondContact O-CB 3.5Å; I717-D747 PolarHBondContact O-N 3.48Å; T718-D747 HydrophobicContact CG2-CB 4.11Å; T718-D747 PolarHBondContact OG1-OD2 2.99Å; Y745-D747 HydrophobicContact CE1-CB 4.29Å; D747-A749 VanDerWaalsContact C-N 3.29Å; D747-A749 PolarHBondContact O-N 3.37Å; D747-A749 VanDerWaalsContact OD1-CB 3.25Å; D747-A749 WeakPolarHBondContact OD1-CB 3.37Å; D747-A749 PolarHBondContact OD1-N 2.65Å; D747-A749 VanDerWaalsContact OD1-N 3.13Å; D747-H769 IonicContact OD1-CE1 2.75Å; D747-H769 PolarHBondContact OD1-CE1 3.12Å; D747-H769 IonicContact OD1-ND1 3.6Å; D747-H769 IonicContact OD1-NE2 2.7Å
748	G	98.1	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-87.8	16.3	-176.6	0	0	0	0	0	114.4	L746 N750 M751 H769	L746-G748 PolarHBondContact O-N 3.28Å; G748-N750 PolarHBondContact O-N 3.31Å; G748-M751 VanDerWaalsContact O-CB 3.31Å; G748-M751 WeakPolarHBondContact O-CB 3.44Å; G748-M751 WeakPolarHBondContact O-CG 3.16Å; G748-M751 PolarHBondContact O-N 2.89Å; G748-H769 WeakPolarHBondContact CA-O 3.32Å; G748-H769 PolarHBondContact N-O 3.18Å
749	A	96.9	Very high	98.4	Very high	4 Å²	4	13 Å²	13	3%	0.033	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-53.2	-39.1	172.2	0	0	0	0	0	113.2	D747 M751 N771	D747-A749 VanDerWaalsContact C-N 3.29Å; D747-A749 PolarHBondContact O-N 3.37Å; D747-A749 VanDerWaalsContact OD1-CB 3.25Å; D747-A749 WeakPolarHBondContact OD1-CB 3.37Å; D747-A749 PolarHBondContact OD1-N 2.65Å; D747-A749 VanDerWaalsContact OD1-N 3.13Å; A749-M751 VanDerWaalsContact C-N 3.32Å; A749-M751 PolarHBondContact O-N 3.36Å; A749-N771 WeakPolarHBondContact CA-OD1 3.45Å; A749-N771 WeakPolarHBondContact CB-OD1 3.47Å
750	N	98.6	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-92.4	19.6	-176.7	-72.1	11.5	0	0	0	113	S577 T718 P720 S721 G748 N752 A753 H881 E882	S577-N750 PolarHBondContact OG-OD1 3.47Å; T718-N750 HydrophobicContact CG2-CB 4.42Å; P720-N750 HydrophobicContact CG-CB 4.16Å; P720-N750 PolarHBondContact O-ND2 3.28Å; S721-N750 PolarHBondContact O-ND2 2.95Å; G748-N750 PolarHBondContact O-N 3.31Å; N750-N752 PolarHBondContact O-N 3Å; N750-A753 PolarHBondContact O-N 2.94Å; N750-A753 VanDerWaalsContact O-N 3.16Å; N750-H881 VanDerWaalsContact CB-NE2 3.33Å; N750-H881 WeakPolarHBondContact CB-NE2 3.2Å; N750-H881 PolarHBondContact ND2-NE2 3.06Å; N750-E882 PolarHBondContact ND2-OE1 3.22Å
751	M	98.8	Very high	98.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-61.3	-13.1	178.6	-81.6	-72.1	-58.9	0	0	114.3	T626 G748 A749 A753 Q754 V755 P760 L770 T775	T626-M751 HydrophobicContact CG2-CE 4.16Å; G748-M751 VanDerWaalsContact O-CB 3.31Å; G748-M751 WeakPolarHBondContact O-CB 3.44Å; G748-M751 WeakPolarHBondContact O-CG 3.16Å; G748-M751 PolarHBondContact O-N 2.89Å; A749-M751 VanDerWaalsContact C-N 3.32Å; A749-M751 PolarHBondContact O-N 3.36Å; M751-A753 PolarHBondContact O-N 3.38Å; M751-A753 VanDerWaalsContact O-N 3.14Å; M751-Q754 HydrophobicContact CE-CB 3.98Å; M751-Q754 PolarHBondContact O-N 3.46Å; M751-Q754 HydrophobicContact SD-CB 3.72Å; M751-Q754 VanDerWaalsContact SD-CD 3.58Å; M751-Q754 HydrophobicContact SD-CG 4Å; M751-V755 HydrophobicContact CE-CG2 3.94Å; M751-V755 PolarHBondContact O-N 3.34Å; M751-P760 HydrophobicContact SD-CG 3.74Å; M751-L770 HydrophobicContact CG-CD2 3.74Å; M751-T775 HydrophobicContact CB-CG2 4.1Å
752	N	98.8	Very high	98.6	Very high	2 Å²	2	7 Å²	7	1%	0.011	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-66.1	-9.4	173.8	-148.1	56	0	0	0	114	T579 K581 N750 T775 T850 E929	T579-N752 HydrophobicContact CG2-CB 3.92Å; T579-N752 WeakPolarHBondContact CG2-ND2 3.42Å; K581-N752 WeakPolarHBondContact CE-OD1 3.23Å; K581-N752 PolarHBondContact NZ-OD1 3.22Å; N750-N752 PolarHBondContact O-N 3Å; N752-T775 HydrophobicContact CB-CG2 4.19Å; N752-T850 WeakPolarHBondContact O-CG2 3.41Å; N752-E929 PolarHBondContact ND2-OE2 2.75Å
753	A	98.8	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-101.1	-3.5	168.4	0	0	0	0	0	113.5	P720 F726 N750 M751 T850 I854 A880 H881	P720-A753 HydrophobicContact CG-CB 3.65Å; F726-A753 HydrophobicContact CE2-CB 4.32Å; F726-A753 HydrophobicContact CZ-CB 3.78Å; F726-A753 WeakPolarHBondContact CZ-O 3.28Å; N750-A753 PolarHBondContact O-N 2.94Å; N750-A753 VanDerWaalsContact O-N 3.16Å; M751-A753 PolarHBondContact O-N 3.38Å; M751-A753 VanDerWaalsContact O-N 3.14Å; A753-T850 WeakPolarHBondContact O-CG2 3.16Å; A753-I854 HydrophobicContact CB-CD1 4.38Å; A753-I854 HydrophobicContact CB-CG1 4.44Å; A753-A880 HydrophobicContact CB-CB 4.24Å; A753-H881 HydrophobicContact CB-CB 3.98Å
754	Q	98.9	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-37.4	-174.8	-64	-157	52.1	0	0	114.6	Y719 M751 G756 L757 C758 Y763	Y719-Q754 PolarHBondContact O-NE2 3.26Å; M751-Q754 HydrophobicContact CE-CB 3.98Å; M751-Q754 PolarHBondContact O-N 3.46Å; M751-Q754 HydrophobicContact SD-CB 3.72Å; M751-Q754 VanDerWaalsContact SD-CD 3.58Å; M751-Q754 HydrophobicContact SD-CG 4Å; Q754-G756 PolarHBondContact O-N 3.24Å; Q754-G756 VanDerWaalsContact O-N 3.1Å; Q754-L757 PolarHBondContact O-N 3.02Å; Q754-C758 PolarHBondContact O-N 3.37Å; Q754-C758 PolarHBondContact OE1-SG 3.23Å; Q754-Y763 PolarHBondContact NE2-OH 3.13Å; Q754-Y763 PolarHBondContact OE1-OH 2.97Å
755	V	98.8	Very high	98.5	Very high	3 Å²	3	7 Å²	7	2%	0.018	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	115.9	-166.2	170.4	0	0	0	0	112.2	L625 M751 L757 T775 F776 L846 T850	L625-V755 HydrophobicContact CD1-CG1 4.17Å; L625-V755 HydrophobicContact CD2-CG1 4.19Å; M751-V755 HydrophobicContact CE-CG2 3.94Å; M751-V755 PolarHBondContact O-N 3.34Å; V755-L757 VanDerWaalsContact C-N 3.29Å; V755-L757 PolarHBondContact O-N 2.74Å; V755-T775 HydrophobicContact CG2-CG2 4.23Å; V755-F776 HydrophobicContact CG2-CE1 4.32Å; V755-F776 HydrophobicContact CG2-CZ 4.03Å; V755-L846 HydrophobicContact CG1-CB 3.82Å; V755-T850 WeakPolarHBondContact CB-OG1 3.35Å; V755-T850 VanDerWaalsContact O-CB 3.25Å; V755-T850 WeakPolarHBondContact O-CB 3.06Å; V755-T850 PolarHBondContact O-OG1 3.24Å
756	G	98.4	Very high	98.5	Very high	8 Å²	8	7.5 Å²	7.5	8%	0.082	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-11	-178.1	0	0	0	0	0	115.6	I121 Q754	I121-G756 WeakPolarHBondContact CG2-O 3.23Å; Q754-G756 PolarHBondContact O-N 3.24Å; Q754-G756 VanDerWaalsContact O-N 3.1Å
757	L	98.6	Very high	98.5	Very high	15 Å²	15	7.5 Å²	7.5	8%	0.079	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-42	178.4	-57.9	-174.5	0	0	0	112.8	I111 V115 R120 I121 Q754 V755 T847 T850 E851 I854	I111-L757 HydrophobicContact CD1-CD1 3.82Å; I111-L757 HydrophobicContact CG1-CD1 4.26Å; I111-L757 HydrophobicContact CG2-CD1 4.11Å; I111-L757 HydrophobicContact CG2-CD2 4.15Å; V115-L757 HydrophobicContact CG2-CD1 4.29Å; R120-L757 CarbonylContact C-O 3.54Å; R120-L757 VanDerWaalsContact CA-O 3.31Å; R120-L757 WeakPolarHBondContact CA-O 3.35Å; I121-L757 PolarHBondContact N-O 3.4Å; Q754-L757 PolarHBondContact O-N 3.02Å; V755-L757 VanDerWaalsContact C-N 3.29Å; V755-L757 PolarHBondContact O-N 2.74Å; L757-T847 HydrophobicContact CD2-CG2 3.85Å; L757-T850 HydrophobicContact CD1-CG2 3.59Å; L757-T850 HydrophobicContact CG-CG2 3.88Å; L757-E851 HydrophobicContact CD2-CG 4.09Å; L757-I854 HydrophobicContact CD1-CD1 3.87Å
758	C	98.6	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	-151.4	168.6	175.6	60.7	0	0	0	0	110.3	I119 Q754 Y763	I119-C758 HydrophobicContact CB-CB 4.49Å; I119-C758 HydrophobicContact CD1-CB 4.06Å; I119-C758 HydrophobicContact CG1-CB 4.2Å; I119-C758 VanDerWaalsContact O-CB 3.24Å; I119-C758 WeakPolarHBondContact O-CB 3.39Å; Q754-C758 PolarHBondContact O-N 3.37Å; Q754-C758 PolarHBondContact OE1-SG 3.23Å; C758-Y763 HydrophobicContact CB-CE1 4.34Å
759	R	98.8	Very high	98.6	Very high	21 Å²	21	7.5 Å²	7.5	8%	0.079	5%	0.047	C	C	.	.			trans	-142.6	124.7	-173.1	-59.3	-161.6	-54.5	161.5	11	111.7	I121 E624 T626 G761 D762 Y763	I121-R759 HydrophobicContact CD1-CG 4.36Å; E624-R759 WeakPolarHBondContact O-CD 3.39Å; E624-R759 PolarHBondContact O-NH1 2.88Å; E624-R759 IonicContact OE2-NH1 3.84Å; E624-R759 PolarHBondContact OE2-NH1 2.78Å; T626-R759 CarbonylContact O-C 3.59Å; R759-G761 VanDerWaalsContact C-N 3.27Å; R759-G761 PolarHBondContact O-N 3.14Å; R759-G761 VanDerWaalsContact O-N 3.13Å; R759-D762 HydrophobicContact CB-CB 4.33Å; R759-D762 IonicContact CZ-OD1 2.81Å; R759-D762 IonicContact CZ-OD2 2.74Å; R759-D762 VanDerWaalsContact CZ-OD2 3.26Å; R759-D762 IonicContact NE-OD1 2.89Å; R759-D762 IonicContact NE-OD2 2.7Å; R759-D762 PolarHBondContact NE-OD2 3.14Å; R759-D762 VanDerWaalsContact NH2-CG 3.29Å; R759-D762 IonicContact NH2-OD1 3.26Å; R759-D762 PolarHBondContact NH2-OD1 3.03Å; R759-D762 IonicContact NH2-OD2 3.16Å; R759-D762 PolarHBondContact NH2-OD2 3.48Å; R759-D762 PolarHBondContact O-N 2.82Å; R759-Y763 WeakPolarHBondContact O-CD1 3.29Å; R759-Y763 VanDerWaalsContact O-CE1 3.26Å; R759-Y763 WeakPolarHBondContact O-CE1 3.44Å
760	P	98.6	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-46.5	-43.5	-178.7	-34	38.3	0	0	0	115.5	T626 Y628 L746 M751 D762 Y763 G764 S765	T626-P760 WeakPolarHBondContact O-CD 3.17Å; Y628-P760 HydrophobicContact CE2-CB 4.13Å; Y628-P760 WeakPolarHBondContact OH-CB 3.48Å; L746-P760 HydrophobicContact CD1-CB 4.17Å; L746-P760 HydrophobicContact CD1-CG 4.43Å; L746-P760 HydrophobicContact CD2-CB 4.24Å; L746-P760 HydrophobicContact CD2-CG 3.91Å; M751-P760 HydrophobicContact SD-CG 3.74Å; P760-D762 VanDerWaalsContact C-N 3.27Å; P760-D762 PolarHBondContact O-N 3.19Å; P760-Y763 PolarHBondContact O-N 3.09Å; P760-G764 PolarHBondContact O-N 2.82Å; P760-S765 PolarHBondContact O-N 3.43Å; P760-S765 VanDerWaalsContact O-N 3.09Å
761	G	98.4	Very high	98.6	Very high	10 Å²	10	7.7 Å²	7.7	10%	0.103	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-72.9	-10.1	179.9	0	0	0	0	0	115.5	T626 R759 K793	T626-G761 PolarHBondContact O-N 2.86Å; R759-G761 VanDerWaalsContact C-N 3.27Å; R759-G761 PolarHBondContact O-N 3.14Å; R759-G761 VanDerWaalsContact O-N 3.13Å; G761-K793 VanDerWaalsContact O-CE 3.27Å; G761-K793 WeakPolarHBondContact O-CE 3.38Å; G761-K793 PolarHBondContact O-NZ 3.45Å
762	D	98.5	Very high	98.7	Very high	62 Å²	62	7.7 Å²	7.7	33%	0.332	5%	0.048	S	C	.	.	G	3₁₀ helix	trans	-95.3	-12.4	177.8	-65.6	-12.2	0	0	0	112.5	R731 R759 P760	R731-D762 PolarHBondContact NH1-O 3.45Å; R731-D762 PolarHBondContact NH2-O 3.22Å; R759-D762 HydrophobicContact CB-CB 4.33Å; R759-D762 IonicContact CZ-OD1 2.81Å; R759-D762 IonicContact CZ-OD2 2.74Å; R759-D762 VanDerWaalsContact CZ-OD2 3.26Å; R759-D762 IonicContact NE-OD1 2.89Å; R759-D762 IonicContact NE-OD2 2.7Å; R759-D762 PolarHBondContact NE-OD2 3.14Å; R759-D762 VanDerWaalsContact NH2-CG 3.29Å; R759-D762 IonicContact NH2-OD1 3.26Å; R759-D762 PolarHBondContact NH2-OD1 3.03Å; R759-D762 IonicContact NH2-OD2 3.16Å; R759-D762 PolarHBondContact NH2-OD2 3.48Å; R759-D762 PolarHBondContact O-N 2.82Å; P760-D762 VanDerWaalsContact C-N 3.27Å; P760-D762 PolarHBondContact O-N 3.19Å
763	Y	98.1	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	15.6	178.2	62.6	-105.4	0	0	0	115.3	I119 Y719 I730 C734 L746 Q754 C758 R759 P760	I119-Y763 HydrophobicContact CB-CD1 3.87Å; I119-Y763 HydrophobicContact CB-CG 4.23Å; I119-Y763 HydrophobicContact CD1-CD1 4.39Å; I119-Y763 HydrophobicContact CD1-CE1 4.4Å; I119-Y763 HydrophobicContact CG2-CD1 4.06Å; I119-Y763 HydrophobicContact CG2-CG 3.89Å; Y719-Y763 HydrophobicContact CD1-CE1 4.49Å; Y719-Y763 HydrophobicContact CD1-CE2 4.23Å; Y719-Y763 AromaticContact CD1-CZ 3.76Å; Y719-Y763 VanDerWaalsContact CD1-OH 3.29Å; Y719-Y763 WeakPolarHBondContact CD1-OH 3.11Å; Y719-Y763 HydrophobicContact CG-CE2 4.5Å; I730-Y763 HydrophobicContact CG1-CD2 4.48Å; I730-Y763 HydrophobicContact CG1-CE2 4.38Å; I730-Y763 HydrophobicContact CG2-CD2 3.85Å; I730-Y763 HydrophobicContact CG2-CE2 4.22Å; I730-Y763 HydrophobicContact CG2-CG 4.38Å; C734-Y763 PolarHBondContact SG-O 3.35Å; L746-Y763 HydrophobicContact CD1-CE2 3.54Å; L746-Y763 VanDerWaalsContact CD1-OH 3.31Å; L746-Y763 WeakPolarHBondContact CD1-OH 3.16Å; Q754-Y763 PolarHBondContact NE2-OH 3.13Å; Q754-Y763 PolarHBondContact OE1-OH 2.97Å; C758-Y763 HydrophobicContact CB-CE1 4.34Å; R759-Y763 WeakPolarHBondContact O-CD1 3.29Å; R759-Y763 VanDerWaalsContact O-CE1 3.26Å; R759-Y763 WeakPolarHBondContact O-CE1 3.44Å; P760-Y763 PolarHBondContact O-N 3.09Å
764	G	98	Very high	98.6	Very high	18 Å²	18	8.3 Å²	8.3	19%	0.186	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.9	7.8	161.9	0	0	0	0	0	116.5	H738 P760	H738-G764 PolarHBondContact CE1-O 3.4Å; P760-G764 PolarHBondContact O-N 2.82Å
765	S	98.8	Very high	98.6	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.007	5%	0.051	C	C	.	.			trans	-78.8	139.7	171.8	-170.1	0	0	0	0	112.4	Y628 V744 L746 P760 V767	Y628-S765 WeakPolarHBondContact CE1-O 3.49Å; Y628-S765 VanDerWaalsContact OH-CB 3.28Å; Y628-S765 WeakPolarHBondContact OH-CB 3.48Å; Y628-S765 PolarHBondContact OH-OG 2.95Å; V744-S765 PolarHBondContact O-OG 3.13Å; L746-S765 WeakPolarHBondContact CB-OG 3.45Å; L746-S765 PolarHBondContact N-OG 2.74Å; P760-S765 PolarHBondContact O-N 3.43Å; P760-S765 VanDerWaalsContact O-N 3.09Å; S765-V767 PolarHBondContact OG-O 2.74Å
766	D	98.9	Very high	98.7	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.053	5%	0.05	C	C	.	.	S	Bend	trans	-88.7	-30.9	177.3	-62.1	-66.1	0	0	0	112.6	H738 Q743 V744 V792 K793 H795 L796	H738-D766 IonicContact CD2-OD2 3.79Å; H738-D766 IonicContact CE1-OD1 2.77Å; H738-D766 IonicContact CE1-OD2 3.86Å; H738-D766 IonicContact NE2-OD1 3.24Å; H738-D766 PolarHBondContact NE2-OD1 3.08Å; H738-D766 IonicContact NE2-OD2 2.78Å; H738-D766 PolarHBondContact NE2-OD2 3.42Å; Q743-D766 WeakPolarHBondContact CA-OD2 3.49Å; Q743-D766 PolarHBondContact NE2-OD2 3.03Å; V744-D766 PolarHBondContact N-OD2 2.84Å; V744-D766 PolarHBondContact O-N 2.71Å; D766-V792 WeakPolarHBondContact O-CA 3.49Å; D766-K793 PolarHBondContact O-N 1.98Å; D766-H795 IonicContact OD1-CE1 2.68Å; D766-H795 PolarHBondContact OD1-CE1 3.26Å; D766-H795 IonicContact OD1-NE2 3.52Å; D766-H795 PolarHBondContact OD1-NE2 2.76Å; D766-L796 HydrophobicContact CB-CD1 3.87Å
767	V	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	138.7	-175.5	47.6	0	0	0	0	112.2	I649 V744 Y745 L746 S765 I790 G791 V792 L796	I649-V767 HydrophobicContact CD1-CG1 3.66Å; I649-V767 HydrophobicContact CG1-CG1 4.09Å; V744-V767 PolarHBondContact O-N 3.13Å; Y745-V767 WeakPolarHBondContact CA-O 3.38Å; Y745-V767 HydrophobicContact CD2-CG1 3.81Å; Y745-V767 HydrophobicContact CD2-CG2 4.22Å; Y745-V767 HydrophobicContact CE2-CG2 4.14Å; L746-V767 PolarHBondContact N-O 2.95Å; S765-V767 PolarHBondContact OG-O 2.74Å; V767-I790 HydrophobicContact CG2-CB 4.43Å; V767-G791 VanDerWaalsContact CA-O 3.3Å; V767-G791 WeakPolarHBondContact CA-O 3.19Å; V767-V792 HydrophobicContact CB-CG1 4.02Å; V767-V792 HydrophobicContact CG2-CG1 3.76Å; V767-L796 HydrophobicContact CB-CD1 3.95Å; V767-L796 HydrophobicContact CG1-CD1 3.83Å
768	S	98.9	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	167.7	-59.4	0	0	0	0	111.8	Y628 L746 I790 G791	Y628-S768 PolarHBondContact OH-N 3.34Å; Y628-S768 PolarHBondContact OH-OG 3.31Å; L746-S768 WeakPolarHBondContact O-CA 3.21Å; L746-S768 WeakPolarHBondContact O-CB 3.31Å; L746-S768 PolarHBondContact O-OG 3.1Å; S768-I790 CarbonylContact O-C 3.43Å; S768-I790 WeakPolarHBondContact O-CA 3.12Å; S768-G791 PolarHBondContact N-O 3.34Å; S768-G791 PolarHBondContact O-N 3.27Å
769	H	98.8	Very high	98.7	Very high	3 Å²	3	7.4 Å²	7.4	1%	0.014	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	157.6	153.7	86.1	-93	0	0	0	110.7	G638 E642 Y745 D747 G748 N771 P789 I790	G638-H769 WeakPolarHBondContact CA-CD2 3.34Å; G638-H769 VanDerWaalsContact CA-NE2 3.29Å; G638-H769 WeakPolarHBondContact CA-NE2 3.27Å; E642-H769 IonicContact OE1-CE1 2.66Å; Y745-H769 AromaticContact CZ-ND1 3.99Å; Y745-H769 VanDerWaalsContact OH-CB 3.31Å; Y745-H769 WeakPolarHBondContact OH-CB 3.33Å; Y745-H769 PolarHBondContact OH-N 3.35Å; Y745-H769 PolarHBondContact OH-ND1 3.24Å; D747-H769 IonicContact OD1-CE1 2.75Å; D747-H769 PolarHBondContact OD1-CE1 3.12Å; D747-H769 IonicContact OD1-ND1 3.6Å; D747-H769 IonicContact OD1-NE2 2.7Å; G748-H769 WeakPolarHBondContact CA-O 3.32Å; G748-H769 PolarHBondContact N-O 3.18Å; H769-N771 PolarHBondContact NE2-OD1 2.9Å; H769-P789 CarbonylContact C-O 3.54Å; H769-P789 WeakPolarHBondContact CA-O 3.15Å; H769-I790 HydrophobicContact CB-CG2 4.05Å
770	L	98.8	Very high	98.7	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.041	C	C	.	.			trans	-121.6	127.3	170.9	-58	175.6	0	0	0	110.1	L622 T626 M751 L772 F776 G788 P789	L622-L770 HydrophobicContact CB-CD1 4.37Å; L622-L770 HydrophobicContact CD1-CD1 4.3Å; L622-L770 HydrophobicContact CD2-CD1 3.86Å; L622-L770 HydrophobicContact CG-CD1 4.4Å; T626-L770 HydrophobicContact CG2-CD1 3.93Å; T626-L770 HydrophobicContact CG2-CD2 3.9Å; T626-L770 HydrophobicContact CG2-CG 4.41Å; M751-L770 HydrophobicContact CG-CD2 3.74Å; L770-L772 HydrophobicContact CB-CD2 4.49Å; L770-L772 PolarHBondContact O-N 3.34Å; L770-L772 VanDerWaalsContact O-N 3.08Å; L770-F776 HydrophobicContact CB-CE2 4.33Å; L770-F776 HydrophobicContact CD1-CE2 4.2Å; L770-G788 WeakPolarHBondContact O-CA 3.49Å; L770-P789 HydrophobicContact CB-CG 4.4Å; L770-P789 PolarHBondContact N-O 3.27Å; L770-P789 WeakPolarHBondContact O-CD 3.35Å
771	N	98.8	Very high	98.7	Very high	7 Å²	7	6.5 Å²	6.5	4%	0.037	4%	0.041	C	C	.	.			trans	-76.5	95.5	168.5	-63.7	81.1	0	0	0	109.7	A749 H769 H773 K774 T775	A749-N771 WeakPolarHBondContact CA-OD1 3.45Å; A749-N771 WeakPolarHBondContact CB-OD1 3.47Å; H769-N771 PolarHBondContact NE2-OD1 2.9Å; N771-H773 PolarHBondContact ND2-CE1 3.43Å; N771-H773 PolarHBondContact ND2-NE2 3.47Å; N771-H773 PolarHBondContact O-N 2.86Å; N771-K774 HydrophobicContact CB-CB 3.72Å; N771-K774 HydrophobicContact CB-CD 3.71Å; N771-K774 HydrophobicContact CB-CG 3.57Å; N771-K774 PolarHBondContact O-N 3.4Å; N771-T775 PolarHBondContact O-N 3.39Å
772	L	98.9	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27	171.9	-61.9	-168.4	0	0	0	112	L622 L770 K774 F776 C777 I778 M787 P789 L831	L622-L772 HydrophobicContact CD1-CD2 4.32Å; L770-L772 HydrophobicContact CB-CD2 4.49Å; L770-L772 PolarHBondContact O-N 3.34Å; L770-L772 VanDerWaalsContact O-N 3.08Å; L772-K774 PolarHBondContact O-N 2.86Å; L772-F776 HydrophobicContact CB-CB 4.48Å; L772-F776 HydrophobicContact CD2-CB 3.98Å; L772-F776 HydrophobicContact CD2-CD2 3.54Å; L772-F776 HydrophobicContact CD2-CE2 4.34Å; L772-F776 HydrophobicContact CD2-CG 3.99Å; L772-F776 CarbonylContact O-C 3.48Å; L772-F776 WeakPolarHBondContact O-CA 3.42Å; L772-F776 PolarHBondContact O-N 2.84Å; L772-C777 PolarHBondContact O-N 3.37Å; L772-I778 HydrophobicContact CB-CD1 3.59Å; L772-I778 HydrophobicContact CB-CG1 4.15Å; L772-I778 HydrophobicContact CD1-CD1 4.11Å; L772-I778 PolarHBondContact O-N 3.16Å; L772-I778 VanDerWaalsContact O-N 3.08Å; L772-M787 HydrophobicContact CB-CB 4.2Å; L772-M787 HydrophobicContact CD1-CB 3.9Å; L772-M787 HydrophobicContact CG-CB 4.22Å; L772-M787 PolarHBondContact N-O 2.84Å; L772-P789 HydrophobicContact CD1-CG 3.95Å; L772-P789 HydrophobicContact CD2-CG 3.99Å; L772-P789 HydrophobicContact CG-CG 3.81Å; L772-L831 HydrophobicContact CD1-CD2 3.46Å; L772-L831 VanDerWaalsContact CD1-CD2 3.46Å
773	H	98.7	Very high	98.5	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.005	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	26.2	175	62.2	-78.8	0	0	0	113.9	T403 N771 I778 H780 M787	T403-H773 PolarHBondContact OG1-NE2 2.79Å; N771-H773 PolarHBondContact ND2-CE1 3.43Å; N771-H773 PolarHBondContact ND2-NE2 3.47Å; N771-H773 PolarHBondContact O-N 2.86Å; H773-I778 VanDerWaalsContact CA-O 3.3Å; H773-I778 WeakPolarHBondContact CA-O 3.06Å; H773-I778 HydrophobicContact CB-CB 4.04Å; H773-I778 HydrophobicContact CB-CG2 3.94Å; H773-H780 PolarHBondContact O-NE2 3.46Å; H773-M787 PolarHBondContact CE1-O 3.12Å; H773-M787 PolarHBondContact ND1-N 2.66Å; H773-M787 PolarHBondContact ND1-O 2.75Å
774	K	98.8	Very high	98.5	Very high	14 Å²	14	3.2 Å²	3.2	6%	0.061	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.8	-72.2	169.8	-64	-172.5	-171	179.3	0	108.4	S577 C578 T579 K581 N771 L772 F776	S577-K774 WeakPolarHBondContact O-CE 2.98Å; S577-K774 PolarHBondContact O-NZ 3.15Å; C578-K774 WeakPolarHBondContact O-CG 3.29Å; T579-K774 WeakPolarHBondContact CG2-O 3.32Å; K581-K774 WeakPolarHBondContact CD-O 3.34Å; K581-K774 WeakPolarHBondContact CE-O 3.44Å; N771-K774 HydrophobicContact CB-CB 3.72Å; N771-K774 HydrophobicContact CB-CD 3.71Å; N771-K774 HydrophobicContact CB-CG 3.57Å; N771-K774 PolarHBondContact O-N 3.4Å; L772-K774 PolarHBondContact O-N 2.86Å; K774-F776 PolarHBondContact O-N 3.4Å
775	T	98.8	Very high	98.5	Very high	2 Å²	2	2.5 Å²	2.5	1%	0.012	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-26.2	-173.2	-45.4	0	0	0	0	113.5	K581 M751 N752 V755 N771	K581-T775 WeakPolarHBondContact CE-O 3.44Å; K581-T775 PolarHBondContact NZ-O 3.16Å; M751-T775 HydrophobicContact CB-CG2 4.1Å; N752-T775 HydrophobicContact CB-CG2 4.19Å; V755-T775 HydrophobicContact CG2-CG2 4.23Å; N771-T775 PolarHBondContact O-N 3.39Å
776	F	98.9	Very high	98.4	Very high	1 Å²	1	2.4 Å²	2.4	0%	0.004	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	39.1	-170.3	-52.6	-80.4	0	0	0	113.4	L622 L625 V755 L770 L772 K774 I778 S834 Y837 I838	L622-F776 HydrophobicContact CD2-CE1 4.26Å; L622-F776 HydrophobicContact CD2-CE2 4.3Å; L622-F776 HydrophobicContact CD2-CZ 4.09Å; L625-F776 HydrophobicContact CD1-CE1 3.54Å; L625-F776 HydrophobicContact CD1-CZ 3.98Å; V755-F776 HydrophobicContact CG2-CE1 4.32Å; V755-F776 HydrophobicContact CG2-CZ 4.03Å; L770-F776 HydrophobicContact CB-CE2 4.33Å; L770-F776 HydrophobicContact CD1-CE2 4.2Å; L772-F776 HydrophobicContact CB-CB 4.48Å; L772-F776 HydrophobicContact CD2-CB 3.98Å; L772-F776 HydrophobicContact CD2-CD2 3.54Å; L772-F776 HydrophobicContact CD2-CE2 4.34Å; L772-F776 HydrophobicContact CD2-CG 3.99Å; L772-F776 CarbonylContact O-C 3.48Å; L772-F776 WeakPolarHBondContact O-CA 3.42Å; L772-F776 PolarHBondContact O-N 2.84Å; K774-F776 PolarHBondContact O-N 3.4Å; F776-I778 VanDerWaalsContact C-N 3.29Å; F776-I778 PolarHBondContact O-N 2.84Å; F776-S834 WeakPolarHBondContact CB-OG 3.41Å; F776-S834 WeakPolarHBondContact O-CA 3.4Å; F776-S834 PolarHBondContact O-OG 3.29Å; F776-Y837 HydrophobicContact CB-CD1 4.37Å; F776-Y837 HydrophobicContact CD1-CD1 4.06Å; F776-Y837 AromaticContact CD1-CE1 4Å; F776-Y837 HydrophobicContact CD1-CE1 4Å; F776-I838 HydrophobicContact CD1-CD1 3.88Å; F776-I838 HydrophobicContact CD1-CG1 4.06Å; F776-I838 HydrophobicContact CE1-CD1 4.16Å; F776-I838 HydrophobicContact CE1-CG1 4.44Å
777	C	98.8	Very high	98.4	Very high	1 Å²	1	2 Å²	2	1%	0.007	1%	0.011	C	C	.	.			trans	62.8	5.3	161.9	-47.6	0	0	0	0	119.1	K581 N583 E587 L772 I833 Y837	K581-C777 WeakPolarHBondContact CD-SG 3.35Å; N583-C777 PolarHBondContact ND2-O 3.46Å; E587-C777 WeakPolarHBondContact OE2-CB 3.48Å; L772-C777 PolarHBondContact O-N 3.37Å; C777-I833 VanDerWaalsContact C-CG2 3.43Å; C777-I833 HydrophobicContact CB-CG2 4.15Å; C777-I833 WeakPolarHBondContact O-CG2 3.03Å; C777-Y837 HydrophobicContact CB-CG 4.44Å; C777-Y837 WeakPolarHBondContact SG-CD2 3.47Å; C777-Y837 VanDerWaalsContact SG-CE2 3.56Å; C777-Y837 VanDerWaalsContact SG-CG 3.51Å
778	I	98.9	Very high	98.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.			trans	-61.1	131.2	170.5	-69	-177.1	0	0	0	109	L772 H773 F776 M787 I830 I833	L772-I778 HydrophobicContact CB-CD1 3.59Å; L772-I778 HydrophobicContact CB-CG1 4.15Å; L772-I778 HydrophobicContact CD1-CD1 4.11Å; L772-I778 PolarHBondContact O-N 3.16Å; L772-I778 VanDerWaalsContact O-N 3.08Å; H773-I778 VanDerWaalsContact CA-O 3.3Å; H773-I778 WeakPolarHBondContact CA-O 3.06Å; H773-I778 HydrophobicContact CB-CB 4.04Å; H773-I778 HydrophobicContact CB-CG2 3.94Å; F776-I778 VanDerWaalsContact C-N 3.29Å; F776-I778 PolarHBondContact O-N 2.84Å; I778-M787 HydrophobicContact CD1-CB 4.27Å; I778-M787 HydrophobicContact CD1-CG 4.33Å; I778-I830 HydrophobicContact CD1-CB 4.19Å; I778-I830 HydrophobicContact CD1-CD1 4.2Å; I778-I830 HydrophobicContact CD1-CG1 4.13Å; I778-I830 VanDerWaalsContact CD1-O 3.31Å; I778-I830 WeakPolarHBondContact CD1-O 3.47Å; I778-I830 HydrophobicContact CG2-CD1 3.98Å; I778-I833 HydrophobicContact CB-CG2 4.48Å; I778-I833 HydrophobicContact CG1-CB 4.02Å; I778-I833 HydrophobicContact CG1-CD1 4.19Å; I778-I833 HydrophobicContact CG1-CG2 3.87Å
779	P	98.5	Very high	98.4	Very high	4 Å²	4	2 Å²	2	3%	0.026	1%	0.011	C	C	.	.			trans	-67.8	141.9	-172.1	27	-35.9	0	0	0	112.9	V178 N583 L588 G781	V178-P779 HydrophobicContact CB-CB 3.9Å; V178-P779 HydrophobicContact CB-CG 4.43Å; V178-P779 HydrophobicContact CG2-CB 4.1Å; V178-P779 WeakPolarHBondContact O-CB 3.38Å; N583-P779 HydrophobicContact CB-CB 4.34Å; L588-P779 HydrophobicContact CD2-CB 4.32Å; L588-P779 HydrophobicContact CD2-CG 3.7Å; P779-G781 VanDerWaalsContact C-N 3.28Å; P779-G781 PolarHBondContact O-N 3.08Å
780	H	98.8	Very high	98.4	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.005	1%	0.01	C	C	.	.			trans	-67.9	-21.6	-174.5	-66.2	77	0	0	0	114.2	V178 Q180 Y181 C578 T579 M580 H773 G782 G783 G784	V178-H780 PolarHBondContact O-N 3.48Å; Q180-H780 CarbonylContact O-C 3.17Å; Q180-H780 WeakPolarHBondContact O-CB 3.28Å; Y181-H780 HydrophobicContact CD2-CB 3.7Å; Y181-H780 AromaticContact CD2-CD2 3.86Å; Y181-H780 HydrophobicContact CG-CB 4.06Å; Y181-H780 AromaticContact CG-CD2 3.87Å; C578-H780 PolarHBondContact O-NE2 3.27Å; T579-H780 PolarHBondContact O-CE1 3.17Å; T579-H780 VanDerWaalsContact O-CE1 3.32Å; T579-H780 PolarHBondContact O-NE2 3.42Å; M580-H780 HydrophobicContact CE-CB 4.09Å; M580-H780 PolarHBondContact SD-CD2 2.95Å; M580-H780 PolarHBondContact SD-NE2 3.15Å; M580-H780 VanDerWaalsContact SD-NE2 3.4Å; H773-H780 PolarHBondContact O-NE2 3.46Å; H780-G782 VanDerWaalsContact C-N 3.27Å; H780-G782 PolarHBondContact O-N 2.89Å; H780-G782 VanDerWaalsContact O-N 3.12Å; H780-G783 PolarHBondContact O-N 3.11Å; H780-G784 PolarHBondContact O-N 3.35Å
781	G	98.3	Very high	98.4	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.01	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	24.4	163.6	0	0	0	0	0	116.2	V178 Q180 L407 P779 G783 G784	V178-G781 PolarHBondContact O-N 3.41Å; Q180-G781 PolarHBondContact O-N 3.2Å; L407-G781 WeakPolarHBondContact CB-O 3.47Å; L407-G781 PolarHBondContact N-O 3.03Å; P779-G781 VanDerWaalsContact C-N 3.28Å; P779-G781 PolarHBondContact O-N 3.08Å; G781-G783 PolarHBondContact O-N 3.08Å; G781-G784 CarbonylContact C-O 3.56Å; G781-G784 WeakPolarHBondContact CA-O 3.29Å
782	G	97.9	Very high	98.4	Very high	2 Å²	2	1.5 Å²	1.5	2%	0.021	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	12.9	-172.7	0	0	0	0	0	114.4	Q180 Y181 T182 H780	Q180-G782 WeakPolarHBondContact O-CA 3Å; Q180-G782 PolarHBondContact O-N 3.22Å; Y181-G782 CarbonylContact O-C 3.46Å; Y181-G782 WeakPolarHBondContact O-CA 3.35Å; T182-G782 WeakPolarHBondContact CA-O 3.35Å; H780-G782 VanDerWaalsContact C-N 3.27Å; H780-G782 PolarHBondContact O-N 2.89Å; H780-G782 VanDerWaalsContact O-N 3.12Å
783	G	96.5	Very high	98.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.8	25.6	-175.2	0	0	0	0	0	114.4	R367 A404 H780 G781	R367-G783 PolarHBondContact NH2-O 3.04Å; A404-G783 PolarHBondContact N-O 3.2Å; H780-G783 PolarHBondContact O-N 3.11Å; G781-G783 PolarHBondContact O-N 3.08Å
784	G	97.1	Very high	98.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.041	C	C	.	.			trans	148.7	137.9	-177.5	0	0	0	0	0	111.9	A404 A406 L407 H780 G781	A404-G784 WeakPolarHBondContact O-CA 3.12Å; A406-G784 PolarHBondContact N-O 3.03Å; L407-G784 VanDerWaalsContact CB-O 3.26Å; L407-G784 WeakPolarHBondContact CB-O 3.38Å; L407-G784 PolarHBondContact N-O 2.72Å; H780-G784 PolarHBondContact O-N 3.35Å; G781-G784 CarbonylContact C-O 3.56Å; G781-G784 WeakPolarHBondContact CA-O 3.29Å
785	P	97.9	Very high	98.3	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.019	5%	0.053	C	C	.	.			cis	-85.6	175.3	30.2	32.6	-37.9	0	0	0	115.4	P349 L408 I830	P349-P785 HydrophobicContact CB-CB 3.56Å; P349-P785 HydrophobicContact CB-CG 4.39Å; P349-P785 HydrophobicContact CG-CB 3.82Å; P349-P785 HydrophobicContact CG-CG 4.1Å; L408-P785 HydrophobicContact CD2-CB 3.84Å; L408-P785 HydrophobicContact CD2-CG 4.12Å; P785-I830 HydrophobicContact CB-CD1 3.78Å; P785-I830 HydrophobicContact CG-CD1 3.96Å
786	G	96.9	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.053	C	C	.	.			trans	-144.2	167.1	166.9	0	0	0	0	0	112.2	N636	N636-G786 CarbonylContact O-C 3.48Å
787	M	98.8	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.06	C	C	.	.			trans	-136.1	144.2	160	-75.6	-61.8	-89	0	0	108.3	F633 N636 L772 H773 I778 W825 S827 I830 L831	F633-M787 HydrophobicContact CB-CE 4.42Å; F633-M787 WeakPolarHBondContact O-CE 3.21Å; N636-M787 HydrophobicContact CB-SD 4.22Å; L772-M787 HydrophobicContact CB-CB 4.2Å; L772-M787 HydrophobicContact CD1-CB 3.9Å; L772-M787 HydrophobicContact CG-CB 4.22Å; L772-M787 PolarHBondContact N-O 2.84Å; H773-M787 PolarHBondContact CE1-O 3.12Å; H773-M787 PolarHBondContact ND1-N 2.66Å; H773-M787 PolarHBondContact ND1-O 2.75Å; I778-M787 HydrophobicContact CD1-CB 4.27Å; I778-M787 HydrophobicContact CD1-CG 4.33Å; M787-W825 WeakPolarHBondContact CE-O 3.22Å; M787-S827 WeakPolarHBondContact SD-CB 3.38Å; M787-S827 PolarHBondContact SD-N 3.47Å; M787-I830 HydrophobicContact CG-CD1 4Å; M787-I830 HydrophobicContact CG-CG1 4.12Å; M787-L831 HydrophobicContact CB-CD2 4.39Å; M787-L831 HydrophobicContact CE-CD1 4.16Å; M787-L831 HydrophobicContact CE-CD2 3.84Å; M787-L831 HydrophobicContact CE-CG 4.17Å; M787-L831 HydrophobicContact CG-CD2 4.05Å
788	G	98.6	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.			trans	-134.5	51.6	-178.8	0	0	0	0	0	113	P635 S637 G641 L770	P635-G788 CarbonylContact O-C 3.48Å; P635-G788 PolarHBondContact O-N 2.9Å; S637-G788 WeakPolarHBondContact O-CA 3.38Å; G641-G788 WeakPolarHBondContact CA-O 3.23Å; L770-G788 WeakPolarHBondContact O-CA 3.49Å
789	P	98.8	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-54	140.9	-178.1	25.5	-36.6	0	0	0	111.5	L622 I631 S632 F633 H769 L770 L772	L622-P789 HydrophobicContact CD1-CG 4.46Å; I631-P789 HydrophobicContact CG2-CB 4.07Å; S632-P789 CarbonylContact O-C 3.08Å; S632-P789 WeakPolarHBondContact O-CA 3.38Å; S632-P789 WeakPolarHBondContact O-CB 3.45Å; F633-P789 HydrophobicContact CD1-CB 3.77Å; F633-P789 HydrophobicContact CD1-CG 4.31Å; F633-P789 HydrophobicContact CE1-CB 4.2Å; H769-P789 CarbonylContact C-O 3.54Å; H769-P789 WeakPolarHBondContact CA-O 3.15Å; L770-P789 HydrophobicContact CB-CG 4.4Å; L770-P789 PolarHBondContact N-O 3.27Å; L770-P789 WeakPolarHBondContact O-CD 3.35Å; L772-P789 HydrophobicContact CD1-CG 3.95Å; L772-P789 HydrophobicContact CD2-CG 3.99Å; L772-P789 HydrophobicContact CG-CG 3.81Å
790	I	98.8	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.5	175.2	54.5	171.2	0	0	0	111.2	I631 S632 P635 G641 A644 V767 S768 H769 V792 L800	I631-I790 CarbonylContact C-O 3.6Å; I631-I790 VanDerWaalsContact CA-O 3.29Å; I631-I790 WeakPolarHBondContact CA-O 3.46Å; S632-I790 PolarHBondContact N-O 2.7Å; S632-I790 PolarHBondContact O-N 3.3Å; P635-I790 HydrophobicContact CG-CG1 4.45Å; G641-I790 WeakPolarHBondContact O-CG2 3.47Å; A644-I790 HydrophobicContact CB-CD1 3.91Å; V767-I790 HydrophobicContact CG2-CB 4.43Å; S768-I790 CarbonylContact O-C 3.43Å; S768-I790 WeakPolarHBondContact O-CA 3.12Å; H769-I790 HydrophobicContact CB-CG2 4.05Å; I790-V792 HydrophobicContact CD1-CG1 4.32Å; I790-L800 HydrophobicContact CD1-CD2 3.57Å; I790-L800 HydrophobicContact CG1-CD2 4.05Å
791	G	98.8	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.4	163.3	0	0	0	0	0	109.6	Y628 K630 V767 S768	Y628-G791 VanDerWaalsContact CD2-C 3.49Å; Y628-G791 VanDerWaalsContact CG-C 3.48Å; K630-G791 WeakPolarHBondContact O-CA 3.28Å; V767-G791 VanDerWaalsContact CA-O 3.3Å; V767-G791 WeakPolarHBondContact CA-O 3.19Å; S768-G791 PolarHBondContact N-O 3.34Å; S768-G791 PolarHBondContact O-N 3.27Å
792	V	98.8	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	-176.9	-58.2	0	0	0	0	112.6	Y628 D629 K630 D766 V767 I790 L796 A797 L800	Y628-V792 WeakPolarHBondContact CB-O 3.44Å; D629-V792 PolarHBondContact N-O 2.6Å; K630-V792 HydrophobicContact CB-CG2 4.01Å; K630-V792 PolarHBondContact N-O 3.2Å; K630-V792 PolarHBondContact O-N 3.32Å; D766-V792 WeakPolarHBondContact O-CA 3.49Å; V767-V792 HydrophobicContact CB-CG1 4.02Å; V767-V792 HydrophobicContact CG2-CG1 3.76Å; I790-V792 HydrophobicContact CD1-CG1 4.32Å; V792-L796 HydrophobicContact CB-CB 4.01Å; V792-L796 HydrophobicContact CG1-CB 4.42Å; V792-L796 HydrophobicContact CG2-CB 4.46Å; V792-A797 HydrophobicContact CG2-CB 4.18Å; V792-L800 HydrophobicContact CG1-CD2 3.79Å; V792-L800 HydrophobicContact CG2-CD1 3.93Å; V792-L800 HydrophobicContact CG2-CD2 3.9Å; V792-L800 HydrophobicContact CG2-CG 4.08Å
793	K	98.8	Very high	97.7	Very high	42 Å²	42	14.1 Å²	14.1	18%	0.183	9%	0.086	C	C	.	.			trans	-69.4	155.3	165.8	-71.6	-60.8	-169.3	-178.6	0	112.2	G627 Y628 D629 G761 D766 H795 L796 A797	G627-K793 PolarHBondContact O-NZ 3.42Å; Y628-K793 HydrophobicContact CD1-CD 4.13Å; Y628-K793 HydrophobicContact CD1-CG 4.1Å; Y628-K793 HydrophobicContact CE1-CG 4.26Å; D629-K793 VanDerWaalsContact OD2-CA 3.3Å; D629-K793 WeakPolarHBondContact OD2-CA 3.43Å; D629-K793 WeakPolarHBondContact OD2-CD 3.5Å; G761-K793 VanDerWaalsContact O-CE 3.27Å; G761-K793 WeakPolarHBondContact O-CE 3.38Å; G761-K793 PolarHBondContact O-NZ 3.45Å; D766-K793 PolarHBondContact O-N 1.98Å; K793-H795 VanDerWaalsContact CB-CE1 3.46Å; K793-H795 WeakPolarHBondContact CB-CE1 3.31Å; K793-H795 PolarHBondContact O-N 2.93Å; K793-L796 PolarHBondContact O-N 3.22Å; K793-A797 PolarHBondContact O-N 3.23Å
794	A	97.7	Very high	97.8	Very high	62 Å²	62	17.4 Å²	17.4	51%	0.512	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30	-172.8	0	0	0	0	0	114.9	D629	D629-A794 HydrophobicContact CB-CB 4.05Å; D629-A794 PolarHBondContact OD2-N 2.82Å
795	H	97.6	Very high	97.8	Very high	66 Å²	66	19.6 Å²	19.6	31%	0.306	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-24.1	177.9	62.8	-77.1	0	0	0	114	Y652 Q743 D766 K793 F799	Y652-H795 HydrophobicContact CE2-CB 4.35Å; Y652-H795 AromaticContact CE2-CD2 3.9Å; Y652-H795 AromaticContact CZ-CD2 3.72Å; Q743-H795 PolarHBondContact OE1-CD2 2.94Å; Q743-H795 PolarHBondContact OE1-NE2 2.82Å; D766-H795 IonicContact OD1-CE1 2.68Å; D766-H795 PolarHBondContact OD1-CE1 3.26Å; D766-H795 IonicContact OD1-NE2 3.52Å; D766-H795 PolarHBondContact OD1-NE2 2.76Å; K793-H795 VanDerWaalsContact CB-CE1 3.46Å; K793-H795 WeakPolarHBondContact CB-CE1 3.31Å; K793-H795 PolarHBondContact O-N 2.93Å; H795-F799 WeakPolarHBondContact O-CD2 3.22Å; H795-F799 WeakPolarHBondContact O-CE2 3.47Å
796	L	97.9	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-18.4	173.9	-65.6	-175.4	0	0	0	112.6	I649 Y652 D766 V767 V792 K793 P798 F799	I649-L796 HydrophobicContact CG1-CD1 4.09Å; Y652-L796 HydrophobicContact CD1-CD2 3.8Å; Y652-L796 HydrophobicContact CD2-CD2 4.31Å; Y652-L796 HydrophobicContact CG-CD2 3.62Å; D766-L796 HydrophobicContact CB-CD1 3.87Å; V767-L796 HydrophobicContact CB-CD1 3.95Å; V767-L796 HydrophobicContact CG1-CD1 3.83Å; V792-L796 HydrophobicContact CB-CB 4.01Å; V792-L796 HydrophobicContact CG1-CB 4.42Å; V792-L796 HydrophobicContact CG2-CB 4.46Å; K793-L796 PolarHBondContact O-N 3.22Å; L796-P798 VanDerWaalsContact C-CD 3.43Å; L796-F799 WeakPolarHBondContact O-CB 3.33Å; L796-F799 PolarHBondContact O-N 3.06Å
797	A	96.9	Very high	97.2	Very high	19 Å²	19	24.5 Å²	24.5	16%	0.157	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-54.1	-38.4	-179.3	0	0	0	0	0	115.5	K630 V792 K793 F799 L800	K630-A797 HydrophobicContact CB-CB 3.96Å; K630-A797 HydrophobicContact CG-CB 4.24Å; V792-A797 HydrophobicContact CG2-CB 4.18Å; K793-A797 PolarHBondContact O-N 3.23Å; A797-F799 PolarHBondContact O-N 3.39Å; A797-L800 HydrophobicContact CB-CD1 4.48Å; A797-L800 WeakPolarHBondContact O-CG 3.49Å; A797-L800 PolarHBondContact O-N 3.11Å
798	P	95.8	Very high	96.6	Very high	55 Å²	55	25.7 Å²	25.7	36%	0.357	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66.3	-14.2	176.3	-21.7	34.6	0	0	0	114.9	L796 S815	L796-P798 VanDerWaalsContact C-CD 3.43Å; P798-S815 PolarHBondContact O-OG 2.96Å
799	F	97.1	Very high	95	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.088	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-103.2	0.4	-175.5	-55.2	-82.4	0	0	0	112.8	A651 Y652 S655 H795 L796 A797 S815 L817	A651-F799 HydrophobicContact CB-CB 4.16Å; A651-F799 HydrophobicContact CB-CD1 3.88Å; A651-F799 HydrophobicContact CB-CG 4.37Å; Y652-F799 HydrophobicContact CD2-CD2 4.36Å; Y652-F799 AromaticContact CD2-CE2 3.8Å; Y652-F799 HydrophobicContact CD2-CE2 3.8Å; Y652-F799 HydrophobicContact CD2-CZ 4.31Å; Y652-F799 HydrophobicContact CG-CE2 4.43Å; S655-F799 VanDerWaalsContact OG-CZ 3.24Å; S655-F799 WeakPolarHBondContact OG-CZ 3.43Å; H795-F799 WeakPolarHBondContact O-CD2 3.22Å; H795-F799 WeakPolarHBondContact O-CE2 3.47Å; L796-F799 WeakPolarHBondContact O-CB 3.33Å; L796-F799 PolarHBondContact O-N 3.06Å; A797-F799 PolarHBondContact O-N 3.39Å; F799-S815 WeakPolarHBondContact CD1-O 3.36Å; F799-L817 VanDerWaalsContact O-CB 3.24Å; F799-L817 WeakPolarHBondContact O-CB 3.28Å; F799-L817 WeakPolarHBondContact O-CD2 3.38Å; F799-L817 WeakPolarHBondContact O-CG 3.41Å; F799-L817 PolarHBondContact O-N 2.92Å
800	L	97.6	Very high	93.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	-57.6	160.7	179.7	-75.9	174.7	0	0	0	113.3	K630 I790 V792 A797 S802 V811 S816	K630-L800 HydrophobicContact CB-CD1 4.25Å; K630-L800 HydrophobicContact CG-CD1 3.53Å; I790-L800 HydrophobicContact CD1-CD2 3.57Å; I790-L800 HydrophobicContact CG1-CD2 4.05Å; V792-L800 HydrophobicContact CG1-CD2 3.79Å; V792-L800 HydrophobicContact CG2-CD1 3.93Å; V792-L800 HydrophobicContact CG2-CD2 3.9Å; V792-L800 HydrophobicContact CG2-CG 4.08Å; A797-L800 HydrophobicContact CB-CD1 4.48Å; A797-L800 WeakPolarHBondContact O-CG 3.49Å; A797-L800 PolarHBondContact O-N 3.11Å; L800-S802 PolarHBondContact O-N 2.58Å; L800-V811 HydrophobicContact CB-CG2 4.12Å; L800-V811 WeakPolarHBondContact O-CG1 3.47Å; L800-S816 WeakPolarHBondContact O-CB 3.48Å; L800-S816 PolarHBondContact O-OG 3.16Å
801	P	97.2	Very high	92.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.228	C	C	.	.			trans	-59.3	137.8	178.8	-20.2	29.1	0	0	0	113.1	Q634 L817 G818 I820	Q634-P801 HydrophobicContact CB-CB 4.23Å; Q634-P801 HydrophobicContact CG-CB 4.47Å; Q634-P801 VanDerWaalsContact OE1-CB 3.26Å; P801-L817 HydrophobicContact CB-CD1 4.28Å; P801-L817 HydrophobicContact CG-CD1 4.14Å; P801-L817 HydrophobicContact CG-CD2 4.06Å; P801-L817 HydrophobicContact CG-CG 4.31Å; P801-G818 WeakPolarHBondContact CA-O 3.48Å; P801-I820 HydrophobicContact CB-CG1 3.99Å; P801-I820 HydrophobicContact CG-CG1 3.72Å
802	S	96.7	Very high	91.1	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.098	25%	0.25	C	S	.	.			trans	-107.6	-179.5	170.6	58.2	0	0	0	0	110.1	Q634 L800 S816 G818 T819	Q634-S802 PolarHBondContact NE2-O 2.87Å; L800-S802 PolarHBondContact O-N 2.58Å; S802-S816 VanDerWaalsContact CB-OG 3.29Å; S802-S816 WeakPolarHBondContact CB-OG 3.16Å; S802-S816 PolarHBondContact N-OG 3.32Å; S802-S816 WeakPolarHBondContact OG-CB 3.39Å; S802-S816 PolarHBondContact OG-OG 2.94Å; S802-G818 PolarHBondContact N-O 3.27Å; S802-G818 PolarHBondContact OG-O 3.1Å; S802-T819 WeakPolarHBondContact O-CB 3.48Å; S802-T819 PolarHBondContact O-OG1 2.97Å
803	H	97.9	Very high	90	Very high	12 Å²	12	47 Å²	47	6%	0.056	28%	0.28	C	S	.	.			trans	-142.9	137.9	177.6	-167.7	-90.6	0	0	0	110.3	Q248 F602 V805 V806 M808 A822 A823 P824	Q248-H803 WeakPolarHBondContact CB-NE2 3.47Å; F602-H803 AromaticContact CD1-CE1 3.44Å; F602-H803 VanDerWaalsContact CD1-CE1 3.44Å; F602-H803 WeakPolarHBondContact CD1-CE1 3.2Å; F602-H803 AromaticContact CE1-CE1 2.69Å; F602-H803 WeakPolarHBondContact CE1-CE1 3.32Å; F602-H803 AromaticContact CE1-NE2 3.9Å; F602-H803 AromaticContact CE2-CE1 3.97Å; F602-H803 AromaticContact CZ-CE1 3.04Å; F602-H803 WeakPolarHBondContact CZ-CE1 3.36Å; H803-V805 VanDerWaalsContact C-N 3.33Å; H803-V805 WeakPolarHBondContact CE1-CB 3.47Å; H803-V805 WeakPolarHBondContact CE1-CG2 3.43Å; H803-V805 PolarHBondContact ND1-N 3Å; H803-V805 VanDerWaalsContact ND1-N 3.17Å; H803-V805 PolarHBondContact O-N 3.07Å; H803-V806 PolarHBondContact ND1-N 3.13Å; H803-M808 HydrophobicContact CB-CG 4.4Å; H803-A822 PolarHBondContact NE2-O 3.36Å; H803-A823 PolarHBondContact NE2-N 3.01Å; H803-P824 HydrophobicContact CB-CB 3.91Å
804	P	96.9	Very high	89	Confident	70 Å²	70	50.1 Å²	50.1	46%	0.455	31%	0.306	S	S	.	.	S	Bend	trans	-75.1	-17.9	-173.6	29.6	-36.9	0	0	0	114.3	Q248 A251	Q248-P804 HydrophobicContact CB-CG 4.38Å; A251-P804 HydrophobicContact CB-CB 4.42Å; A251-P804 HydrophobicContact CB-CG 3.76Å
805	V	97.5	Very high	88.5	Confident	45 Å²	45	48.5 Å²	48.5	27%	0.273	29%	0.291	S	S	.	.	S	Bend	trans	-101	-31.8	-176.4	-167.6	0	0	0	0	112.1	M156 P247 F602 H803	M156-V805 HydrophobicContact CE-CB 4.38Å; M156-V805 HydrophobicContact CE-CG1 3.78Å; M156-V805 HydrophobicContact CE-CG2 3.58Å; M156-V805 HydrophobicContact SD-CG1 4.44Å; P247-V805 HydrophobicContact CG-CG2 3.9Å; F602-V805 HydrophobicContact CB-CG1 3.83Å; F602-V805 HydrophobicContact CD1-CB 4.08Å; F602-V805 HydrophobicContact CD1-CG1 3.99Å; F602-V805 HydrophobicContact CD2-CG1 3.97Å; F602-V805 HydrophobicContact CE1-CB 4.33Å; F602-V805 HydrophobicContact CE1-CG2 4.49Å; F602-V805 HydrophobicContact CE2-CG2 4.4Å; F602-V805 HydrophobicContact CG-CB 4.23Å; F602-V805 HydrophobicContact CG-CG1 3.65Å; F602-V805 HydrophobicContact CZ-CG2 4.38Å; H803-V805 VanDerWaalsContact C-N 3.33Å; H803-V805 WeakPolarHBondContact CE1-CB 3.47Å; H803-V805 WeakPolarHBondContact CE1-CG2 3.43Å; H803-V805 PolarHBondContact ND1-N 3Å; H803-V805 VanDerWaalsContact ND1-N 3.17Å; H803-V805 PolarHBondContact O-N 3.07Å
806	V	95.8	Very high	88.3	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.055	28%	0.283	C	S	.	.	S	Bend	trans	-124.2	112.5	-173.1	-179.2	0	0	0	0	110.3	F602 L605 H803 M808 P824 W825	F602-V806 HydrophobicContact CD1-CG2 3.91Å; L605-V806 HydrophobicContact CD2-CG1 3.93Å; H803-V806 PolarHBondContact ND1-N 3.13Å; V806-M808 PolarHBondContact O-N 3.31Å; V806-M808 VanDerWaalsContact O-N 3.1Å; V806-P824 HydrophobicContact CB-CB 4.22Å; V806-P824 HydrophobicContact CB-CG 4.04Å; V806-P824 HydrophobicContact CG1-CG 4.4Å; V806-P824 HydrophobicContact CG2-CG 4.06Å; V806-W825 HydrophobicContact CG1-CH2 3.68Å; V806-W825 HydrophobicContact CG1-CZ3 3.92Å
807	P	88.1	Confident	88.1	Confident	98 Å²	98	46.6 Å²	46.6	64%	0.636	29%	0.285	S	S	*	.			trans	-62	111.2	-179.8	-26.5	36	0	0	0	113.4	Q809	P807-Q809 PolarHBondContact O-N 3.18Å; P807-Q809 VanDerWaalsContact O-N 3.08Å
808	M	85.7	Confident	88.2	Confident	24 Å²	24	46.5 Å²	46.5	12%	0.118	29%	0.286	C	S	.	.			trans	-78.9	88.9	178.2	-61.7	-65.2	-87.8	0	0	109.8	H803 V806 S810 V811 P824 W825	H803-M808 HydrophobicContact CB-CG 4.4Å; V806-M808 PolarHBondContact O-N 3.31Å; V806-M808 VanDerWaalsContact O-N 3.1Å; M808-S810 PolarHBondContact O-N 2.75Å; M808-V811 HydrophobicContact CB-CB 4.2Å; M808-V811 HydrophobicContact CB-CG2 4.22Å; M808-V811 PolarHBondContact O-N 3.35Å; M808-P824 HydrophobicContact CE-CB 4.49Å; M808-P824 WeakPolarHBondContact CE-O 3.29Å; M808-P824 HydrophobicContact SD-CB 3.84Å; M808-W825 HydrophobicContact CE-CZ2 4.27Å; M808-W825 HydrophobicContact SD-CH2 4.18Å; M808-W825 HydrophobicContact SD-CZ2 3.65Å
809	Q	64.8	Low	88.3	Confident	179 Å²	179	44.2 Å²	44.2	84%	0.836	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-23.9	-166.8	-66.5	-177.4	-12.4	0	0	117.3	P807	P807-Q809 PolarHBondContact O-N 3.18Å; P807-Q809 VanDerWaalsContact O-N 3.08Å
810	S	64.4	Low	88.3	Confident	76 Å²	76	43.3 Å²	43.3	53%	0.531	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	10.3	179.3	65.6	0	0	0	0	114.6	K630 M808	K630-S810 VanDerWaalsContact CE-OG 3.24Å; K630-S810 WeakPolarHBondContact CE-OG 3.42Å; K630-S810 PolarHBondContact NZ-OG 3.05Å; M808-S810 PolarHBondContact O-N 2.75Å
811	V	74.6	Confident	88.4	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.115	27%	0.266	C	S	.	.	S	Bend	trans	-124.1	125.5	-178.4	-179.3	0	0	0	0	108.8	L800 M808 S813	L800-V811 HydrophobicContact CB-CG2 4.12Å; L800-V811 WeakPolarHBondContact O-CG1 3.47Å; M808-V811 HydrophobicContact CB-CB 4.2Å; M808-V811 HydrophobicContact CB-CG2 4.22Å; M808-V811 PolarHBondContact O-N 3.35Å; V811-S813 PolarHBondContact O-N 3.36Å
812	N	76.1	Confident	88.5	Confident	88 Å²	88	43.2 Å²	43.2	47%	0.471	27%	0.267	S	S	.	.			trans	-78.5	112.6	169.3	173.4	21	0	0	0	109.4	S814 S815 S816	N812-S814 PolarHBondContact ND2-OG 3.02Å; N812-S814 PolarHBondContact O-N 2.96Å; N812-S814 PolarHBondContact OD1-N 3.01Å; N812-S814 VanDerWaalsContact OD1-N 3.09Å; N812-S814 PolarHBondContact OD1-OG 2.76Å; N812-S815 PolarHBondContact O-N 3.43Å; N812-S815 PolarHBondContact O-OG 2.99Å; N812-S816 PolarHBondContact O-N 3.17Å
813	S	75.5	Confident	88.6	Confident	88 Å²	88	42.6 Å²	42.6	62%	0.615	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.9	179.8	-53	0	0	0	0	114.1	V811	V811-S813 PolarHBondContact O-N 3.36Å
814	S	77	Confident	88.6	Confident	106 Å²	106	42 Å²	42	74%	0.741	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.9	177.2	88	0	0	0	0	114.4	N812	N812-S814 PolarHBondContact ND2-OG 3.02Å; N812-S814 PolarHBondContact O-N 2.96Å; N812-S814 PolarHBondContact OD1-N 3.01Å; N812-S814 VanDerWaalsContact OD1-N 3.09Å; N812-S814 PolarHBondContact OD1-OG 2.76Å
815	S	87.1	Confident	88.7	Confident	29 Å²	29	39.9 Å²	39.9	20%	0.203	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-10	174.8	56.5	0	0	0	0	113.2	P798 F799 N812	P798-S815 PolarHBondContact O-OG 2.96Å; F799-S815 WeakPolarHBondContact CD1-O 3.36Å; N812-S815 PolarHBondContact O-N 3.43Å; N812-S815 PolarHBondContact O-OG 2.99Å
816	S	93.5	Very high	88.7	Confident	19 Å²	19	37.8 Å²	37.8	13%	0.133	23%	0.23	C	C	.	.	S	Bend	trans	-54.5	143	176	-178.2	0	0	0	0	112.3	L800 S802 N812 G818	L800-S816 WeakPolarHBondContact O-CB 3.48Å; L800-S816 PolarHBondContact O-OG 3.16Å; S802-S816 VanDerWaalsContact CB-OG 3.29Å; S802-S816 WeakPolarHBondContact CB-OG 3.16Å; S802-S816 PolarHBondContact N-OG 3.32Å; S802-S816 WeakPolarHBondContact OG-CB 3.39Å; S802-S816 PolarHBondContact OG-OG 2.94Å; N812-S816 PolarHBondContact O-N 3.17Å; S816-G818 PolarHBondContact O-N 2.88Å; S816-G818 VanDerWaalsContact O-N 3.08Å; S816-G818 PolarHBondContact OG-N 3.13Å; S816-G818 PolarHBondContact OG-O 3.17Å
817	L	95	Very high	88.9	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	23%	0.228	C	C	.	.			trans	-62.2	-10.5	171.6	66.6	78.8	0	0	0	114.4	T255 Y259 A644 A647 A648 A651 F799 P801 I820	T255-L817 HydrophobicContact CG2-CD1 4.46Å; Y259-L817 WeakPolarHBondContact CE2-O 3.48Å; Y259-L817 VanDerWaalsContact OH-CA 3.29Å; Y259-L817 WeakPolarHBondContact OH-CA 3.5Å; Y259-L817 WeakPolarHBondContact OH-CB 3.26Å; Y259-L817 PolarHBondContact OH-O 2.74Å; A644-L817 VanDerWaalsContact O-CD2 3.26Å; A644-L817 WeakPolarHBondContact O-CD2 3.35Å; A647-L817 HydrophobicContact CB-CB 4.25Å; A647-L817 HydrophobicContact CB-CD1 4.29Å; A647-L817 HydrophobicContact CB-CD2 4.07Å; A647-L817 HydrophobicContact CB-CG 4.46Å; A648-L817 HydrophobicContact CB-CD2 3.78Å; A651-L817 HydrophobicContact CB-CB 4.14Å; F799-L817 VanDerWaalsContact O-CB 3.24Å; F799-L817 WeakPolarHBondContact O-CB 3.28Å; F799-L817 WeakPolarHBondContact O-CD2 3.38Å; F799-L817 WeakPolarHBondContact O-CG 3.41Å; F799-L817 PolarHBondContact O-N 2.92Å; P801-L817 HydrophobicContact CB-CD1 4.28Å; P801-L817 HydrophobicContact CG-CD1 4.14Å; P801-L817 HydrophobicContact CG-CD2 4.06Å; P801-L817 HydrophobicContact CG-CG 4.31Å; L817-I820 HydrophobicContact CD1-CD1 3.59Å; L817-I820 HydrophobicContact CD1-CG1 3.77Å
818	G	97.3	Very high	89.4	Confident	17 Å²	17	32.7 Å²	32.7	18%	0.175	20%	0.197	C	C	.	.			trans	112.7	-148.1	-172	0	0	0	0	0	112.5	P801 S802 S816	P801-G818 WeakPolarHBondContact CA-O 3.48Å; S802-G818 PolarHBondContact N-O 3.27Å; S802-G818 PolarHBondContact OG-O 3.1Å; S816-G818 PolarHBondContact O-N 2.88Å; S816-G818 VanDerWaalsContact O-N 3.08Å; S816-G818 PolarHBondContact OG-N 3.13Å; S816-G818 PolarHBondContact OG-O 3.17Å
819	T	98.4	Very high	89.9	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.037	19%	0.192	C	C	.	.			trans	-124.1	131.2	-179.9	-57.8	0	0	0	0	110.3	V252 T255 S802 S821	V252-T819 HydrophobicContact CG2-CG2 3.81Å; T255-T819 VanDerWaalsContact CB-O 3.26Å; T255-T819 WeakPolarHBondContact CB-O 3.21Å; T255-T819 WeakPolarHBondContact CG2-O 3.45Å; T255-T819 PolarHBondContact OG1-N 3.42Å; T255-T819 PolarHBondContact OG1-O 2.9Å; S802-T819 WeakPolarHBondContact O-CB 3.48Å; S802-T819 PolarHBondContact O-OG1 2.97Å; T819-S821 VanDerWaalsContact CG2-O 3.31Å; T819-S821 WeakPolarHBondContact CG2-O 3.33Å
820	I	98.4	Very high	91.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	15%	0.154	C	C	.	.			trans	-97.7	-37.1	-172	-63.5	-66.1	0	0	0	112.1	T221 P635 Q640 Y643 A644 P801 L817	T221-I820 WeakPolarHBondContact CG2-O 3.37Å; P635-I820 HydrophobicContact CB-CG2 4.25Å; P635-I820 HydrophobicContact CG-CG2 4.38Å; Q640-I820 HydrophobicContact CB-CG2 4.23Å; Q640-I820 VanDerWaalsContact NE2-CG2 3.3Å; Q640-I820 PolarHBondContact NE2-O 2.67Å; Y643-I820 HydrophobicContact CD1-CD1 3.71Å; Y643-I820 HydrophobicContact CE1-CD1 3.43Å; Y643-I820 VanDerWaalsContact CE1-CD1 3.43Å; A644-I820 HydrophobicContact CB-CD1 3.88Å; A644-I820 HydrophobicContact CB-CG1 3.82Å; A644-I820 HydrophobicContact CB-CG2 4.32Å; P801-I820 HydrophobicContact CB-CG1 3.99Å; P801-I820 HydrophobicContact CG-CG1 3.72Å; L817-I820 HydrophobicContact CD1-CD1 3.59Å; L817-I820 HydrophobicContact CD1-CG1 3.77Å
821	S	98.8	Very high	93.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-135.7	156	-173.1	-61.7	0	0	0	0	110.8	D218 Q634 N636 Q640 T819 A823	D218-S821 WeakPolarHBondContact OD2-CA 3.22Å; D218-S821 VanDerWaalsContact OD2-CB 3.32Å; D218-S821 WeakPolarHBondContact OD2-CB 3.35Å; Q634-S821 VanDerWaalsContact O-CB 3.31Å; Q634-S821 WeakPolarHBondContact O-CB 3.24Å; Q634-S821 PolarHBondContact O-OG 2.87Å; N636-S821 VanDerWaalsContact CG-OG 3.31Å; N636-S821 PolarHBondContact OD1-OG 3.01Å; Q640-S821 PolarHBondContact NE2-OG 3.29Å; T819-S821 VanDerWaalsContact CG2-O 3.31Å; T819-S821 WeakPolarHBondContact CG2-O 3.33Å; S821-A823 VanDerWaalsContact C-N 3.26Å; S821-A823 PolarHBondContact O-N 2.92Å
822	A	98.8	Very high	94.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	12%	0.123	C	C	.	.	S	Bend	trans	-66.3	-24.6	-174.6	0	0	0	0	0	113.9	D218 Q248 H803	D218-A822 HydrophobicContact CB-CB 3.8Å; D218-A822 PolarHBondContact OD2-N 3.3Å; Q248-A822 WeakPolarHBondContact CB-O 3.18Å; Q248-A822 HydrophobicContact CG-CB 4.02Å; Q248-A822 WeakPolarHBondContact CG-O 3.48Å; H803-A822 PolarHBondContact NE2-O 3.36Å
823	A	98.8	Very high	95.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	10%	0.101	C	C	.	.	S	Bend	trans	-108.8	142.6	175.6	0	0	0	0	0	112.1	G347 H803 S821 W825 G826	G347-A823 VanDerWaalsContact CA-CB 3.47Å; H803-A823 PolarHBondContact NE2-N 3.01Å; S821-A823 VanDerWaalsContact C-N 3.26Å; S821-A823 PolarHBondContact O-N 2.92Å; A823-W825 VanDerWaalsContact C-N 3.28Å; A823-W825 PolarHBondContact O-N 2.93Å; A823-G826 PolarHBondContact O-N 2.88Å; A823-G826 VanDerWaalsContact O-N 3.09Å
824	P	98.2	Very high	96.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.5	-173.7	19.8	-32.7	0	0	0	114.8	Q634 H803 V806 M808	Q634-P824 WeakPolarHBondContact CB-O 3.32Å; Q634-P824 WeakPolarHBondContact CG-O 3.48Å; Q634-P824 PolarHBondContact NE2-O 3.46Å; H803-P824 HydrophobicContact CB-CB 3.91Å; V806-P824 HydrophobicContact CB-CB 4.22Å; V806-P824 HydrophobicContact CB-CG 4.04Å; V806-P824 HydrophobicContact CG1-CG 4.4Å; V806-P824 HydrophobicContact CG2-CG 4.06Å; M808-P824 HydrophobicContact CE-CB 4.49Å; M808-P824 WeakPolarHBondContact CE-O 3.29Å; M808-P824 HydrophobicContact SD-CB 3.84Å
825	W	98.6	Very high	97.6	Very high	24 Å²	24	5.7 Å²	5.7	9%	0.091	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	23.4	176	-61.3	-82.6	0	0	0	112.8	Y346 L605 Q612 F615 F633 M787 V806 M808 A823 S827	Y346-W825 AromaticContact CE1-CE3 3.72Å; Y346-W825 HydrophobicContact CE1-CE3 3.72Å; Y346-W825 AromaticContact CE1-CZ3 3.94Å; Y346-W825 HydrophobicContact CE1-CZ3 3.94Å; Y346-W825 AromaticContact CZ-CZ3 3.88Å; Y346-W825 VanDerWaalsContact OH-CZ3 3.29Å; Y346-W825 WeakPolarHBondContact OH-CZ3 3.36Å; L605-W825 HydrophobicContact CD2-CH2 3.97Å; L605-W825 HydrophobicContact CD2-CZ3 4.36Å; Q612-W825 VanDerWaalsContact NE2-CZ2 3.28Å; F615-W825 AromaticContact CD2-CD1 3.81Å; F615-W825 AromaticContact CD2-CD2 3.95Å; F615-W825 HydrophobicContact CD2-CD2 3.95Å; F615-W825 AromaticContact CD2-CE2 3.87Å; F615-W825 AromaticContact CD2-CG 3.96Å; F615-W825 HydrophobicContact CD2-CG 3.96Å; F615-W825 AromaticContact CD2-NE1 3.73Å; F615-W825 HydrophobicContact CE1-CB 4.28Å; F615-W825 HydrophobicContact CE1-CG 4.4Å; F615-W825 HydrophobicContact CE2-CB 4.08Å; F615-W825 AromaticContact CE2-CD1 3.82Å; F615-W825 AromaticContact CE2-CD2 3.32Å; F615-W825 HydrophobicContact CE2-CD2 3.32Å; F615-W825 AromaticContact CE2-CE2 3.69Å; F615-W825 AromaticContact CE2-CE3 3.68Å; F615-W825 HydrophobicContact CE2-CE3 3.68Å; F615-W825 AromaticContact CE2-CG 3.48Å; F615-W825 HydrophobicContact CE2-CG 3.48Å; F615-W825 VanDerWaalsContact CE2-CG 3.48Å; F615-W825 HydrophobicContact CE2-CZ2 4.39Å; F615-W825 HydrophobicContact CE2-CZ3 4.37Å; F615-W825 AromaticContact CE2-NE1 3.92Å; F615-W825 HydrophobicContact CZ-CB 3.79Å; F615-W825 AromaticContact CZ-CD2 3.93Å; F615-W825 HydrophobicContact CZ-CD2 3.93Å; F615-W825 HydrophobicContact CZ-CE3 4.2Å; F615-W825 AromaticContact CZ-CG 3.72Å; F615-W825 HydrophobicContact CZ-CG 3.72Å; F633-W825 HydrophobicContact CB-CB 4.37Å; F633-W825 CarbonylContact O-C 3.25Å; M787-W825 WeakPolarHBondContact CE-O 3.22Å; V806-W825 HydrophobicContact CG1-CH2 3.68Å; V806-W825 HydrophobicContact CG1-CZ3 3.92Å; M808-W825 HydrophobicContact CE-CZ2 4.27Å; M808-W825 HydrophobicContact SD-CH2 4.18Å; M808-W825 HydrophobicContact SD-CZ2 3.65Å; A823-W825 VanDerWaalsContact C-N 3.28Å; A823-W825 PolarHBondContact O-N 2.93Å; W825-S827 PolarHBondContact O-N 2.77Å
826	G	98.5	Very high	98.2	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.01	3%	0.028	C	C	.	.	S	Bend	trans	60.6	-132	178.4	0	0	0	0	0	113.1	G347 A823 S828	G347-G826 CarbonylContact C-O 3.53Å; A823-G826 PolarHBondContact O-N 2.88Å; A823-G826 VanDerWaalsContact O-N 3.09Å; G826-S828 VanDerWaalsContact C-N 3.28Å; G826-S828 PolarHBondContact O-N 3.38Å
827	S	98.7	Very high	98.4	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.007	2%	0.022	C	C	.	.	S	Bend	trans	-80.5	68.8	179.6	-48.5	0	0	0	0	111.7	G348 M787 W825 A829 I830	G348-S827 VanDerWaalsContact C-CA 3.41Å; G348-S827 CarbonylContact O-C 3.55Å; G348-S827 VanDerWaalsContact O-CA 3.26Å; G348-S827 WeakPolarHBondContact O-CA 3.43Å; M787-S827 WeakPolarHBondContact SD-CB 3.38Å; M787-S827 PolarHBondContact SD-N 3.47Å; W825-S827 PolarHBondContact O-N 2.77Å; S827-A829 VanDerWaalsContact C-N 3.33Å; S827-A829 PolarHBondContact O-N 3.21Å; S827-I830 WeakPolarHBondContact O-CG1 3.46Å; S827-I830 PolarHBondContact O-N 2.64Å
828	S	98.8	Very high	98.6	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.02	C	C	.	.	G	3₁₀ helix	trans	-53.5	-41.2	-170.9	-59	0	0	0	0	114.7	Y346 G348 G826 I830 L831	Y346-S828 WeakPolarHBondContact O-CB 3.41Å; Y346-S828 PolarHBondContact O-OG 2.78Å; G348-S828 PolarHBondContact O-N 2.98Å; G826-S828 VanDerWaalsContact C-N 3.28Å; G826-S828 PolarHBondContact O-N 3.38Å; S828-I830 VanDerWaalsContact C-N 3.26Å; S828-I830 PolarHBondContact O-N 2.73Å; S828-L831 WeakPolarHBondContact O-CB 3.31Å; S828-L831 PolarHBondContact O-N 3.1Å
829	A	97.8	Very high	98.7	Very high	1 Å²	1	3 Å²	3	1%	0.008	1%	0.014	C	C	.	.	G	3₁₀ helix	trans	-72	-11	-171.3	0	0	0	0	0	115.3	C345 G348 I591 Y611 S827 P832	C345-A829 HydrophobicContact CB-CB 3.53Å; C345-A829 PolarHBondContact O-N 2.58Å; G348-A829 PolarHBondContact O-N 2.81Å; I591-A829 WeakPolarHBondContact CG2-O 3.4Å; Y611-A829 WeakPolarHBondContact OH-CA 3.25Å; S827-A829 VanDerWaalsContact C-N 3.33Å; S827-A829 PolarHBondContact O-N 3.21Å; A829-P832 VanDerWaalsContact O-CD 3.26Å; A829-P832 WeakPolarHBondContact O-CD 3.36Å
830	I	98.8	Very high	98.7	Very high	7 Å²	7	2.8 Å²	2.8	4%	0.036	1%	0.013	C	C	.	.	G	3₁₀ helix	trans	-100.2	-4.9	175	54.7	172.8	0	0	0	113.6	P349 I591 I778 P785 M787 S827 S828 I833	P349-I830 HydrophobicContact CB-CD1 4.41Å; P349-I830 HydrophobicContact CG-CD1 4.16Å; P349-I830 HydrophobicContact CG-CG2 4.08Å; I591-I830 HydrophobicContact CG2-CG2 4.32Å; I778-I830 HydrophobicContact CD1-CB 4.19Å; I778-I830 HydrophobicContact CD1-CD1 4.2Å; I778-I830 HydrophobicContact CD1-CG1 4.13Å; I778-I830 VanDerWaalsContact CD1-O 3.31Å; I778-I830 WeakPolarHBondContact CD1-O 3.47Å; I778-I830 HydrophobicContact CG2-CD1 3.98Å; P785-I830 HydrophobicContact CB-CD1 3.78Å; P785-I830 HydrophobicContact CG-CD1 3.96Å; M787-I830 HydrophobicContact CG-CD1 4Å; M787-I830 HydrophobicContact CG-CG1 4.12Å; S827-I830 WeakPolarHBondContact O-CG1 3.46Å; S827-I830 PolarHBondContact O-N 2.64Å; S828-I830 VanDerWaalsContact C-N 3.26Å; S828-I830 PolarHBondContact O-N 2.73Å; I830-I833 HydrophobicContact CB-CD1 4.13Å; I830-I833 HydrophobicContact CG2-CD1 4.27Å; I830-I833 WeakPolarHBondContact O-CB 3.42Å; I830-I833 PolarHBondContact O-N 2.79Å
831	L	98.9	Very high	98.8	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-64.6	-25.9	170	-62.6	178.3	0	0	0	115.2	L614 F615 L618 F633 L772 M787 S828 I833 S834 W835	L614-L831 HydrophobicContact CD2-CB 4.28Å; F615-L831 HydrophobicContact CD1-CD1 4.03Å; F615-L831 HydrophobicContact CE1-CD1 3.82Å; L618-L831 HydrophobicContact CD2-CB 4.05Å; L618-L831 HydrophobicContact CD2-CD2 4.11Å; F633-L831 HydrophobicContact CB-CD1 4.15Å; F633-L831 HydrophobicContact CD1-CD1 3.94Å; F633-L831 HydrophobicContact CD1-CD2 3.97Å; F633-L831 HydrophobicContact CE1-CD2 4.42Å; F633-L831 HydrophobicContact CG-CD1 4.05Å; L772-L831 HydrophobicContact CD1-CD2 3.46Å; L772-L831 VanDerWaalsContact CD1-CD2 3.46Å; M787-L831 HydrophobicContact CB-CD2 4.39Å; M787-L831 HydrophobicContact CE-CD1 4.16Å; M787-L831 HydrophobicContact CE-CD2 3.84Å; M787-L831 HydrophobicContact CE-CG 4.17Å; M787-L831 HydrophobicContact CG-CD2 4.05Å; S828-L831 WeakPolarHBondContact O-CB 3.31Å; S828-L831 PolarHBondContact O-N 3.1Å; L831-I833 PolarHBondContact O-N 2.81Å; L831-S834 PolarHBondContact O-N 3.03Å; L831-W835 PolarHBondContact O-N 3.41Å
832	P	98.9	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-57.5	-31.4	172	-27.3	36.2	0	0	0	114.8	L140 P590 F596 L614 A829 W835 A836	L140-P832 HydrophobicContact CD2-CB 4.1Å; P590-P832 HydrophobicContact CB-CB 4.06Å; F596-P832 HydrophobicContact CD1-CG 4.48Å; F596-P832 HydrophobicContact CD2-CG 4.11Å; F596-P832 HydrophobicContact CE1-CG 4.42Å; F596-P832 HydrophobicContact CE2-CB 4.42Å; F596-P832 HydrophobicContact CE2-CG 4.03Å; F596-P832 HydrophobicContact CG-CG 4.34Å; F596-P832 HydrophobicContact CZ-CG 4.19Å; L614-P832 HydrophobicContact CD2-CG 3.86Å; A829-P832 VanDerWaalsContact O-CD 3.26Å; A829-P832 WeakPolarHBondContact O-CD 3.36Å; P832-W835 PolarHBondContact O-N 3.07Å; P832-A836 WeakPolarHBondContact O-CB 3.32Å; P832-A836 PolarHBondContact O-N 2.91Å
833	I	98.9	Very high	98.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-58.4	-58.3	177.2	-71	154.4	0	0	0	110.4	E587 L588 I591 C777 I778 I830 L831 W835 A836 Y837	E587-I833 HydrophobicContact CB-CB 4.36Å; E587-I833 HydrophobicContact CB-CG1 4.41Å; E587-I833 HydrophobicContact CB-CG2 4.01Å; E587-I833 HydrophobicContact CG-CG2 4.47Å; E587-I833 WeakPolarHBondContact O-CG1 3.48Å; L588-I833 HydrophobicContact CD2-CD1 3.96Å; L588-I833 HydrophobicContact CD2-CG1 4.26Å; I591-I833 HydrophobicContact CG2-CD1 3.65Å; I591-I833 HydrophobicContact CG2-CG1 3.86Å; C777-I833 VanDerWaalsContact C-CG2 3.43Å; C777-I833 HydrophobicContact CB-CG2 4.15Å; C777-I833 WeakPolarHBondContact O-CG2 3.03Å; I778-I833 HydrophobicContact CB-CG2 4.48Å; I778-I833 HydrophobicContact CG1-CB 4.02Å; I778-I833 HydrophobicContact CG1-CD1 4.19Å; I778-I833 HydrophobicContact CG1-CG2 3.87Å; I830-I833 HydrophobicContact CB-CD1 4.13Å; I830-I833 HydrophobicContact CG2-CD1 4.27Å; I830-I833 WeakPolarHBondContact O-CB 3.42Å; I830-I833 PolarHBondContact O-N 2.79Å; L831-I833 PolarHBondContact O-N 2.81Å; I833-W835 VanDerWaalsContact C-N 3.26Å; I833-W835 PolarHBondContact O-N 2.99Å; I833-A836 PolarHBondContact O-N 2.78Å; I833-A836 VanDerWaalsContact O-N 3.08Å; I833-Y837 PolarHBondContact O-N 3.41Å
834	S	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65	-30.7	-179.4	-55.8	0	0	0	0	112.4	F776 L831 I838	F776-S834 WeakPolarHBondContact CB-OG 3.41Å; F776-S834 WeakPolarHBondContact O-CA 3.4Å; F776-S834 PolarHBondContact O-OG 3.29Å; L831-S834 PolarHBondContact O-N 3.03Å; S834-I838 VanDerWaalsContact O-CB 3.23Å; S834-I838 WeakPolarHBondContact O-CB 3.48Å; S834-I838 WeakPolarHBondContact O-CD1 3.3Å; S834-I838 WeakPolarHBondContact O-CG1 3.17Å; S834-I838 PolarHBondContact O-N 3.09Å; S834-I838 VanDerWaalsContact O-N 3.1Å
835	W	98.9	Very high	98.7	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.015	6%	0.056	C	C	.	.	H	α-helix	trans	-65.1	-44.7	171.4	179.5	99.8	0	0	0	111.7	I131 V136 A139 L140 I143 L614 L831 P832 I833 I838 K839	I131-W835 HydrophobicContact CD1-CH2 4.43Å; V136-W835 HydrophobicContact CG2-CZ3 4.03Å; A139-W835 HydrophobicContact CB-CH2 4.38Å; L140-W835 HydrophobicContact CB-CE3 4.47Å; L140-W835 HydrophobicContact CB-CH2 4.19Å; L140-W835 HydrophobicContact CB-CZ3 3.76Å; L140-W835 HydrophobicContact CD1-CD2 4.29Å; L140-W835 HydrophobicContact CD1-CE3 3.84Å; L140-W835 HydrophobicContact CD1-CH2 4.35Å; L140-W835 HydrophobicContact CD1-CZ3 3.9Å; L140-W835 HydrophobicContact CD2-CE3 4.35Å; L140-W835 HydrophobicContact CD2-CZ3 4.38Å; L140-W835 HydrophobicContact CG-CE3 4.45Å; L140-W835 HydrophobicContact CG-CZ3 4.22Å; I143-W835 HydrophobicContact CD1-CH2 4.04Å; I143-W835 HydrophobicContact CD1-CZ2 3.41Å; I143-W835 VanDerWaalsContact CD1-CZ2 3.41Å; L614-W835 HydrophobicContact CD1-CB 3.77Å; L614-W835 HydrophobicContact CD1-CD2 4.06Å; L614-W835 HydrophobicContact CD1-CG 3.54Å; L831-W835 PolarHBondContact O-N 3.41Å; P832-W835 PolarHBondContact O-N 3.07Å; I833-W835 VanDerWaalsContact C-N 3.26Å; I833-W835 PolarHBondContact O-N 2.99Å; W835-I838 PolarHBondContact O-N 3.04Å; W835-K839 HydrophobicContact CD2-CG 4.02Å; W835-K839 HydrophobicContact CE3-CG 4.38Å; W835-K839 HydrophobicContact CH2-CG 4.27Å; W835-K839 HydrophobicContact CZ2-CG 3.93Å; W835-K839 HydrophobicContact CZ3-CG 4.48Å; W835-K839 WeakPolarHBondContact O-CB 3.26Å; W835-K839 VanDerWaalsContact O-CG 3.31Å; W835-K839 WeakPolarHBondContact O-CG 3.44Å; W835-K839 PolarHBondContact O-N 2.9Å
836	A	98.9	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-64.5	-50.4	-179.6	0	0	0	0	0	110.9	V136 E587 P832 I833 I838 K839 M840	V136-A836 HydrophobicContact CG2-CB 4.12Å; E587-A836 HydrophobicContact CB-CB 4.43Å; E587-A836 HydrophobicContact CG-CB 3.92Å; P832-A836 WeakPolarHBondContact O-CB 3.32Å; P832-A836 PolarHBondContact O-N 2.91Å; I833-A836 PolarHBondContact O-N 2.78Å; I833-A836 VanDerWaalsContact O-N 3.08Å; A836-I838 PolarHBondContact O-N 2.86Å; A836-K839 PolarHBondContact O-N 3.4Å; A836-M840 HydrophobicContact CB-CE 4.36Å; A836-M840 WeakPolarHBondContact O-CB 3.39Å; A836-M840 WeakPolarHBondContact O-CG 3.35Å; A836-M840 PolarHBondContact O-N 2.88Å
837	Y	98.9	Very high	98.7	Very high	4 Å²	4	12 Å²	12	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-51.2	-53.2	173.4	173.3	-114.6	0	0	0	112	F83 H87 K581 F776 C777 I833 K839 M840 M841 L846 E929	F83-Y837 HydrophobicContact CE1-CD2 4.32Å; H87-Y837 AromaticContact CD2-CE2 3.84Å; H87-Y837 AromaticContact CE1-CE2 3.47Å; H87-Y837 VanDerWaalsContact CE1-CE2 3.47Å; H87-Y837 WeakPolarHBondContact CE1-CE2 3.45Å; H87-Y837 AromaticContact CG-CE2 3.88Å; H87-Y837 AromaticContact ND1-CE2 3.64Å; H87-Y837 AromaticContact NE2-CE2 3.58Å; K581-Y837 PolarHBondContact NZ-OH 3.32Å; F776-Y837 HydrophobicContact CB-CD1 4.37Å; F776-Y837 HydrophobicContact CD1-CD1 4.06Å; F776-Y837 AromaticContact CD1-CE1 4Å; F776-Y837 HydrophobicContact CD1-CE1 4Å; C777-Y837 HydrophobicContact CB-CG 4.44Å; C777-Y837 WeakPolarHBondContact SG-CD2 3.47Å; C777-Y837 VanDerWaalsContact SG-CE2 3.56Å; C777-Y837 VanDerWaalsContact SG-CG 3.51Å; I833-Y837 PolarHBondContact O-N 3.41Å; Y837-K839 VanDerWaalsContact C-N 3.32Å; Y837-K839 PolarHBondContact O-N 3.47Å; Y837-M840 PolarHBondContact O-N 3.41Å; Y837-M841 HydrophobicContact CD2-CG 3.76Å; Y837-M841 HydrophobicContact CE2-CE 3.97Å; Y837-M841 HydrophobicContact CE2-CG 3.62Å; Y837-M841 HydrophobicContact CE2-SD 4.36Å; Y837-M841 VanDerWaalsContact O-CB 3.28Å; Y837-M841 WeakPolarHBondContact O-CB 3.49Å; Y837-M841 VanDerWaalsContact O-CG 3.23Å; Y837-M841 WeakPolarHBondContact O-CG 3.5Å; Y837-M841 PolarHBondContact O-N 2.52Å; Y837-L846 HydrophobicContact CD1-CD2 4.02Å; Y837-L846 HydrophobicContact CE1-CD2 3.4Å; Y837-L846 VanDerWaalsContact CE1-CD2 3.4Å; Y837-L846 HydrophobicContact CE2-CD2 4.44Å; Y837-E929 PolarHBondContact OH-OE1 2.81Å
838	I	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-37.5	-179.1	-75.1	173.2	0	0	0	112.2	M127 L618 D621 L622 L625 F776 S834 W835 A836 G842 L846	M127-I838 HydrophobicContact CE-CG2 3.53Å; L618-I838 HydrophobicContact CD1-CD1 3.78Å; D621-I838 HydrophobicContact CB-CG2 3.74Å; L622-I838 HydrophobicContact CD2-CD1 3.77Å; L622-I838 HydrophobicContact CG-CD1 4.45Å; L625-I838 HydrophobicContact CD1-CD1 4.25Å; F776-I838 HydrophobicContact CD1-CD1 3.88Å; F776-I838 HydrophobicContact CD1-CG1 4.06Å; F776-I838 HydrophobicContact CE1-CD1 4.16Å; F776-I838 HydrophobicContact CE1-CG1 4.44Å; S834-I838 VanDerWaalsContact O-CB 3.23Å; S834-I838 WeakPolarHBondContact O-CB 3.48Å; S834-I838 WeakPolarHBondContact O-CD1 3.3Å; S834-I838 WeakPolarHBondContact O-CG1 3.17Å; S834-I838 PolarHBondContact O-N 3.09Å; S834-I838 VanDerWaalsContact O-N 3.1Å; W835-I838 PolarHBondContact O-N 3.04Å; A836-I838 PolarHBondContact O-N 2.86Å; I838-G842 PolarHBondContact O-N 3.39Å; I838-G842 VanDerWaalsContact O-N 3.08Å; I838-L846 HydrophobicContact CG1-CD1 4.32Å; I838-L846 HydrophobicContact CG2-CD1 4.44Å
839	K	98.9	Very high	98.7	Very high	12 Å²	12	13.9 Å²	13.9	5%	0.052	7%	0.068	C	C	.	.	H	α-helix	trans	-82.1	-27.7	-179.6	-68.3	-62.5	172.2	-156.3	0	114.4	D128 P130 I131 D621 W835 A836 Y837	D128-K839 IonicContact OD2-NZ 2.81Å; D128-K839 PolarHBondContact OD2-NZ 2.78Å; P130-K839 WeakPolarHBondContact CA-O 3.49Å; I131-K839 HydrophobicContact CD1-CB 3.96Å; I131-K839 HydrophobicContact CG1-CB 4.32Å; I131-K839 PolarHBondContact N-O 3.04Å; D621-K839 IonicContact OD1-NZ 3.28Å; D621-K839 PolarHBondContact OD1-NZ 2.92Å; D621-K839 WeakPolarHBondContact OD2-CE 3.39Å; D621-K839 IonicContact OD2-NZ 3.61Å; D621-K839 PolarHBondContact OD2-NZ 3.44Å; W835-K839 HydrophobicContact CD2-CG 4.02Å; W835-K839 HydrophobicContact CE3-CG 4.38Å; W835-K839 HydrophobicContact CH2-CG 4.27Å; W835-K839 HydrophobicContact CZ2-CG 3.93Å; W835-K839 HydrophobicContact CZ3-CG 4.48Å; W835-K839 WeakPolarHBondContact O-CB 3.26Å; W835-K839 VanDerWaalsContact O-CG 3.31Å; W835-K839 WeakPolarHBondContact O-CG 3.44Å; W835-K839 PolarHBondContact O-N 2.9Å; A836-K839 PolarHBondContact O-N 3.4Å; Y837-K839 VanDerWaalsContact C-N 3.32Å; Y837-K839 PolarHBondContact O-N 3.47Å
840	M	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-76.5	-43.2	173.5	-69.1	-171.9	-64.9	0	0	111.9	F83 P130 I131 E133 V136 E587 A836 Y837	F83-M840 HydrophobicContact CB-CB 3.72Å; F83-M840 HydrophobicContact CB-CG 4.49Å; F83-M840 HydrophobicContact CB-SD 4.36Å; F83-M840 HydrophobicContact CD1-CB 3.66Å; F83-M840 HydrophobicContact CD1-CE 3.82Å; F83-M840 HydrophobicContact CD1-SD 4.26Å; F83-M840 HydrophobicContact CD2-CE 3.97Å; F83-M840 HydrophobicContact CD2-SD 3.87Å; F83-M840 HydrophobicContact CE1-CE 3.65Å; F83-M840 HydrophobicContact CE2-CE 3.79Å; F83-M840 HydrophobicContact CE2-SD 4.24Å; F83-M840 HydrophobicContact CG-CB 3.77Å; F83-M840 HydrophobicContact CG-CE 3.99Å; F83-M840 HydrophobicContact CG-CG 4.42Å; F83-M840 HydrophobicContact CG-SD 3.88Å; F83-M840 HydrophobicContact CZ-CE 3.64Å; P130-M840 VanDerWaalsContact CB-O 3.27Å; P130-M840 WeakPolarHBondContact CB-O 3.45Å; I131-M840 WeakPolarHBondContact O-CA 3.12Å; E133-M840 HydrophobicContact CB-SD 4.1Å; E133-M840 HydrophobicContact CG-SD 4.04Å; V136-M840 HydrophobicContact CB-CG 3.85Å; V136-M840 HydrophobicContact CB-SD 3.93Å; V136-M840 HydrophobicContact CG1-CG 4.3Å; V136-M840 HydrophobicContact CG1-SD 3.7Å; V136-M840 HydrophobicContact CG2-CG 3.68Å; V136-M840 HydrophobicContact CG2-SD 4.1Å; E587-M840 HydrophobicContact CG-CE 3.9Å; A836-M840 HydrophobicContact CB-CE 4.36Å; A836-M840 WeakPolarHBondContact O-CB 3.39Å; A836-M840 WeakPolarHBondContact O-CG 3.35Å; A836-M840 PolarHBondContact O-N 2.88Å; Y837-M840 PolarHBondContact O-N 3.41Å
841	M	98.9	Very high	98.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-74.5	-39.6	-178.8	-66.5	-68.7	-94.4	0	0	113	F83 A84 H87 I88 Y837 G845 L846 A849	F83-M841 HydrophobicContact CD1-CG 4Å; F83-M841 HydrophobicContact CD1-SD 3.74Å; F83-M841 HydrophobicContact CE1-CG 4.39Å; F83-M841 HydrophobicContact CE1-SD 4.27Å; A84-M841 HydrophobicContact CB-CE 4.45Å; A84-M841 HydrophobicContact CB-SD 3.96Å; H87-M841 HydrophobicContact CB-CE 3.97Å; H87-M841 HydrophobicContact CB-SD 3.95Å; I88-M841 HydrophobicContact CD1-CE 4.41Å; I88-M841 HydrophobicContact CG1-CE 4.41Å; Y837-M841 HydrophobicContact CD2-CG 3.76Å; Y837-M841 HydrophobicContact CE2-CE 3.97Å; Y837-M841 HydrophobicContact CE2-CG 3.62Å; Y837-M841 HydrophobicContact CE2-SD 4.36Å; Y837-M841 VanDerWaalsContact O-CB 3.28Å; Y837-M841 WeakPolarHBondContact O-CB 3.49Å; Y837-M841 VanDerWaalsContact O-CG 3.23Å; Y837-M841 WeakPolarHBondContact O-CG 3.5Å; Y837-M841 PolarHBondContact O-N 2.52Å; M841-G845 WeakPolarHBondContact CE-O 3.43Å; M841-G845 WeakPolarHBondContact O-CA 3.25Å; M841-G845 PolarHBondContact O-N 3.46Å; M841-L846 HydrophobicContact CB-CD2 3.71Å; M841-L846 HydrophobicContact CB-CG 3.68Å; M841-L846 HydrophobicContact CG-CD2 4.17Å; M841-A849 HydrophobicContact CE-CB 3.8Å
842	G	98.6	Very high	98.8	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	55.7	-166.5	-175.2	0	0	0	0	0	113.8	I838 K844 L846	I838-G842 PolarHBondContact O-N 3.39Å; I838-G842 VanDerWaalsContact O-N 3.08Å; G842-K844 PolarHBondContact O-N 2.64Å; G842-L846 VanDerWaalsContact O-CB 3.27Å; G842-L846 WeakPolarHBondContact O-CB 3.29Å; G842-L846 WeakPolarHBondContact O-CG 3.37Å; G842-L846 PolarHBondContact O-N 2.92Å; G842-L846 VanDerWaalsContact O-N 3.15Å
843	S	98.4	Very high	98.8	Very high	20 Å²	20	15.7 Å²	15.7	14%	0.14	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-32.1	-177.6	173.9	0	0	0	0	113.7	L125 T847	L125-S843 WeakPolarHBondContact CB-OG 3.15Å; L125-S843 PolarHBondContact N-OG 2.61Å; L125-S843 PolarHBondContact O-OG 3.31Å; S843-T847 PolarHBondContact O-N 2.87Å; S843-T847 PolarHBondContact O-OG1 3.16Å
844	K	98.1	Very high	98.8	Very high	169 Å²	169	15.7 Å²	15.7	74%	0.735	8%	0.076	S	C	*	.	H	α-helix	trans	-81.6	-54.3	-175	-69.9	-177.3	-178.3	174.8	0	111.5	G842 L846 T847 H848	G842-K844 PolarHBondContact O-N 2.64Å; K844-L846 VanDerWaalsContact C-N 3.32Å; K844-L846 PolarHBondContact O-N 3.48Å; K844-T847 PolarHBondContact O-N 3.02Å; K844-H848 WeakPolarHBondContact O-CB 3.23Å; K844-H848 PolarHBondContact O-N 2.91Å
845	G	98.6	Very high	98.8	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-59.1	-42.1	179.1	0	0	0	0	0	112.1	M841 T847 H848 A849	M841-G845 WeakPolarHBondContact CE-O 3.43Å; M841-G845 WeakPolarHBondContact O-CA 3.25Å; M841-G845 PolarHBondContact O-N 3.46Å; G845-T847 VanDerWaalsContact C-N 3.34Å; G845-T847 PolarHBondContact O-N 2.6Å; G845-H848 PolarHBondContact O-N 2.92Å; G845-A849 WeakPolarHBondContact O-CB 3.21Å; G845-A849 PolarHBondContact O-N 3.25Å
846	L	98.9	Very high	98.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-33.9	178.1	-69.3	179.2	0	0	0	113.4	M127 L625 V755 Y837 I838 M841 G842 K844 T850	M127-L846 HydrophobicContact CE-CD1 3.6Å; M127-L846 HydrophobicContact SD-CD1 3.84Å; L625-L846 HydrophobicContact CD1-CD1 4.1Å; L625-L846 HydrophobicContact CD2-CD1 4.07Å; V755-L846 HydrophobicContact CG1-CB 3.82Å; Y837-L846 HydrophobicContact CD1-CD2 4.02Å; Y837-L846 HydrophobicContact CE1-CD2 3.4Å; Y837-L846 VanDerWaalsContact CE1-CD2 3.4Å; Y837-L846 HydrophobicContact CE2-CD2 4.44Å; I838-L846 HydrophobicContact CG1-CD1 4.32Å; I838-L846 HydrophobicContact CG2-CD1 4.44Å; M841-L846 HydrophobicContact CB-CD2 3.71Å; M841-L846 HydrophobicContact CB-CG 3.68Å; M841-L846 HydrophobicContact CG-CD2 4.17Å; G842-L846 VanDerWaalsContact O-CB 3.27Å; G842-L846 WeakPolarHBondContact O-CB 3.29Å; G842-L846 WeakPolarHBondContact O-CG 3.37Å; G842-L846 PolarHBondContact O-N 2.92Å; G842-L846 VanDerWaalsContact O-N 3.15Å; K844-L846 VanDerWaalsContact C-N 3.32Å; K844-L846 PolarHBondContact O-N 3.48Å; L846-T850 PolarHBondContact O-OG1 3.29Å; L846-T850 VanDerWaalsContact O-OG1 3.08Å
847	T	98.8	Very high	98.8	Very high	25 Å²	25	15.4 Å²	15.4	15%	0.153	8%	0.075	C	C	.	.	H	α-helix	trans	-71.3	-45.5	173.5	-52.1	0	0	0	0	109.9	L757 S843 K844 G845 A849 T850 E851	L757-T847 HydrophobicContact CD2-CG2 3.85Å; S843-T847 PolarHBondContact O-N 2.87Å; S843-T847 PolarHBondContact O-OG1 3.16Å; K844-T847 PolarHBondContact O-N 3.02Å; G845-T847 VanDerWaalsContact C-N 3.34Å; G845-T847 PolarHBondContact O-N 2.6Å; T847-A849 PolarHBondContact O-N 2.97Å; T847-T850 WeakPolarHBondContact O-CB 3.28Å; T847-T850 PolarHBondContact O-N 3.13Å; T847-E851 WeakPolarHBondContact O-CG 3.21Å; T847-E851 PolarHBondContact O-N 3.15Å
848	H	98.7	Very high	98.8	Very high	42 Å²	42	15.4 Å²	15.4	19%	0.194	8%	0.075	C	C	.	.	H	α-helix	trans	-68.5	-32.4	-176.9	-161.3	49.8	0	0	0	113.5	I88 K95 K844 G845 E851 V852	I88-H848 HydrophobicContact CD1-CB 4.15Å; K95-H848 PolarHBondContact NZ-NE2 3.07Å; K844-H848 WeakPolarHBondContact O-CB 3.23Å; K844-H848 PolarHBondContact O-N 2.91Å; G845-H848 PolarHBondContact O-N 2.92Å; H848-E851 IonicContact CE1-OE2 3.65Å; H848-E851 IonicContact CG-OE2 2.69Å; H848-E851 IonicContact ND1-OE2 3.14Å; H848-E851 PolarHBondContact ND1-OE2 2.79Å; H848-E851 WeakPolarHBondContact O-CB 3.47Å; H848-E851 PolarHBondContact O-N 2.65Å; H848-V852 WeakPolarHBondContact O-CB 3.04Å; H848-V852 WeakPolarHBondContact O-CG2 3.4Å; H848-V852 PolarHBondContact O-N 2.82Å
849	A	98.9	Very high	98.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.2	-51.3	170	0	0	0	0	0	111	I88 M841 G845 T847 E851 V852 A853 E929	I88-A849 HydrophobicContact CD1-CB 4.29Å; I88-A849 HydrophobicContact CG1-CB 4.46Å; M841-A849 HydrophobicContact CE-CB 3.8Å; G845-A849 WeakPolarHBondContact O-CB 3.21Å; G845-A849 PolarHBondContact O-N 3.25Å; T847-A849 PolarHBondContact O-N 2.97Å; A849-E851 VanDerWaalsContact C-N 3.33Å; A849-E851 PolarHBondContact O-N 2.64Å; A849-V852 PolarHBondContact O-N 2.94Å; A849-A853 WeakPolarHBondContact O-CB 3.31Å; A849-A853 PolarHBondContact O-N 2.9Å; A849-E929 HydrophobicContact CB-CB 4.46Å; A849-E929 HydrophobicContact CB-CG 3.81Å; A849-E929 VanDerWaalsContact O-CB 3.28Å; A849-E929 WeakPolarHBondContact O-CB 3.43Å
850	T	98.9	Very high	98.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176.3	-55.1	0	0	0	0	112.2	N752 A753 V755 L757 L846 T847 I854	N752-T850 WeakPolarHBondContact O-CG2 3.41Å; A753-T850 WeakPolarHBondContact O-CG2 3.16Å; V755-T850 WeakPolarHBondContact CB-OG1 3.35Å; V755-T850 VanDerWaalsContact O-CB 3.25Å; V755-T850 WeakPolarHBondContact O-CB 3.06Å; V755-T850 PolarHBondContact O-OG1 3.24Å; L757-T850 HydrophobicContact CD1-CG2 3.59Å; L757-T850 HydrophobicContact CG-CG2 3.88Å; L846-T850 PolarHBondContact O-OG1 3.29Å; L846-T850 VanDerWaalsContact O-OG1 3.08Å; T847-T850 WeakPolarHBondContact O-CB 3.28Å; T847-T850 PolarHBondContact O-N 3.13Å; T850-I854 WeakPolarHBondContact O-CG1 3.4Å; T850-I854 PolarHBondContact O-N 3.13Å
851	E	98.9	Very high	98.8	Very high	43 Å²	43	15.2 Å²	15.2	20%	0.201	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-44.3	175.4	-70.8	178.5	153.6	0	0	112.6	V107 I111 L757 T847 H848 A849 I854 L855	V107-E851 HydrophobicContact CG1-CB 3.79Å; V107-E851 HydrophobicContact CG1-CG 4.39Å; I111-E851 HydrophobicContact CD1-CG 4.47Å; I111-E851 HydrophobicContact CG1-CG 4.14Å; L757-E851 HydrophobicContact CD2-CG 4.09Å; T847-E851 WeakPolarHBondContact O-CG 3.21Å; T847-E851 PolarHBondContact O-N 3.15Å; H848-E851 IonicContact CE1-OE2 3.65Å; H848-E851 IonicContact CG-OE2 2.69Å; H848-E851 IonicContact ND1-OE2 3.14Å; H848-E851 PolarHBondContact ND1-OE2 2.79Å; H848-E851 WeakPolarHBondContact O-CB 3.47Å; H848-E851 PolarHBondContact O-N 2.65Å; A849-E851 VanDerWaalsContact C-N 3.33Å; A849-E851 PolarHBondContact O-N 2.64Å; E851-I854 PolarHBondContact O-N 2.62Å; E851-L855 PolarHBondContact O-N 3.37Å
852	V	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-77.6	-32.9	-177.7	177.6	0	0	0	0	111.9	I88 P90 K95 H848 A849 I854 L855 N856 E929	I88-V852 HydrophobicContact CG2-CB 3.96Å; I88-V852 HydrophobicContact CG2-CG1 3.7Å; I88-V852 HydrophobicContact CG2-CG2 4.02Å; P90-V852 HydrophobicContact CB-CG1 4.47Å; P90-V852 HydrophobicContact CG-CG1 3.99Å; K95-V852 HydrophobicContact CD-CG2 3.76Å; H848-V852 WeakPolarHBondContact O-CB 3.04Å; H848-V852 WeakPolarHBondContact O-CG2 3.4Å; H848-V852 PolarHBondContact O-N 2.82Å; A849-V852 PolarHBondContact O-N 2.94Å; V852-I854 VanDerWaalsContact C-N 3.25Å; V852-I854 PolarHBondContact O-N 2.78Å; V852-L855 WeakPolarHBondContact O-CB 3.49Å; V852-L855 PolarHBondContact O-N 3.01Å; V852-L855 VanDerWaalsContact O-N 3.13Å; V852-N856 WeakPolarHBondContact CG1-OD1 3.35Å; V852-N856 VanDerWaalsContact O-CB 3.29Å; V852-N856 WeakPolarHBondContact O-CB 3.49Å; V852-N856 PolarHBondContact O-N 2.96Å; V852-N856 PolarHBondContact O-OD1 2.87Å; V852-N856 VanDerWaalsContact O-OD1 3.1Å; V852-E929 HydrophobicContact CB-CB 4.27Å; V852-E929 HydrophobicContact CG1-CB 4.38Å
853	A	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-39.4	170.2	0	0	0	0	0	112	A849 A857 H881 E929	A849-A853 WeakPolarHBondContact O-CB 3.31Å; A849-A853 PolarHBondContact O-N 2.9Å; A853-A857 WeakPolarHBondContact O-CB 3.44Å; A853-A857 PolarHBondContact O-N 3.01Å; A853-H881 HydrophobicContact CB-CB 4.37Å; A853-E929 HydrophobicContact CB-CB 4.18Å
854	I	98.9	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.4	-41.3	174.3	-66	169.1	0	0	0	111	L110 I111 T114 V115 F726 A753 L757 T850 E851 V852 N858	L110-I854 HydrophobicContact CD2-CG2 4.12Å; L110-I854 HydrophobicContact CG-CG2 4.26Å; I111-I854 HydrophobicContact CD1-CB 4.26Å; I111-I854 HydrophobicContact CD1-CD1 3.81Å; I111-I854 HydrophobicContact CD1-CG2 4.11Å; T114-I854 HydrophobicContact CG2-CG2 3.89Å; V115-I854 HydrophobicContact CG2-CD1 4.45Å; F726-I854 HydrophobicContact CE2-CD1 4.33Å; F726-I854 HydrophobicContact CZ-CD1 4.5Å; A753-I854 HydrophobicContact CB-CD1 4.38Å; A753-I854 HydrophobicContact CB-CG1 4.44Å; L757-I854 HydrophobicContact CD1-CD1 3.87Å; T850-I854 WeakPolarHBondContact O-CG1 3.4Å; T850-I854 PolarHBondContact O-N 3.13Å; E851-I854 PolarHBondContact O-N 2.62Å; V852-I854 VanDerWaalsContact C-N 3.25Å; V852-I854 PolarHBondContact O-N 2.78Å; I854-N858 WeakPolarHBondContact O-CB 3.27Å; I854-N858 PolarHBondContact O-N 2.92Å; I854-N858 PolarHBondContact O-ND2 3.17Å
855	L	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.8	-47.1	175.5	-178.6	63.4	0	0	0	112.2	K95 M98 L99 L102 V107 L110 E851 V852 N858 Y859	K95-L855 HydrophobicContact CB-CD2 3.94Å; K95-L855 HydrophobicContact CG-CD2 3.86Å; M98-L855 HydrophobicContact CB-CD1 4.36Å; M98-L855 HydrophobicContact CB-CG 4.48Å; M98-L855 HydrophobicContact CE-CD2 4.45Å; M98-L855 HydrophobicContact CE-CG 3.99Å; L99-L855 HydrophobicContact CD2-CD1 3.87Å; L99-L855 HydrophobicContact CG-CD1 4.05Å; L102-L855 HydrophobicContact CD1-CD1 3.69Å; V107-L855 HydrophobicContact CG2-CD2 4.24Å; L110-L855 HydrophobicContact CD2-CB 4.01Å; L110-L855 HydrophobicContact CD2-CD1 3.82Å; E851-L855 PolarHBondContact O-N 3.37Å; V852-L855 WeakPolarHBondContact O-CB 3.49Å; V852-L855 PolarHBondContact O-N 3.01Å; V852-L855 VanDerWaalsContact O-N 3.13Å; L855-N858 PolarHBondContact O-N 2.78Å; L855-Y859 VanDerWaalsContact O-CB 3.29Å; L855-Y859 WeakPolarHBondContact O-CB 3.24Å; L855-Y859 PolarHBondContact O-N 2.94Å
856	N	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-51.2	-179.7	-74.1	15.4	0	0	0	111.2	P90 M98 V852 N858 Y859 M860 P927 T928 E931 M936	P90-N856 WeakPolarHBondContact CG-OD1 3.49Å; M98-N856 WeakPolarHBondContact CE-OD1 3.48Å; V852-N856 WeakPolarHBondContact CG1-OD1 3.35Å; V852-N856 VanDerWaalsContact O-CB 3.29Å; V852-N856 WeakPolarHBondContact O-CB 3.49Å; V852-N856 PolarHBondContact O-N 2.96Å; V852-N856 PolarHBondContact O-OD1 2.87Å; V852-N856 VanDerWaalsContact O-OD1 3.1Å; N856-N858 PolarHBondContact O-N 2.98Å; N856-Y859 PolarHBondContact O-N 2.99Å; N856-M860 WeakPolarHBondContact O-CG 3.41Å; N856-M860 PolarHBondContact O-N 2.88Å; N856-P927 HydrophobicContact CB-CB 4.31Å; N856-P927 HydrophobicContact CB-CG 3.68Å; N856-T928 WeakPolarHBondContact CB-O 3.39Å; N856-T928 PolarHBondContact ND2-O 2.62Å; N856-E931 PolarHBondContact ND2-O 3.31Å; N856-M936 HydrophobicContact CB-CE 4.03Å; N856-M936 HydrophobicContact CB-SD 3.44Å; N856-M936 WeakPolarHBondContact CB-SD 3.42Å; N856-M936 VanDerWaalsContact CG-CE 3.47Å; N856-M936 VanDerWaalsContact CG-SD 3.57Å
857	A	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-43.5	178.3	0	0	0	0	0	113	A853 A861 V879 A880 H881 F883 P927	A853-A857 WeakPolarHBondContact O-CB 3.44Å; A853-A857 PolarHBondContact O-N 3.01Å; A857-A861 WeakPolarHBondContact O-CB 3.29Å; A857-A861 PolarHBondContact O-N 2.92Å; A857-V879 HydrophobicContact CB-CG2 4.37Å; A857-A880 WeakPolarHBondContact CB-O 3.32Å; A857-H881 WeakPolarHBondContact CB-O 3.24Å; A857-F883 HydrophobicContact CB-CD1 4.32Å; A857-F883 WeakPolarHBondContact O-CD1 3.4Å; A857-F883 WeakPolarHBondContact O-CE1 3.45Å; A857-P927 HydrophobicContact CB-CG 4.33Å
858	N	98.9	Very high	98.6	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-39.4	177.3	-79.9	-83.9	0	0	0	112.2	L102 L110 I854 L855 N856 A861 K862 F878 V879	L102-N858 HydrophobicContact CD1-CB 4.24Å; L102-N858 HydrophobicContact CD2-CB 4.04Å; L110-N858 HydrophobicContact CD1-CB 4.39Å; I854-N858 WeakPolarHBondContact O-CB 3.27Å; I854-N858 PolarHBondContact O-N 2.92Å; I854-N858 PolarHBondContact O-ND2 3.17Å; L855-N858 PolarHBondContact O-N 2.78Å; N856-N858 PolarHBondContact O-N 2.98Å; N858-A861 PolarHBondContact O-N 3.12Å; N858-K862 WeakPolarHBondContact O-CB 3.28Å; N858-K862 PolarHBondContact O-N 3.39Å; N858-F878 WeakPolarHBondContact OD1-CA 3.35Å; N858-F878 WeakPolarHBondContact OD1-CB 3.36Å; N858-F878 WeakPolarHBondContact OD1-CD1 3.25Å; N858-V879 HydrophobicContact CB-CG2 4.43Å; N858-V879 PolarHBondContact ND2-O 3.09Å; N858-V879 WeakPolarHBondContact OD1-CG2 2.93Å; N858-V879 PolarHBondContact OD1-N 3.44Å
859	Y	98.9	Very high	98.6	Very high	5 Å²	5	27 Å²	27	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-49	176	173.6	-105.8	0	0	0	111.9	M98 V101 L855 N856 K862 R863 K933 M936 D937	M98-Y859 HydrophobicContact CB-CD2 3.62Å; M98-Y859 HydrophobicContact CB-CE2 4.1Å; M98-Y859 HydrophobicContact CB-CG 4.01Å; M98-Y859 HydrophobicContact CE-CD1 3.78Å; M98-Y859 HydrophobicContact CE-CD2 4.4Å; M98-Y859 HydrophobicContact CE-CG 3.64Å; M98-Y859 HydrophobicContact CG-CD1 4.09Å; M98-Y859 HydrophobicContact CG-CD2 3.58Å; M98-Y859 HydrophobicContact CG-CE1 4.27Å; M98-Y859 HydrophobicContact CG-CE2 3.74Å; M98-Y859 HydrophobicContact CG-CG 3.75Å; V101-Y859 HydrophobicContact CB-CD2 4.17Å; V101-Y859 HydrophobicContact CB-CE2 3.97Å; V101-Y859 HydrophobicContact CG1-CD2 4.01Å; V101-Y859 HydrophobicContact CG1-CE2 3.92Å; V101-Y859 HydrophobicContact CG2-CE2 4.1Å; L855-Y859 VanDerWaalsContact O-CB 3.29Å; L855-Y859 WeakPolarHBondContact O-CB 3.24Å; L855-Y859 PolarHBondContact O-N 2.94Å; N856-Y859 PolarHBondContact O-N 2.99Å; Y859-K862 WeakPolarHBondContact O-CB 3.39Å; Y859-K862 PolarHBondContact O-N 2.8Å; Y859-R863 HydrophobicContact CE1-CG 4.31Å; Y859-R863 HydrophobicContact CE2-CG 4.22Å; Y859-R863 PolarHBondContact O-N 2.78Å; Y859-K933 HydrophobicContact CE1-CG 4.12Å; Y859-K933 VanDerWaalsContact OH-CE 3.26Å; Y859-K933 WeakPolarHBondContact OH-CE 3.4Å; Y859-K933 PolarHBondContact OH-NZ 3.39Å; Y859-M936 HydrophobicContact CD1-SD 4.47Å; Y859-D937 PolarHBondContact OH-OD1 3.08Å; Y859-D937 PolarHBondContact OH-OD2 2.81Å
860	M	98.9	Very high	98.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-63.5	-45.6	177.5	-67.5	-178.3	79	0	0	111.8	M572 N856 K862 R863 V864 F883 I925 P927 M936 F939	M572-M860 HydrophobicContact CE-CE 3.88Å; N856-M860 WeakPolarHBondContact O-CG 3.41Å; N856-M860 PolarHBondContact O-N 2.88Å; M860-K862 VanDerWaalsContact C-N 3.26Å; M860-K862 PolarHBondContact O-N 3.49Å; M860-R863 PolarHBondContact O-N 2.91Å; M860-V864 WeakPolarHBondContact O-CG2 3.47Å; M860-V864 PolarHBondContact O-N 3.12Å; M860-F883 HydrophobicContact CB-CE1 3.76Å; M860-F883 HydrophobicContact CB-CZ 3.73Å; M860-I925 HydrophobicContact CE-CG2 4.09Å; M860-I925 HydrophobicContact SD-CG2 4.37Å; M860-P927 HydrophobicContact SD-CB 3.56Å; M860-P927 VanDerWaalsContact SD-CB 3.56Å; M860-P927 HydrophobicContact SD-CG 3.73Å; M860-M936 HydrophobicContact CG-CB 3.95Å; M860-M936 HydrophobicContact CG-CG 4.01Å; M860-M936 HydrophobicContact CG-SD 3.9Å; M860-M936 HydrophobicContact SD-CB 4.11Å; M860-M936 HydrophobicContact SD-CG 3.7Å; M860-M936 HydrophobicContact SD-SD 3.97Å; M860-F939 HydrophobicContact CE-CB 4.17Å; M860-F939 HydrophobicContact CE-CD1 3.32Å; M860-F939 HydrophobicContact CE-CE1 4.03Å; M860-F939 HydrophobicContact CE-CG 4.07Å
861	A	98.9	Very high	98.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-42.3	174.7	0	0	0	0	0	111.4	A857 N858 V864 E865 I870 V879 F883	A857-A861 WeakPolarHBondContact O-CB 3.29Å; A857-A861 PolarHBondContact O-N 2.92Å; N858-A861 PolarHBondContact O-N 3.12Å; A861-V864 PolarHBondContact O-N 3.25Å; A861-E865 WeakPolarHBondContact O-CB 3.4Å; A861-E865 PolarHBondContact O-N 3.45Å; A861-I870 HydrophobicContact CB-CD1 4.14Å; A861-I870 HydrophobicContact CB-CG1 4.35Å; A861-V879 HydrophobicContact CB-CG2 4.39Å; A861-F883 HydrophobicContact CB-CD1 4.04Å; A861-F883 HydrophobicContact CB-CD2 3.95Å; A861-F883 HydrophobicContact CB-CE1 4.19Å; A861-F883 HydrophobicContact CB-CE2 4.09Å; A861-F883 HydrophobicContact CB-CG 3.92Å; A861-F883 HydrophobicContact CB-CZ 4.21Å
862	K	98.8	Very high	98.4	Very high	81 Å²	81	27.7 Å²	27.7	35%	0.352	14%	0.143	S	C	.	.	H	α-helix	trans	-66.1	-37.2	177.7	-176.4	59.5	179.8	176.4	0	113.1	V101 L102 N858 Y859 M860 V864 E865	V101-K862 HydrophobicContact CG1-CG 3.93Å; L102-K862 HydrophobicContact CD2-CB 3.76Å; L102-K862 HydrophobicContact CD2-CG 4.02Å; N858-K862 WeakPolarHBondContact O-CB 3.28Å; N858-K862 PolarHBondContact O-N 3.39Å; Y859-K862 WeakPolarHBondContact O-CB 3.39Å; Y859-K862 PolarHBondContact O-N 2.8Å; M860-K862 VanDerWaalsContact C-N 3.26Å; M860-K862 PolarHBondContact O-N 3.49Å; K862-V864 VanDerWaalsContact C-N 3.32Å; K862-V864 PolarHBondContact O-N 2.83Å; K862-E865 WeakPolarHBondContact CD-OE1 3.35Å; K862-E865 IonicContact NZ-OE1 2.78Å; K862-E865 PolarHBondContact NZ-OE1 2.96Å
863	R	98.6	Very high	98.4	Very high	67 Å²	67	31.6 Å²	31.6	25%	0.253	16%	0.158	S	C	.	.	H	α-helix	trans	-66.8	-28.3	176.1	-79.5	-147	63.3	-153.8	-12.8	113.6	Y859 M860 D937 C940 D941	Y859-R863 HydrophobicContact CE1-CG 4.31Å; Y859-R863 HydrophobicContact CE2-CG 4.22Å; Y859-R863 PolarHBondContact O-N 2.78Å; M860-R863 PolarHBondContact O-N 2.91Å; R863-D937 VanDerWaalsContact CD-OD1 3.26Å; R863-D937 WeakPolarHBondContact CD-OD1 3.39Å; R863-D937 IonicContact CZ-OD1 3.47Å; R863-D937 IonicContact NE-OD1 3.18Å; R863-D937 IonicContact NH1-OD1 3.39Å; R863-D937 PolarHBondContact NH1-OD1 3.34Å; R863-C940 HydrophobicContact CB-CB 4.29Å; R863-D941 IonicContact CZ-OD1 3.23Å; R863-D941 VanDerWaalsContact CZ-OD1 3.22Å; R863-D941 IonicContact NH1-OD1 2.89Å; R863-D941 PolarHBondContact NH1-OD1 2.92Å; R863-D941 IonicContact NH2-OD1 3.9Å; R863-D941 PolarHBondContact NH2-OD1 2.97Å
864	V	98.6	Very high	98.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-108.7	-8.7	-174.2	-53.2	0	0	0	0	115.2	M860 A861 K862 G866 H867 Y868 I870 F883 L885 C940 L943	M860-V864 WeakPolarHBondContact O-CG2 3.47Å; M860-V864 PolarHBondContact O-N 3.12Å; A861-V864 PolarHBondContact O-N 3.25Å; K862-V864 VanDerWaalsContact C-N 3.32Å; K862-V864 PolarHBondContact O-N 2.83Å; V864-G866 PolarHBondContact O-N 2.71Å; V864-G866 VanDerWaalsContact O-N 3.11Å; V864-H867 PolarHBondContact O-N 3.01Å; V864-Y868 HydrophobicContact CB-CD2 4.28Å; V864-Y868 PolarHBondContact O-N 2.81Å; V864-I870 HydrophobicContact CG2-CD1 3.92Å; V864-F883 HydrophobicContact CG2-CE2 4.33Å; V864-L885 HydrophobicContact CG2-CD2 3.85Å; V864-C940 HydrophobicContact CG1-CB 4.29Å; V864-L943 HydrophobicContact CG1-CD1 4.42Å
865	E	97.3	Very high	97.9	Very high	67 Å²	67	42 Å²	42	31%	0.313	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	-172.7	69.5	-174.3	-156.7	0	0	115.6	A861 K862 H867 Y868 I870 R873	A861-E865 WeakPolarHBondContact O-CB 3.4Å; A861-E865 PolarHBondContact O-N 3.45Å; K862-E865 WeakPolarHBondContact CD-OE1 3.35Å; K862-E865 IonicContact NZ-OE1 2.78Å; K862-E865 PolarHBondContact NZ-OE1 2.96Å; E865-H867 VanDerWaalsContact C-N 3.3Å; E865-Y868 WeakPolarHBondContact CA-O 3.44Å; E865-I870 HydrophobicContact CB-CG1 3.96Å; E865-R873 IonicContact OE2-CZ 3.82Å; E865-R873 IonicContact OE2-NH1 3.66Å; E865-R873 IonicContact OE2-NH2 2.82Å; E865-R873 PolarHBondContact OE2-NH2 2.83Å
866	G	96.4	Very high	97.7	Very high	73 Å²	73	47.6 Å²	47.6	75%	0.753	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12	174.3	0	0	0	0	0	114.5	V864	V864-G866 PolarHBondContact O-N 2.71Å; V864-G866 VanDerWaalsContact O-N 3.11Å
867	H	98	Very high	97.5	Very high	99 Å²	99	49 Å²	49	46%	0.458	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-32.8	-172.1	-67.8	-90.1	0	0	0	112.5	V864 E865 L944 R947	V864-H867 PolarHBondContact O-N 3.01Å; E865-H867 VanDerWaalsContact C-N 3.3Å; H867-L944 HydrophobicContact CB-CD2 3.73Å; H867-L944 WeakPolarHBondContact CD2-CD2 3.45Å; H867-R947 HydrophobicContact CB-CG 4.09Å; H867-R947 WeakPolarHBondContact O-CD 3.44Å; H867-R947 PolarHBondContact O-NE 3.4Å
868	Y	98.4	Very high	97.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	25%	0.248	C	C	.	.	S	Bend	trans	-129.2	133.9	174.9	-64.9	-90.5	0	0	0	109.6	V864 E865 I870 L885 V887 F890 L901 L943 R947	V864-Y868 HydrophobicContact CB-CD2 4.28Å; V864-Y868 PolarHBondContact O-N 2.81Å; E865-Y868 WeakPolarHBondContact CA-O 3.44Å; Y868-I870 PolarHBondContact O-N 2.78Å; Y868-I870 VanDerWaalsContact O-N 3.17Å; Y868-L885 HydrophobicContact CD1-CD1 4.38Å; Y868-L885 HydrophobicContact CD2-CD1 4.49Å; Y868-L885 HydrophobicContact CG-CD1 4.13Å; Y868-V887 HydrophobicContact CD1-CG1 4Å; Y868-V887 HydrophobicContact CE1-CG1 4.12Å; Y868-F890 AromaticContact CD1-CE2 3.78Å; Y868-F890 HydrophobicContact CD1-CE2 3.78Å; Y868-F890 HydrophobicContact CD1-CZ 4.04Å; Y868-F890 AromaticContact CE1-CE2 3.67Å; Y868-F890 HydrophobicContact CE1-CE2 3.67Å; Y868-F890 HydrophobicContact CE1-CZ 4.09Å; Y868-L901 HydrophobicContact CE1-CD2 3.88Å; Y868-L943 HydrophobicContact CE2-CB 4.05Å; Y868-L943 VanDerWaalsContact CE2-O 3.29Å; Y868-L943 WeakPolarHBondContact CE2-O 3.5Å; Y868-L943 PolarHBondContact OH-O 2.86Å; Y868-R947 HydrophobicContact CE2-CB 3.85Å; Y868-R947 PolarHBondContact OH-N 3.26Å
869	K	98	Very high	97.5	Very high	121 Å²	121	50.5 Å²	50.5	53%	0.526	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.8	173.3	176.7	-169.5	172.4	-161	0	109.6	L871 D886	K869-L871 PolarHBondContact O-N 3.06Å; K869-D886 HydrophobicContact CB-CB 4.18Å; K869-D886 HydrophobicContact CD-CB 4.24Å; K869-D886 HydrophobicContact CG-CB 4.4Å; K869-D886 IonicContact NZ-OD2 2.61Å; K869-D886 PolarHBondContact O-N 2.71Å
870	I	98.4	Very high	97.5	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	118.8	162.2	-46.8	-50.2	0	0	0	107.3	A861 V864 E865 Y868 R873 V879 F883 I884 L885	A861-I870 HydrophobicContact CB-CD1 4.14Å; A861-I870 HydrophobicContact CB-CG1 4.35Å; V864-I870 HydrophobicContact CG2-CD1 3.92Å; E865-I870 HydrophobicContact CB-CG1 3.96Å; Y868-I870 PolarHBondContact O-N 2.78Å; Y868-I870 VanDerWaalsContact O-N 3.17Å; I870-R873 VanDerWaalsContact CG1-NH2 3.29Å; I870-R873 HydrophobicContact CG2-CG 4.2Å; I870-V879 HydrophobicContact CG2-CG1 4.35Å; I870-F883 HydrophobicContact CD1-CD2 3.98Å; I870-F883 HydrophobicContact CD1-CE2 4.16Å; I870-F883 HydrophobicContact CG2-CB 4.4Å; I870-I884 WeakPolarHBondContact CA-O 3.3Å; I870-L885 HydrophobicContact CD1-CD2 3.39Å
871	L	97.9	Very high	97.5	Very high	20 Å²	20	50.2 Å²	50.2	11%	0.105	25%	0.246	C	C	.	.			trans	-73.1	-40.7	-164.8	-177.9	54.3	0	0	0	113.5	K869 I884 D886 V919 T922	K869-L871 PolarHBondContact O-N 3.06Å; L871-I884 HydrophobicContact CB-CB 4.14Å; L871-I884 HydrophobicContact CB-CG2 3.92Å; L871-I884 HydrophobicContact CD2-CG2 3.95Å; L871-I884 PolarHBondContact N-O 2.77Å; L871-D886 HydrophobicContact CB-CB 4.26Å; L871-D886 HydrophobicContact CD1-CB 4.21Å; L871-V919 HydrophobicContact CD2-CB 4.32Å; L871-V919 HydrophobicContact CD2-CG1 4.2Å; L871-V919 HydrophobicContact CD2-CG2 4.02Å; L871-T922 HydrophobicContact CD2-CG2 4.11Å
872	F	97.6	Very high	97.4	Very high	25 Å²	25	50.1 Å²	50.1	11%	0.11	25%	0.246	C	C	.	.			trans	-135.2	149.1	-176.7	-55.8	-64.4	0	0	0	110.2	D693 F723 V725 I884 V919	D693-F872 VanDerWaalsContact C-CD1 3.5Å; D693-F872 VanDerWaalsContact O-CD1 3.26Å; D693-F872 WeakPolarHBondContact O-CD1 3.04Å; F723-F872 HydrophobicContact CB-CB 4.2Å; F723-F872 HydrophobicContact CB-CD2 3.56Å; F723-F872 HydrophobicContact CB-CE2 4.17Å; F723-F872 HydrophobicContact CB-CG 4.12Å; F723-F872 AromaticContact CD1-CD2 3.77Å; F723-F872 HydrophobicContact CD1-CD2 3.77Å; F723-F872 AromaticContact CD1-CE2 3.47Å; F723-F872 HydrophobicContact CD1-CE2 3.47Å; F723-F872 VanDerWaalsContact CD1-CE2 3.47Å; F723-F872 HydrophobicContact CD1-CZ 4.41Å; F723-F872 AromaticContact CD2-CD2 3.82Å; F723-F872 HydrophobicContact CD2-CD2 3.82Å; F723-F872 AromaticContact CD2-CE2 3.72Å; F723-F872 HydrophobicContact CD2-CE2 3.72Å; F723-F872 HydrophobicContact CD2-CG 4.25Å; F723-F872 HydrophobicContact CD2-CZ 4.1Å; F723-F872 HydrophobicContact CE1-CD2 4.39Å; F723-F872 AromaticContact CE1-CE2 3.64Å; F723-F872 HydrophobicContact CE1-CE2 3.64Å; F723-F872 HydrophobicContact CE1-CZ 4.24Å; F723-F872 HydrophobicContact CE2-CD2 4.44Å; F723-F872 AromaticContact CE2-CE2 3.89Å; F723-F872 HydrophobicContact CE2-CE2 3.89Å; F723-F872 AromaticContact CE2-CZ 3.92Å; F723-F872 HydrophobicContact CE2-CZ 3.92Å; F723-F872 AromaticContact CG-CD2 3.45Å; F723-F872 HydrophobicContact CG-CD2 3.45Å; F723-F872 VanDerWaalsContact CG-CD2 3.45Å; F723-F872 AromaticContact CG-CE2 3.52Å; F723-F872 HydrophobicContact CG-CE2 3.52Å; F723-F872 HydrophobicContact CG-CG 4.21Å; F723-F872 HydrophobicContact CG-CZ 4.35Å; F723-F872 AromaticContact CZ-CE2 3.84Å; F723-F872 HydrophobicContact CZ-CE2 3.84Å; F723-F872 AromaticContact CZ-CZ 3.99Å; F723-F872 HydrophobicContact CZ-CZ 3.99Å; V725-F872 HydrophobicContact CG2-CB 3.99Å; F872-I884 HydrophobicContact CD2-CD1 4.24Å; F872-I884 HydrophobicContact CE2-CD1 4.41Å; F872-V919 HydrophobicContact CE2-CG2 3.97Å; F872-V919 HydrophobicContact CZ-CG2 4.45Å
873	R	97.3	Very high	97.4	Very high	82 Å²	82	46.4 Å²	46.4	31%	0.309	23%	0.229	S	C	.	.			trans	-150.2	151.1	179.8	-69.7	174.9	179.4	-104.8	10.1	109.3	E865 I870 G877 V879	E865-R873 IonicContact OE2-CZ 3.82Å; E865-R873 IonicContact OE2-NH1 3.66Å; E865-R873 IonicContact OE2-NH2 2.82Å; E865-R873 PolarHBondContact OE2-NH2 2.83Å; I870-R873 VanDerWaalsContact CG1-NH2 3.29Å; I870-R873 HydrophobicContact CG2-CG 4.2Å; R873-G877 VanDerWaalsContact CD-O 3.28Å; R873-G877 WeakPolarHBondContact CD-O 3.24Å; R873-G877 PolarHBondContact NH1-O 3.25Å; R873-V879 HydrophobicContact CG-CG1 4.28Å
874	G	94.8	Very high	97.5	Very high	16 Å²	16	43.2 Å²	43.2	17%	0.165	22%	0.217	C	C	.	.			trans	-67.5	169.4	170.3	0	0	0	0	0	112.7	K876 G877 F878	G874-K876 PolarHBondContact O-N 3.41Å; G874-G877 PolarHBondContact O-N 2.73Å; G874-F878 PolarHBondContact N-O 3.03Å
875	R	92.3	Very high	97.5	Very high	203 Å²	203	43.1 Å²	43.1	77%	0.766	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.3	-171.1	-174.9	-178.3	-179.8	179.7	3.8	115.7	E728	E728-R875 HydrophobicContact CG-CB 4.06Å; E728-R875 WeakPolarHBondContact OE2-CD 3.26Å; E728-R875 IonicContact OE2-CZ 3.61Å; E728-R875 IonicContact OE2-NE 3.73Å; E728-R875 IonicContact OE2-NH1 2.7Å; E728-R875 PolarHBondContact OE2-NH1 2.75Å
876	K	94.9	Very high	97.5	Very high	117 Å²	117	40.5 Å²	40.5	51%	0.509	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	6.9	179.6	-69.3	174.3	167.2	-169.6	0	114.2	E112 N113 G874 F878	E112-K876 PolarHBondContact O-NZ 2.86Å; N113-K876 VanDerWaalsContact CA-CD 3.5Å; N113-K876 HydrophobicContact CB-CD 3.9Å; N113-K876 WeakPolarHBondContact O-CB 3.27Å; N113-K876 WeakPolarHBondContact O-CD 3.38Å; N113-K876 WeakPolarHBondContact OD1-CD 3.32Å; N113-K876 PolarHBondContact OD1-NZ 3.26Å; G874-K876 PolarHBondContact O-N 3.41Å; K876-F878 HydrophobicContact CB-CD2 4.08Å; K876-F878 HydrophobicContact CB-CE2 4.46Å; K876-F878 WeakPolarHBondContact O-CD2 3.42Å
877	G	96.2	Very high	97.6	Very high	29 Å²	29	37.1 Å²	37.1	30%	0.299	17%	0.17	S	C	.	.	S	Bend	trans	92.8	-2.5	178.9	0	0	0	0	0	115.8	R873 G874	R873-G877 VanDerWaalsContact CD-O 3.28Å; R873-G877 WeakPolarHBondContact CD-O 3.24Å; R873-G877 PolarHBondContact NH1-O 3.25Å; G874-G877 PolarHBondContact O-N 2.73Å
878	F	98.3	Very high	97.6	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.154	17%	0.167	C	C	.	.			trans	-92.8	156.1	-179.8	-62.4	-83.9	0	0	0	112.4	L104 L110 N113 T114 N858 G874 K876	L104-F878 HydrophobicContact CD1-CE1 3.94Å; L104-F878 HydrophobicContact CD1-CZ 4.16Å; L104-F878 HydrophobicContact CD2-CZ 4.21Å; L110-F878 HydrophobicContact CD1-CD1 3.34Å; L110-F878 HydrophobicContact CD1-CE1 3.7Å; L110-F878 HydrophobicContact CD1-CG 4.02Å; N113-F878 HydrophobicContact CB-CD2 3.63Å; N113-F878 HydrophobicContact CB-CE2 3.56Å; N113-F878 HydrophobicContact CB-CG 4.5Å; N113-F878 HydrophobicContact CB-CZ 4.35Å; T114-F878 VanDerWaalsContact OG1-CB 3.24Å; T114-F878 WeakPolarHBondContact OG1-CB 3.44Å; N858-F878 WeakPolarHBondContact OD1-CA 3.35Å; N858-F878 WeakPolarHBondContact OD1-CB 3.36Å; N858-F878 WeakPolarHBondContact OD1-CD1 3.25Å; G874-F878 PolarHBondContact N-O 3.03Å; K876-F878 HydrophobicContact CB-CD2 4.08Å; K876-F878 HydrophobicContact CB-CE2 4.46Å; K876-F878 WeakPolarHBondContact O-CD2 3.42Å
879	V	98.7	Very high	97.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	19%	0.187	C	C	.	.			trans	-103.9	171.2	172.2	-63.4	0	0	0	0	110.2	T114 A857 N858 A861 I870 R873 F883	T114-V879 WeakPolarHBondContact CG2-O 3.49Å; A857-V879 HydrophobicContact CB-CG2 4.37Å; N858-V879 HydrophobicContact CB-CG2 4.43Å; N858-V879 PolarHBondContact ND2-O 3.09Å; N858-V879 WeakPolarHBondContact OD1-CG2 2.93Å; N858-V879 PolarHBondContact OD1-N 3.44Å; A861-V879 HydrophobicContact CB-CG2 4.39Å; I870-V879 HydrophobicContact CG2-CG1 4.35Å; R873-V879 HydrophobicContact CG-CG1 4.28Å; V879-F883 HydrophobicContact CB-CB 4.24Å; V879-F883 HydrophobicContact CG1-CB 3.93Å; V879-F883 HydrophobicContact CG2-CB 4.16Å
880	A	98.4	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.			trans	-83.1	-135.2	173.3	0	0	0	0	0	110.7	P720 G724 F726 A753 A857 E882	P720-A880 HydrophobicContact CB-CB 3.81Å; P720-A880 HydrophobicContact CG-CB 3.68Å; G724-A880 WeakPolarHBondContact O-CB 3.33Å; G724-A880 PolarHBondContact O-N 3.4Å; F726-A880 HydrophobicContact CD2-CB 3.8Å; F726-A880 HydrophobicContact CE2-CB 3.48Å; F726-A880 VanDerWaalsContact CE2-CB 3.48Å; F726-A880 HydrophobicContact CZ-CB 4.28Å; A753-A880 HydrophobicContact CB-CB 4.24Å; A857-A880 WeakPolarHBondContact CB-O 3.32Å; A880-E882 VanDerWaalsContact C-N 3.31Å
881	H	98.8	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-75.2	-7.3	172.9	67.1	-35.6	0	0	0	115.8	N750 A753 A853 A857 E926	N750-H881 VanDerWaalsContact CB-NE2 3.33Å; N750-H881 WeakPolarHBondContact CB-NE2 3.2Å; N750-H881 PolarHBondContact ND2-NE2 3.06Å; A753-H881 HydrophobicContact CB-CB 3.98Å; A853-H881 HydrophobicContact CB-CB 4.37Å; A857-H881 WeakPolarHBondContact CB-O 3.24Å; H881-E926 IonicContact CD2-OE1 3.47Å; H881-E926 PolarHBondContact CD2-OE1 3.16Å
882	E	98.8	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.217	C	C	.	.			trans	-147.6	161.9	-175.2	71.4	-173.7	158.9	0	0	110.8	S577 G724 N750 A880 M924 I925 E926	S577-E882 PolarHBondContact N-OE2 2.98Å; G724-E882 VanDerWaalsContact CA-CG 3.47Å; G724-E882 WeakPolarHBondContact CA-O 3.45Å; N750-E882 PolarHBondContact ND2-OE1 3.22Å; A880-E882 VanDerWaalsContact C-N 3.31Å; E882-M924 WeakPolarHBondContact OE2-CE 3.47Å; E882-I925 CarbonylContact C-O 3.59Å; E882-I925 WeakPolarHBondContact CA-O 3.37Å; E882-I925 WeakPolarHBondContact CB-O 3.25Å; E882-E926 HydrophobicContact CB-CB 3.85Å; E882-E926 HydrophobicContact CB-CG 4.28Å
883	F	98.8	Very high	97.6	Very high	2 Å²	2	50 Å²	50	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.8	177.4	64.5	-83.4	0	0	0	113.5	A857 M860 A861 V864 I870 V879 L885 M924 I925	A857-F883 HydrophobicContact CB-CD1 4.32Å; A857-F883 WeakPolarHBondContact O-CD1 3.4Å; A857-F883 WeakPolarHBondContact O-CE1 3.45Å; M860-F883 HydrophobicContact CB-CE1 3.76Å; M860-F883 HydrophobicContact CB-CZ 3.73Å; A861-F883 HydrophobicContact CB-CD1 4.04Å; A861-F883 HydrophobicContact CB-CD2 3.95Å; A861-F883 HydrophobicContact CB-CE1 4.19Å; A861-F883 HydrophobicContact CB-CE2 4.09Å; A861-F883 HydrophobicContact CB-CG 3.92Å; A861-F883 HydrophobicContact CB-CZ 4.21Å; V864-F883 HydrophobicContact CG2-CE2 4.33Å; I870-F883 HydrophobicContact CD1-CD2 3.98Å; I870-F883 HydrophobicContact CD1-CE2 4.16Å; I870-F883 HydrophobicContact CG2-CB 4.4Å; V879-F883 HydrophobicContact CB-CB 4.24Å; V879-F883 HydrophobicContact CG1-CB 3.93Å; V879-F883 HydrophobicContact CG2-CB 4.16Å; F883-L885 HydrophobicContact CD2-CD2 4.04Å; F883-L885 HydrophobicContact CE2-CD2 3.77Å; F883-L885 HydrophobicContact CE2-CG 4.16Å; F883-M924 WeakPolarHBondContact O-CA 3.47Å; F883-I925 HydrophobicContact CD1-CB 4.31Å; F883-I925 HydrophobicContact CD1-CG2 4.42Å; F883-I925 HydrophobicContact CE1-CB 3.87Å; F883-I925 HydrophobicContact CE1-CG2 3.59Å; F883-I925 HydrophobicContact CE2-CB 4.18Å; F883-I925 HydrophobicContact CE2-CD1 3.71Å; F883-I925 HydrophobicContact CE2-CG1 4.5Å; F883-I925 HydrophobicContact CE2-CG2 4.48Å; F883-I925 HydrophobicContact CZ-CB 3.8Å; F883-I925 HydrophobicContact CZ-CD1 3.77Å; F883-I925 HydrophobicContact CZ-CG1 4.4Å; F883-I925 HydrophobicContact CZ-CG2 3.64Å; F883-I925 PolarHBondContact N-O 2.99Å; F883-I925 PolarHBondContact O-N 2.84Å
884	I	98.8	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130	-178.3	-62.3	179.3	0	0	0	111.8	F723 I870 L871 F872 P918 T922 L923 M924	F723-I884 HydrophobicContact CB-CD1 4.41Å; F723-I884 HydrophobicContact CD1-CD1 3.76Å; F723-I884 HydrophobicContact CG-CD1 4.5Å; I870-I884 WeakPolarHBondContact CA-O 3.3Å; L871-I884 HydrophobicContact CB-CB 4.14Å; L871-I884 HydrophobicContact CB-CG2 3.92Å; L871-I884 HydrophobicContact CD2-CG2 3.95Å; L871-I884 PolarHBondContact N-O 2.77Å; F872-I884 HydrophobicContact CD2-CD1 4.24Å; F872-I884 HydrophobicContact CE2-CD1 4.41Å; I884-P918 HydrophobicContact CD1-CG 3.76Å; I884-T922 HydrophobicContact CG2-CG2 4.03Å; I884-T922 WeakPolarHBondContact CG2-OG1 3.42Å; I884-L923 CarbonylContact C-O 3.59Å; I884-L923 WeakPolarHBondContact CA-O 3.35Å; I884-M924 HydrophobicContact CD1-CG 4.46Å; I884-M924 HydrophobicContact CD1-SD 3.82Å; I884-M924 HydrophobicContact CG1-CB 3.99Å; I884-M924 HydrophobicContact CG1-CG 3.65Å; I884-M924 HydrophobicContact CG1-SD 3.62Å
885	L	98.8	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.9	168.1	-61.9	-171.7	0	0	0	111.7	V864 Y868 I870 F883 V887 T922 L923 I925 L943	V864-L885 HydrophobicContact CG2-CD2 3.85Å; Y868-L885 HydrophobicContact CD1-CD1 4.38Å; Y868-L885 HydrophobicContact CD2-CD1 4.49Å; Y868-L885 HydrophobicContact CG-CD1 4.13Å; I870-L885 HydrophobicContact CD1-CD2 3.39Å; F883-L885 HydrophobicContact CD2-CD2 4.04Å; F883-L885 HydrophobicContact CE2-CD2 3.77Å; F883-L885 HydrophobicContact CE2-CG 4.16Å; L885-V887 HydrophobicContact CB-CG1 4.19Å; L885-V887 PolarHBondContact O-N 3.11Å; L885-V887 VanDerWaalsContact O-N 3.13Å; L885-T922 WeakPolarHBondContact O-CA 3.45Å; L885-T922 VanDerWaalsContact O-CB 3.26Å; L885-T922 WeakPolarHBondContact O-CB 3.39Å; L885-L923 PolarHBondContact N-O 3.38Å; L885-L923 PolarHBondContact O-N 3.24Å; L885-I925 HydrophobicContact CD1-CD1 3.59Å; L885-I925 HydrophobicContact CG-CD1 3.83Å; L885-L943 HydrophobicContact CD1-CD1 3.87Å
886	D	98.3	Very high	98.1	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	87.4	174.8	-167.1	-3.5	0	0	0	111.3	K869 L871 R888 P889	K869-D886 HydrophobicContact CB-CB 4.18Å; K869-D886 HydrophobicContact CD-CB 4.24Å; K869-D886 HydrophobicContact CG-CB 4.4Å; K869-D886 IonicContact NZ-OD2 2.61Å; K869-D886 PolarHBondContact O-N 2.71Å; L871-D886 HydrophobicContact CB-CB 4.26Å; L871-D886 HydrophobicContact CD1-CB 4.21Å; D886-R888 VanDerWaalsContact CG-NH2 3.28Å; D886-R888 WeakPolarHBondContact OD1-CB 3.5Å; D886-R888 WeakPolarHBondContact OD1-CG 3.34Å; D886-R888 IonicContact OD1-CZ 3.78Å; D886-R888 PolarHBondContact OD1-N 2.86Å; D886-R888 IonicContact OD1-NE 3.53Å; D886-R888 PolarHBondContact OD1-NE 2.91Å; D886-R888 IonicContact OD1-NH2 3.87Å; D886-R888 PolarHBondContact OD1-NH2 3.31Å; D886-R888 IonicContact OD2-CZ 3.68Å; D886-R888 IonicContact OD2-NE 2.71Å; D886-R888 IonicContact OD2-NH2 3.45Å; D886-R888 PolarHBondContact OD2-NH2 3.48Å; D886-P889 WeakPolarHBondContact O-CD 3.43Å
887	V	98.4	Very high	98.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.19	C	C	.	.			trans	-90.6	1.4	178.6	-52.6	0	0	0	0	113.3	Y868 L885 F890 A898 L901 G921 L923	Y868-V887 HydrophobicContact CD1-CG1 4Å; Y868-V887 HydrophobicContact CE1-CG1 4.12Å; L885-V887 HydrophobicContact CB-CG1 4.19Å; L885-V887 PolarHBondContact O-N 3.11Å; L885-V887 VanDerWaalsContact O-N 3.13Å; V887-F890 HydrophobicContact CB-CD2 3.87Å; V887-F890 HydrophobicContact CB-CE2 4.01Å; V887-F890 HydrophobicContact CG1-CE2 4.21Å; V887-F890 VanDerWaalsContact O-CD2 3.24Å; V887-F890 WeakPolarHBondContact O-CD2 3.35Å; V887-F890 PolarHBondContact O-N 2.9Å; V887-A898 HydrophobicContact CG2-CB 3.69Å; V887-L901 HydrophobicContact CG1-CD2 4.09Å; V887-G921 WeakPolarHBondContact CG2-O 3.49Å; V887-L923 HydrophobicContact CG1-CD1 4.36Å; V887-L923 HydrophobicContact CG1-CG 4.48Å; V887-L923 HydrophobicContact CG2-CG 4.39Å
888	R	98.4	Very high	98.4	Very high	105 Å²	105	36.7 Å²	36.7	40%	0.396	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.3	180	-57.7	174.3	-65.2	-170.6	-1.5	114.5	D886 F890 K891 A920 G921 T922	D886-R888 VanDerWaalsContact CG-NH2 3.28Å; D886-R888 WeakPolarHBondContact OD1-CB 3.5Å; D886-R888 WeakPolarHBondContact OD1-CG 3.34Å; D886-R888 IonicContact OD1-CZ 3.78Å; D886-R888 PolarHBondContact OD1-N 2.86Å; D886-R888 IonicContact OD1-NE 3.53Å; D886-R888 PolarHBondContact OD1-NE 2.91Å; D886-R888 IonicContact OD1-NH2 3.87Å; D886-R888 PolarHBondContact OD1-NH2 3.31Å; D886-R888 IonicContact OD2-CZ 3.68Å; D886-R888 IonicContact OD2-NE 2.71Å; D886-R888 IonicContact OD2-NH2 3.45Å; D886-R888 PolarHBondContact OD2-NH2 3.48Å; R888-F890 PolarHBondContact O-N 3.08Å; R888-K891 WeakPolarHBondContact O-CB 3.36Å; R888-K891 PolarHBondContact O-N 2.86Å; R888-A920 WeakPolarHBondContact CD-O 3.35Å; R888-G921 VanDerWaalsContact CG-O 3.23Å; R888-G921 WeakPolarHBondContact CG-O 3.29Å; R888-T922 HydrophobicContact CG-CG2 4.25Å
889	P	98.4	Very high	98.4	Very high	67 Å²	67	37 Å²	37	44%	0.435	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.2	179.3	-27.7	37	0	0	0	113.9	D886 K891 K892 T893	D886-P889 WeakPolarHBondContact O-CD 3.43Å; P889-K891 PolarHBondContact O-N 3.27Å; P889-K891 VanDerWaalsContact O-N 3.14Å; P889-K892 WeakPolarHBondContact O-CB 3.41Å; P889-K892 PolarHBondContact O-N 3.47Å; P889-T893 PolarHBondContact O-N 2.86Å
890	F	98.5	Very high	98.4	Very high	14 Å²	14	37.1 Å²	37.1	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-18.4	-176.9	-49.2	-51.4	0	0	0	113.4	Y868 V887 R888 K892 T893 A894 N895 I896 I950	Y868-F890 AromaticContact CD1-CE2 3.78Å; Y868-F890 HydrophobicContact CD1-CE2 3.78Å; Y868-F890 HydrophobicContact CD1-CZ 4.04Å; Y868-F890 AromaticContact CE1-CE2 3.67Å; Y868-F890 HydrophobicContact CE1-CE2 3.67Å; Y868-F890 HydrophobicContact CE1-CZ 4.09Å; V887-F890 HydrophobicContact CB-CD2 3.87Å; V887-F890 HydrophobicContact CB-CE2 4.01Å; V887-F890 HydrophobicContact CG1-CE2 4.21Å; V887-F890 VanDerWaalsContact O-CD2 3.24Å; V887-F890 WeakPolarHBondContact O-CD2 3.35Å; V887-F890 PolarHBondContact O-N 2.9Å; R888-F890 PolarHBondContact O-N 3.08Å; F890-K892 VanDerWaalsContact C-N 3.25Å; F890-K892 PolarHBondContact O-N 3.42Å; F890-T893 WeakPolarHBondContact CA-OG1 3.29Å; F890-A894 CarbonylContact O-C 3.59Å; F890-A894 WeakPolarHBondContact O-CA 3.43Å; F890-A894 PolarHBondContact O-N 2.79Å; F890-N895 PolarHBondContact O-N 3.16Å; F890-I896 CarbonylContact C-O 3.48Å; F890-I896 VanDerWaalsContact C-O 3.25Å; F890-I896 HydrophobicContact CB-CB 4.02Å; F890-I896 HydrophobicContact CB-CG2 4.27Å; F890-I896 PolarHBondContact O-N 3.08Å; F890-I950 HydrophobicContact CB-CG2 4.22Å; F890-I950 HydrophobicContact CD1-CG2 3.65Å; F890-I950 HydrophobicContact CD2-CD1 3.86Å; F890-I950 HydrophobicContact CE1-CG2 4.2Å; F890-I950 HydrophobicContact CE2-CD1 4.1Å; F890-I950 HydrophobicContact CG-CD1 4.1Å; F890-I950 HydrophobicContact CG-CG2 3.97Å
891	K	97.9	Very high	98.4	Very high	94 Å²	94	37.1 Å²	37.1	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-66.3	-28.9	170.9	-179.4	56.3	178	-175.4	0	112.1	R888 P889 N895 I896 E897	R888-K891 WeakPolarHBondContact O-CB 3.36Å; R888-K891 PolarHBondContact O-N 2.86Å; P889-K891 PolarHBondContact O-N 3.27Å; P889-K891 VanDerWaalsContact O-N 3.14Å; K891-N895 PolarHBondContact NZ-OD1 3.48Å; K891-N895 WeakPolarHBondContact O-CA 3.45Å; K891-I896 WeakPolarHBondContact CA-O 3.27Å; K891-I896 PolarHBondContact N-O 2.85Å; K891-E897 HydrophobicContact CD-CG 3.79Å; K891-E897 VanDerWaalsContact CE-OE1 3.27Å; K891-E897 WeakPolarHBondContact CE-OE1 3.23Å; K891-E897 IonicContact NZ-OE1 2.66Å; K891-E897 PolarHBondContact NZ-OE1 3.07Å
892	K	97.4	Very high	98.4	Very high	197 Å²	197	37.1 Å²	37.1	86%	0.857	18%	0.183	S	C	*	.	H	α-helix	trans	-87.3	-38.5	176.5	-173.4	-177.4	175.6	-172.6	0	112.4	P889 F890	P889-K892 WeakPolarHBondContact O-CB 3.41Å; P889-K892 PolarHBondContact O-N 3.47Å; F890-K892 VanDerWaalsContact C-N 3.25Å; F890-K892 PolarHBondContact O-N 3.42Å
893	T	98	Very high	98.4	Very high	75 Å²	75	37.4 Å²	37.4	46%	0.46	18%	0.184	S	C	.	.	H	α-helix	trans	-89.9	-35.8	-172.4	56.1	0	0	0	0	113.7	P889 F890 E954	P889-T893 PolarHBondContact O-N 2.86Å; F890-T893 WeakPolarHBondContact CA-OG1 3.29Å; T893-E954 WeakPolarHBondContact CB-OE1 3.33Å; T893-E954 PolarHBondContact OG1-OE1 2.82Å
894	A	98.3	Very high	98.4	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	0.7	-176.8	0	0	0	0	0	114.2	F890 I896 I950 I953 E954	F890-A894 CarbonylContact O-C 3.59Å; F890-A894 WeakPolarHBondContact O-CA 3.43Å; F890-A894 PolarHBondContact O-N 2.79Å; A894-I896 HydrophobicContact CB-CB 4.16Å; A894-I896 HydrophobicContact CB-CG1 3.64Å; A894-I896 PolarHBondContact O-N 3.41Å; A894-I950 HydrophobicContact CB-CG2 3.99Å; A894-I953 HydrophobicContact CB-CB 4.15Å; A894-I953 HydrophobicContact CB-CG2 3.86Å; A894-E954 HydrophobicContact CB-CG 3.9Å
895	N	98.3	Very high	98.4	Very high	76 Å²	76	37.3 Å²	37.3	41%	0.406	18%	0.184	S	C	.	.			trans	57.2	23.5	-167.1	-171.8	34.7	0	0	0	113.6	F890 K891 K966	F890-N895 PolarHBondContact O-N 3.16Å; K891-N895 PolarHBondContact NZ-OD1 3.48Å; K891-N895 WeakPolarHBondContact O-CA 3.45Å; N895-K966 VanDerWaalsContact O-CE 3.3Å; N895-K966 WeakPolarHBondContact O-CE 3.33Å; N895-K966 PolarHBondContact O-NZ 3.33Å
896	I	98.7	Very high	98.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.184	C	C	.	.			trans	-91.2	141.6	-178.2	-67.7	-63.4	0	0	0	111.2	F890 K891 A894 D900 L901 I950 I953 L965 K966	F890-I896 CarbonylContact C-O 3.48Å; F890-I896 VanDerWaalsContact C-O 3.25Å; F890-I896 HydrophobicContact CB-CB 4.02Å; F890-I896 HydrophobicContact CB-CG2 4.27Å; F890-I896 PolarHBondContact O-N 3.08Å; K891-I896 WeakPolarHBondContact CA-O 3.27Å; K891-I896 PolarHBondContact N-O 2.85Å; A894-I896 HydrophobicContact CB-CB 4.16Å; A894-I896 HydrophobicContact CB-CG1 3.64Å; A894-I896 PolarHBondContact O-N 3.41Å; I896-D900 WeakPolarHBondContact CA-OD2 3.46Å; I896-D900 HydrophobicContact CD1-CB 4.39Å; I896-D900 HydrophobicContact CG2-CB 4.16Å; I896-L901 HydrophobicContact CG2-CD1 3.44Å; I896-L901 VanDerWaalsContact CG2-CD1 3.44Å; I896-I950 HydrophobicContact CG1-CG1 4.48Å; I896-I950 HydrophobicContact CG2-CD1 4.2Å; I896-I950 HydrophobicContact CG2-CG1 4.19Å; I896-I953 HydrophobicContact CD1-CD1 3.99Å; I896-I953 HydrophobicContact CG1-CD1 4.2Å; I896-L965 HydrophobicContact CD1-CB 3.75Å; I896-L965 HydrophobicContact CD1-CD1 4.07Å; I896-L965 HydrophobicContact CD1-CG 4.41Å; I896-L965 HydrophobicContact CG1-CD1 4.4Å; I896-K966 HydrophobicContact CD1-CD 4.24Å; I896-K966 HydrophobicContact CD1-CG 4.43Å
897	E	98.4	Very high	98.4	Very high	80 Å²	80	36.9 Å²	36.9	37%	0.374	18%	0.181	S	C	.	.			trans	-121.9	161.1	-177.8	-68.4	177.4	-165.8	0	0	111.8	K891 V899 D900 L901	K891-E897 HydrophobicContact CD-CG 3.79Å; K891-E897 VanDerWaalsContact CE-OE1 3.27Å; K891-E897 WeakPolarHBondContact CE-OE1 3.23Å; K891-E897 IonicContact NZ-OE1 2.66Å; K891-E897 PolarHBondContact NZ-OE1 3.07Å; E897-V899 HydrophobicContact CB-CG1 4.07Å; E897-V899 PolarHBondContact O-N 2.91Å; E897-V899 VanDerWaalsContact O-N 3.07Å; E897-D900 PolarHBondContact N-OD2 2.89Å; E897-D900 WeakPolarHBondContact O-CB 3.29Å; E897-D900 PolarHBondContact O-N 3.24Å; E897-L901 VanDerWaalsContact O-CD1 3.27Å; E897-L901 WeakPolarHBondContact O-CD1 3.43Å; E897-L901 PolarHBondContact O-N 2.86Å
898	A	98.4	Very high	98.5	Very high	5 Å²	5	37 Å²	37	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-53.5	-32.1	178	0	0	0	0	0	113.3	V887 A902 L923	V887-A898 HydrophobicContact CG2-CB 3.69Å; A898-A902 WeakPolarHBondContact O-CB 3.29Å; A898-A902 PolarHBondContact O-N 3.12Å; A898-L923 HydrophobicContact CB-CD2 4.13Å
899	V	98.1	Very high	98.5	Very high	43 Å²	43	32.7 Å²	32.7	26%	0.261	17%	0.17	S	C	.	.	H	α-helix	trans	-66.9	-34.9	175.3	67.5	0	0	0	0	112.7	E897 A902 K903	E897-V899 HydrophobicContact CB-CG1 4.07Å; E897-V899 PolarHBondContact O-N 2.91Å; E897-V899 VanDerWaalsContact O-N 3.07Å; V899-A902 PolarHBondContact O-N 2.93Å; V899-K903 HydrophobicContact CG2-CG 4.3Å; V899-K903 WeakPolarHBondContact O-CG 3.39Å; V899-K903 PolarHBondContact O-N 2.73Å
900	D	98.7	Very high	98.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-47.3	178.1	-61.8	-49.8	0	0	0	110.7	I896 E897 A902 K903 R904 L965 K966 R1008	I896-D900 WeakPolarHBondContact CA-OD2 3.46Å; I896-D900 HydrophobicContact CD1-CB 4.39Å; I896-D900 HydrophobicContact CG2-CB 4.16Å; E897-D900 PolarHBondContact N-OD2 2.89Å; E897-D900 WeakPolarHBondContact O-CB 3.29Å; E897-D900 PolarHBondContact O-N 3.24Å; D900-A902 VanDerWaalsContact C-N 3.33Å; D900-A902 PolarHBondContact O-N 3.32Å; D900-K903 PolarHBondContact O-N 3.36Å; D900-R904 VanDerWaalsContact O-CB 3.26Å; D900-R904 WeakPolarHBondContact O-CB 3.07Å; D900-R904 PolarHBondContact O-N 3.4Å; D900-L965 HydrophobicContact CB-CB 4.36Å; D900-L965 HydrophobicContact CB-CD2 4.01Å; D900-K966 WeakPolarHBondContact OD1-CD 3.44Å; D900-K966 IonicContact OD1-NZ 2.73Å; D900-K966 IonicContact OD2-NZ 3.63Å; D900-K966 PolarHBondContact OD2-NZ 2.84Å; D900-R1008 IonicContact OD1-CZ 3.68Å; D900-R1008 IonicContact OD1-NH1 3.74Å; D900-R1008 PolarHBondContact OD1-NH1 3.48Å; D900-R1008 IonicContact OD1-NH2 2.75Å
901	L	98.8	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43	175.8	-70.7	85.8	0	0	0	111	Y868 V887 I896 E897 K903 R904 L905 L923 I946 I950 L965	Y868-L901 HydrophobicContact CE1-CD2 3.88Å; V887-L901 HydrophobicContact CG1-CD2 4.09Å; I896-L901 HydrophobicContact CG2-CD1 3.44Å; I896-L901 VanDerWaalsContact CG2-CD1 3.44Å; E897-L901 VanDerWaalsContact O-CD1 3.27Å; E897-L901 WeakPolarHBondContact O-CD1 3.43Å; E897-L901 PolarHBondContact O-N 2.86Å; L901-K903 PolarHBondContact O-N 2.97Å; L901-R904 PolarHBondContact O-N 3.38Å; L901-L905 WeakPolarHBondContact O-CG 3.42Å; L901-L905 PolarHBondContact O-N 3.15Å; L901-L923 HydrophobicContact CB-CD1 4.19Å; L901-L923 HydrophobicContact CD2-CD1 4.41Å; L901-I946 HydrophobicContact CB-CG2 4.43Å; L901-I946 HydrophobicContact CD2-CG2 3.85Å; L901-I946 HydrophobicContact CG-CG2 3.78Å; L901-I950 HydrophobicContact CD1-CD1 4.23Å; L901-I950 HydrophobicContact CD2-CD1 4.14Å; L901-I950 HydrophobicContact CG-CD1 4.32Å; L901-L965 HydrophobicContact CG-CD2 4.25Å
902	A	98.7	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-34.6	179.3	0	0	0	0	0	113.6	A898 V899 D900 A912 M915	A898-A902 WeakPolarHBondContact O-CB 3.29Å; A898-A902 PolarHBondContact O-N 3.12Å; V899-A902 PolarHBondContact O-N 2.93Å; D900-A902 VanDerWaalsContact C-N 3.33Å; D900-A902 PolarHBondContact O-N 3.32Å; A902-A912 HydrophobicContact CB-CB 3.5Å; A902-M915 HydrophobicContact CB-CG 4.02Å; A902-M915 HydrophobicContact CB-SD 3.22Å; A902-M915 WeakPolarHBondContact CB-SD 3.48Å
903	K	98.8	Very high	98.6	Very high	7 Å²	7	15.3 Å²	15.3	3%	0.03	9%	0.088	C	C	.	.	H	α-helix	trans	-74.3	-39.7	170.9	-64.2	-37.5	175.3	179.9	0	111.5	E187 V899 D900 L901 L905 Q906 A968 R1008	E187-K903 WeakPolarHBondContact OE1-CD 3.24Å; E187-K903 WeakPolarHBondContact OE1-CE 3.21Å; E187-K903 IonicContact OE1-NZ 3.82Å; E187-K903 PolarHBondContact OE1-NZ 3.26Å; E187-K903 IonicContact OE2-NZ 2.78Å; E187-K903 PolarHBondContact OE2-NZ 3.03Å; V899-K903 HydrophobicContact CG2-CG 4.3Å; V899-K903 WeakPolarHBondContact O-CG 3.39Å; V899-K903 PolarHBondContact O-N 2.73Å; D900-K903 PolarHBondContact O-N 3.36Å; L901-K903 PolarHBondContact O-N 2.97Å; K903-L905 PolarHBondContact O-N 3.06Å; K903-Q906 VanDerWaalsContact O-CB 3.27Å; K903-Q906 WeakPolarHBondContact O-CB 3.31Å; K903-Q906 WeakPolarHBondContact O-CG 3.42Å; K903-Q906 PolarHBondContact O-N 3.36Å; K903-Q906 VanDerWaalsContact O-N 3.16Å; K903-A968 HydrophobicContact CB-CB 4.09Å; K903-A968 WeakPolarHBondContact CB-O 3.39Å; K903-R1008 HydrophobicContact CG-CG 4.39Å
904	R	98.8	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-37.4	179.9	-172	58.7	177.2	144.5	4.7	112.4	D900 L901 Q906 D907 Y908 I946 E949 P964 L965 A968 Y988 A989	D900-R904 VanDerWaalsContact O-CB 3.26Å; D900-R904 WeakPolarHBondContact O-CB 3.07Å; D900-R904 PolarHBondContact O-N 3.4Å; L901-R904 PolarHBondContact O-N 3.38Å; R904-Q906 PolarHBondContact O-N 3.47Å; R904-Q906 VanDerWaalsContact O-N 3.13Å; R904-D907 WeakPolarHBondContact CD-OD2 3.45Å; R904-D907 IonicContact CZ-OD2 3.35Å; R904-D907 VanDerWaalsContact NH1-CB 3.31Å; R904-D907 IonicContact NH1-OD2 3.64Å; R904-D907 PolarHBondContact NH1-OD2 2.83Å; R904-D907 WeakPolarHBondContact O-CB 3.3Å; R904-D907 PolarHBondContact O-N 3.18Å; R904-Y908 HydrophobicContact CG-CD2 4.42Å; R904-Y908 HydrophobicContact CG-CE2 3.97Å; R904-Y908 WeakPolarHBondContact O-CD2 3.45Å; R904-I946 HydrophobicContact CB-CD1 4.16Å; R904-I946 HydrophobicContact CG-CD1 3.93Å; R904-I946 HydrophobicContact CG-CG1 3.86Å; R904-E949 IonicContact CZ-OE1 3.24Å; R904-E949 VanDerWaalsContact CZ-OE1 3.28Å; R904-E949 IonicContact CZ-OE2 2.82Å; R904-E949 VanDerWaalsContact NE-CD 3.33Å; R904-E949 IonicContact NE-OE1 3.18Å; R904-E949 PolarHBondContact NE-OE1 3.12Å; R904-E949 IonicContact NE-OE2 3.99Å; R904-E949 PolarHBondContact NE-OE2 2.92Å; R904-E949 IonicContact NH2-OE1 2.93Å; R904-E949 PolarHBondContact NH2-OE1 2.97Å; R904-E949 IonicContact NH2-OE2 3.58Å; R904-P964 VanDerWaalsContact CZ-CB 3.42Å; R904-L965 HydrophobicContact CB-CD2 3.78Å; R904-L965 HydrophobicContact CB-CG 4.43Å; R904-L965 HydrophobicContact CG-CD2 4.07Å; R904-L965 HydrophobicContact CG-CG 4.28Å; R904-A968 HydrophobicContact CB-CB 4.03Å; R904-Y988 PolarHBondContact NH2-O 3.45Å; R904-A989 PolarHBondContact NH1-O 2.85Å
905	L	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54.9	-29.2	172.9	-79.5	169.1	0	0	0	113.7	L901 K903 D907 Y908 G909 F910 P913 F939 A942 L943 I946	L901-L905 WeakPolarHBondContact O-CG 3.42Å; L901-L905 PolarHBondContact O-N 3.15Å; K903-L905 PolarHBondContact O-N 3.06Å; L905-D907 VanDerWaalsContact C-N 3.27Å; L905-D907 PolarHBondContact O-N 2.61Å; L905-Y908 CarbonylContact O-C 3.22Å; L905-Y908 WeakPolarHBondContact O-CA 3.48Å; L905-Y908 WeakPolarHBondContact O-CB 3.2Å; L905-Y908 PolarHBondContact O-N 3.25Å; L905-Y908 VanDerWaalsContact O-N 3.1Å; L905-G909 PolarHBondContact O-N 2.9Å; L905-F910 CarbonylContact C-O 3.55Å; L905-F910 HydrophobicContact CB-CB 4.39Å; L905-F910 PolarHBondContact O-N 3.34Å; L905-P913 HydrophobicContact CD1-CG 4.44Å; L905-F939 HydrophobicContact CD1-CE2 4.13Å; L905-F939 HydrophobicContact CD1-CZ 4.19Å; L905-F939 HydrophobicContact CD2-CD2 4.5Å; L905-F939 HydrophobicContact CD2-CE2 4.04Å; L905-A942 HydrophobicContact CD2-CB 4.15Å; L905-L943 HydrophobicContact CD1-CD2 4.37Å; L905-L943 HydrophobicContact CD2-CD2 4.29Å; L905-I946 HydrophobicContact CD2-CD1 3.81Å; L905-I946 HydrophobicContact CG-CD1 3.86Å
906	Q	98.8	Very high	98.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-32.6	175.4	-51.4	178.7	9.4	0	0	111.8	E187 V188 K903 R904 Y908 G909 F910 P969 P1004	E187-Q906 PolarHBondContact OE2-NE2 3.01Å; E187-Q906 VanDerWaalsContact OE2-NE2 3.12Å; V188-Q906 HydrophobicContact CG1-CB 4.1Å; V188-Q906 HydrophobicContact CG1-CG 4.09Å; V188-Q906 HydrophobicContact CG2-CG 4.43Å; K903-Q906 VanDerWaalsContact O-CB 3.27Å; K903-Q906 WeakPolarHBondContact O-CB 3.31Å; K903-Q906 WeakPolarHBondContact O-CG 3.42Å; K903-Q906 PolarHBondContact O-N 3.36Å; K903-Q906 VanDerWaalsContact O-N 3.16Å; R904-Q906 PolarHBondContact O-N 3.47Å; R904-Q906 VanDerWaalsContact O-N 3.13Å; Q906-Y908 VanDerWaalsContact C-N 3.29Å; Q906-Y908 PolarHBondContact O-N 3.45Å; Q906-G909 PolarHBondContact O-N 3.02Å; Q906-G909 VanDerWaalsContact O-N 3.15Å; Q906-F910 WeakPolarHBondContact CA-O 3.31Å; Q906-F910 PolarHBondContact N-O 2.94Å; Q906-P969 HydrophobicContact CB-CB 4.21Å; Q906-P969 VanDerWaalsContact OE1-CB 3.27Å; Q906-P1004 HydrophobicContact CB-CG 4.02Å
907	D	98.8	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.7	-29.8	174.5	-61.7	-31.7	0	0	0	111.9	R904 L905 G909 A968 H970 K1001	R904-D907 WeakPolarHBondContact CD-OD2 3.45Å; R904-D907 IonicContact CZ-OD2 3.35Å; R904-D907 VanDerWaalsContact NH1-CB 3.31Å; R904-D907 IonicContact NH1-OD2 3.64Å; R904-D907 PolarHBondContact NH1-OD2 2.83Å; R904-D907 WeakPolarHBondContact O-CB 3.3Å; R904-D907 PolarHBondContact O-N 3.18Å; L905-D907 VanDerWaalsContact C-N 3.27Å; L905-D907 PolarHBondContact O-N 2.61Å; D907-G909 PolarHBondContact O-N 3.33Å; D907-A968 WeakPolarHBondContact OD2-CB 3.37Å; D907-H970 PolarHBondContact OD1-N 3.01Å; D907-H970 IonicContact OD1-ND1 2.81Å; D907-H970 IonicContact OD2-CE1 3.76Å; D907-H970 IonicContact OD2-CG 2.64Å; D907-H970 IonicContact OD2-ND1 3.63Å; D907-H970 PolarHBondContact OD2-ND1 3.48Å; D907-K1001 PolarHBondContact O-NZ 3.46Å
908	Y	98.8	Very high	98	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.012	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.2	173	-70.7	-106.9	0	0	0	113	R904 L905 Q906 A942 A945 I946 E949 P992 L993 I996	R904-Y908 HydrophobicContact CG-CD2 4.42Å; R904-Y908 HydrophobicContact CG-CE2 3.97Å; R904-Y908 WeakPolarHBondContact O-CD2 3.45Å; L905-Y908 CarbonylContact O-C 3.22Å; L905-Y908 WeakPolarHBondContact O-CA 3.48Å; L905-Y908 WeakPolarHBondContact O-CB 3.2Å; L905-Y908 PolarHBondContact O-N 3.25Å; L905-Y908 VanDerWaalsContact O-N 3.1Å; Q906-Y908 VanDerWaalsContact C-N 3.29Å; Q906-Y908 PolarHBondContact O-N 3.45Å; Y908-A942 HydrophobicContact CD1-CB 3.46Å; Y908-A942 VanDerWaalsContact CD1-CB 3.46Å; Y908-A942 HydrophobicContact CE1-CB 4.18Å; Y908-A942 HydrophobicContact CG-CB 3.82Å; Y908-A945 HydrophobicContact CE1-CB 3.72Å; Y908-A945 WeakPolarHBondContact OH-CB 3.32Å; Y908-I946 HydrophobicContact CD2-CD1 4.1Å; Y908-I946 HydrophobicContact CD2-CG1 4.33Å; Y908-I946 HydrophobicContact CE2-CD1 3.98Å; Y908-I946 HydrophobicContact CE2-CG1 3.7Å; Y908-E949 PolarHBondContact OH-OE1 2.82Å; Y908-P992 HydrophobicContact CD1-CB 4.33Å; Y908-P992 HydrophobicContact CD1-CG 3.64Å; Y908-P992 HydrophobicContact CD2-CG 3.66Å; Y908-P992 HydrophobicContact CE1-CB 3.74Å; Y908-P992 HydrophobicContact CE1-CG 3.57Å; Y908-P992 HydrophobicContact CE2-CB 3.94Å; Y908-P992 HydrophobicContact CE2-CG 3.57Å; Y908-P992 HydrophobicContact CG-CG 3.7Å; Y908-L993 HydrophobicContact CD1-CD1 4Å; Y908-L993 HydrophobicContact CD1-CG 4.32Å; Y908-L993 HydrophobicContact CE1-CD1 3.75Å; Y908-L993 HydrophobicContact CE1-CG 3.87Å; Y908-I996 HydrophobicContact CD1-CD1 4.21Å; Y908-I996 WeakPolarHBondContact O-CG1 3.35Å
909	G	98.4	Very high	97.8	Very high	15 Å²	15	14.3 Å²	14.3	16%	0.155	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	17.2	177.9	0	0	0	0	0	115.1	I566 S571 L905 Q906 D907	I566-G909 WeakPolarHBondContact CD1-O 3.33Å; S571-G909 PolarHBondContact OG-O 3.3Å; L905-G909 PolarHBondContact O-N 2.9Å; Q906-G909 PolarHBondContact O-N 3.02Å; Q906-G909 VanDerWaalsContact O-N 3.15Å; D907-G909 PolarHBondContact O-N 3.33Å
910	F	98.9	Very high	97.7	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	10%	0.102	C	C	.	.			trans	-116.2	144.2	-176.8	-73.2	-75	0	0	0	113.4	M572 L905 Q906 E935 R938 F939 A942 F995	M572-F910 HydrophobicContact CB-CE1 4.41Å; L905-F910 CarbonylContact C-O 3.55Å; L905-F910 HydrophobicContact CB-CB 4.39Å; L905-F910 PolarHBondContact O-N 3.34Å; Q906-F910 WeakPolarHBondContact CA-O 3.31Å; Q906-F910 PolarHBondContact N-O 2.94Å; F910-E935 WeakPolarHBondContact CE1-OE1 3.49Å; F910-R938 HydrophobicContact CE2-CB 4.29Å; F910-R938 HydrophobicContact CZ-CB 3.84Å; F910-F939 HydrophobicContact CB-CD2 4.16Å; F910-F939 HydrophobicContact CB-CE2 4.27Å; F910-F939 AromaticContact CD1-CD2 3.63Å; F910-F939 HydrophobicContact CD1-CD2 3.63Å; F910-F939 HydrophobicContact CD1-CE2 4.42Å; F910-F939 HydrophobicContact CD2-CD2 4.03Å; F910-F939 HydrophobicContact CE1-CB 3.93Å; F910-F939 AromaticContact CE1-CD2 3.91Å; F910-F939 HydrophobicContact CE1-CD2 3.91Å; F910-F939 HydrophobicContact CE1-CG 4.42Å; F910-F939 HydrophobicContact CE2-CB 4.2Å; F910-F939 HydrophobicContact CE2-CD2 4.31Å; F910-F939 AromaticContact CG-CD2 3.68Å; F910-F939 HydrophobicContact CG-CD2 3.68Å; F910-F939 HydrophobicContact CG-CE2 4.29Å; F910-F939 HydrophobicContact CZ-CB 3.76Å; F910-F939 HydrophobicContact CZ-CD2 4.25Å; F910-A942 HydrophobicContact CD2-CB 4.32Å; F910-A942 HydrophobicContact CE2-CB 4.28Å; F910-F995 HydrophobicContact CE2-CE2 4.01Å; F910-F995 HydrophobicContact CE2-CZ 4.14Å
911	H	98.8	Very high	97.5	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.014	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-71.1	142.9	159.1	-169.3	-78.6	0	0	0	108.9	I566 I573	I566-H911 HydrophobicContact CG2-CB 3.87Å; I573-H911 HydrophobicContact CB-CB 4.25Å; I573-H911 HydrophobicContact CD1-CB 4.28Å; I573-H911 HydrophobicContact CG1-CB 3.8Å; I573-H911 HydrophobicContact CG2-CB 3.92Å
912	A	98.6	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-65.7	148.5	177.8	0	0	0	0	0	112.4	Q185 L575 A902	Q185-A912 HydrophobicContact CG-CB 3.96Å; L575-A912 WeakPolarHBondContact CD2-O 3.02Å; A902-A912 HydrophobicContact CB-CB 3.5Å
913	P	98.6	Very high	97.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-65.4	172.9	165.6	29.8	-35.5	0	0	0	111.5	P574 L905 M915 L923 M924 I925 F939	P574-P913 HydrophobicContact CG-CB 4.4Å; P574-P913 WeakPolarHBondContact O-CA 3.24Å; P574-P913 WeakPolarHBondContact O-CB 3.45Å; L905-P913 HydrophobicContact CD1-CG 4.44Å; P913-M915 PolarHBondContact O-N 3Å; P913-L923 HydrophobicContact CG-CB 3.97Å; P913-L923 HydrophobicContact CG-CD1 4.15Å; P913-L923 HydrophobicContact CG-CD2 4.32Å; P913-L923 HydrophobicContact CG-CG 4.37Å; P913-M924 WeakPolarHBondContact CB-O 3.28Å; P913-I925 HydrophobicContact CB-CG1 3.67Å; P913-I925 HydrophobicContact CG-CG1 4.02Å; P913-F939 HydrophobicContact CG-CZ 4.15Å
914	T	98.4	Very high	97.5	Very high	17 Å²	17	16.5 Å²	16.5	10%	0.104	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	122.1	-174.9	-70.7	0	0	0	0	110.3	L575 G576 W917 L923 M924	L575-T914 WeakPolarHBondContact CA-OG1 3.21Å; G576-T914 PolarHBondContact N-OG1 2.87Å; G576-T914 PolarHBondContact O-OG1 3.45Å; T914-W917 HydrophobicContact CG2-CE3 4Å; T914-L923 CarbonylContact O-C 3.54Å; T914-L923 WeakPolarHBondContact O-CA 3.39Å; T914-M924 PolarHBondContact N-O 3.04Å; T914-M924 PolarHBondContact O-N 2.84Å
915	M	96.9	Very high	97.5	Very high	63 Å²	63	16.5 Å²	16.5	31%	0.31	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.7	-172	-65.9	-155.8	-59.8	0	0	113.2	A902 P913 W917 L923	A902-M915 HydrophobicContact CB-CG 4.02Å; A902-M915 HydrophobicContact CB-SD 3.22Å; A902-M915 WeakPolarHBondContact CB-SD 3.48Å; P913-M915 PolarHBondContact O-N 3Å; M915-W917 PolarHBondContact O-N 3.03Å; M915-L923 HydrophobicContact CB-CD2 4.49Å; M915-L923 HydrophobicContact CG-CD2 3.92Å
916	S	95.3	Very high	97.5	Very high	59 Å²	59	16.6 Å²	16.6	41%	0.413	11%	0.111	S	C	.	.	S	Bend	trans	55.5	13.6	165.6	-69.3	0	0	0	0	116.6	V919 A920 G921 T922	S916-V919 CarbonylContact C-O 3.46Å; S916-V919 VanDerWaalsContact CA-O 3.24Å; S916-V919 WeakPolarHBondContact CA-O 3.48Å; S916-V919 CarbonylContact O-C 3.4Å; S916-A920 WeakPolarHBondContact O-CA 3.49Å; S916-G921 PolarHBondContact OG-N 3.42Å; S916-T922 PolarHBondContact N-O 3.11Å
917	W	94.8	Very high	97.5	Very high	33 Å²	33	16.6 Å²	16.6	13%	0.125	11%	0.112	C	C	.	.	S	Bend	trans	-136.6	141.1	170.5	177.8	85.5	0	0	0	108.4	H671 T722 T914 M915 V919 M924	H671-W917 HydrophobicContact CB-CH2 4.13Å; H671-W917 HydrophobicContact CB-CZ2 3.66Å; H671-W917 AromaticContact CD2-CE2 3.83Å; H671-W917 AromaticContact CD2-CH2 3.82Å; H671-W917 AromaticContact CD2-CZ2 3.63Å; T722-W917 HydrophobicContact CG2-CH2 3.7Å; T722-W917 HydrophobicContact CG2-CZ2 3.8Å; T914-W917 HydrophobicContact CG2-CE3 4Å; M915-W917 PolarHBondContact O-N 3.03Å; W917-V919 VanDerWaalsContact C-N 3.32Å; W917-M924 HydrophobicContact CE3-CE 4Å; W917-M924 HydrophobicContact CH2-CE 4.24Å; W917-M924 HydrophobicContact CZ3-CE 3.45Å; W917-M924 VanDerWaalsContact CZ3-CE 3.45Å
918	P	93.3	Very high	97.5	Very high	28 Å²	28	16.6 Å²	16.6	18%	0.182	11%	0.112	C	C	.	.	S	Bend	cis	-74.6	-7.9	-3.5	32.4	-39.4	0	0	0	115.3	T722 F723 I884 M924	T722-P918 WeakPolarHBondContact O-CG 3.31Å; F723-P918 HydrophobicContact CD1-CB 4.24Å; F723-P918 HydrophobicContact CD1-CG 3.41Å; F723-P918 VanDerWaalsContact CD1-CG 3.41Å; F723-P918 HydrophobicContact CE1-CB 3.9Å; F723-P918 HydrophobicContact CE1-CG 3.53Å; I884-P918 HydrophobicContact CD1-CG 3.76Å; P918-M924 VanDerWaalsContact CD-SD 3.54Å; P918-M924 HydrophobicContact CG-SD 4.36Å
919	V	95.6	Very high	97.5	Very high	21 Å²	21	16.4 Å²	16.4	13%	0.127	11%	0.111	C	C	.	.	S	Bend	trans	-112	128.4	176.9	-175.4	0	0	0	0	110.5	F723 L871 F872 S916 W917 G921 T922	F723-V919 HydrophobicContact CD1-CG2 4.44Å; F723-V919 HydrophobicContact CE1-CG2 3.79Å; L871-V919 HydrophobicContact CD2-CB 4.32Å; L871-V919 HydrophobicContact CD2-CG1 4.2Å; L871-V919 HydrophobicContact CD2-CG2 4.02Å; F872-V919 HydrophobicContact CE2-CG2 3.97Å; F872-V919 HydrophobicContact CZ-CG2 4.45Å; S916-V919 CarbonylContact C-O 3.46Å; S916-V919 VanDerWaalsContact CA-O 3.24Å; S916-V919 WeakPolarHBondContact CA-O 3.48Å; S916-V919 CarbonylContact O-C 3.4Å; W917-V919 VanDerWaalsContact C-N 3.32Å; V919-G921 PolarHBondContact O-N 2.91Å; V919-T922 HydrophobicContact CB-CG2 3.83Å; V919-T922 HydrophobicContact CG1-CG2 3.7Å; V919-T922 PolarHBondContact O-N 3.16Å; V919-T922 PolarHBondContact O-OG1 3.21Å
920	A	94.5	Very high	97.6	Very high	77 Å²	77	16.9 Å²	16.9	64%	0.636	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	131.4	179.2	0	0	0	0	0	111.6	R888 S916	R888-A920 WeakPolarHBondContact CD-O 3.35Å; S916-A920 WeakPolarHBondContact O-CA 3.49Å
921	G	95.9	Very high	97.5	Very high	22 Å²	22	18.2 Å²	18.2	23%	0.227	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	17.1	-179.7	0	0	0	0	0	115.2	V887 R888 S916 V919	V887-G921 WeakPolarHBondContact CG2-O 3.49Å; R888-G921 VanDerWaalsContact CG-O 3.23Å; R888-G921 WeakPolarHBondContact CG-O 3.29Å; S916-G921 PolarHBondContact OG-N 3.42Å; V919-G921 PolarHBondContact O-N 2.91Å
922	T	98.5	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.133	C	C	.	.			trans	-112.2	172.1	172	67.4	0	0	0	0	111.9	L871 I884 L885 R888 S916 V919	L871-T922 HydrophobicContact CD2-CG2 4.11Å; I884-T922 HydrophobicContact CG2-CG2 4.03Å; I884-T922 WeakPolarHBondContact CG2-OG1 3.42Å; L885-T922 WeakPolarHBondContact O-CA 3.45Å; L885-T922 VanDerWaalsContact O-CB 3.26Å; L885-T922 WeakPolarHBondContact O-CB 3.39Å; R888-T922 HydrophobicContact CG-CG2 4.25Å; S916-T922 PolarHBondContact N-O 3.11Å; V919-T922 HydrophobicContact CB-CG2 3.83Å; V919-T922 HydrophobicContact CG1-CG2 3.7Å; V919-T922 PolarHBondContact O-N 3.16Å; V919-T922 PolarHBondContact O-OG1 3.21Å
923	L	98.8	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.2	170.2	-62.7	178.9	0	0	0	109.5	I884 L885 V887 A898 L901 P913 T914 M915	I884-L923 CarbonylContact C-O 3.59Å; I884-L923 WeakPolarHBondContact CA-O 3.35Å; L885-L923 PolarHBondContact N-O 3.38Å; L885-L923 PolarHBondContact O-N 3.24Å; V887-L923 HydrophobicContact CG1-CD1 4.36Å; V887-L923 HydrophobicContact CG1-CG 4.48Å; V887-L923 HydrophobicContact CG2-CG 4.39Å; A898-L923 HydrophobicContact CB-CD2 4.13Å; L901-L923 HydrophobicContact CB-CD1 4.19Å; L901-L923 HydrophobicContact CD2-CD1 4.41Å; P913-L923 HydrophobicContact CG-CB 3.97Å; P913-L923 HydrophobicContact CG-CD1 4.15Å; P913-L923 HydrophobicContact CG-CD2 4.32Å; P913-L923 HydrophobicContact CG-CG 4.37Å; T914-L923 CarbonylContact O-C 3.54Å; T914-L923 WeakPolarHBondContact O-CA 3.39Å; M915-L923 HydrophobicContact CB-CD2 4.49Å; M915-L923 HydrophobicContact CG-CD2 3.92Å
924	M	98.8	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.3	178.6	-167.7	164.2	79.7	0	0	112.1	G576 E882 F883 I884 P913 T914 W917 P918	G576-M924 WeakPolarHBondContact CA-O 3.46Å; G576-M924 PolarHBondContact N-O 3.35Å; E882-M924 WeakPolarHBondContact OE2-CE 3.47Å; F883-M924 WeakPolarHBondContact O-CA 3.47Å; I884-M924 HydrophobicContact CD1-CG 4.46Å; I884-M924 HydrophobicContact CD1-SD 3.82Å; I884-M924 HydrophobicContact CG1-CB 3.99Å; I884-M924 HydrophobicContact CG1-CG 3.65Å; I884-M924 HydrophobicContact CG1-SD 3.62Å; P913-M924 WeakPolarHBondContact CB-O 3.28Å; T914-M924 PolarHBondContact N-O 3.04Å; T914-M924 PolarHBondContact O-N 2.84Å; W917-M924 HydrophobicContact CE3-CE 4Å; W917-M924 HydrophobicContact CH2-CE 4.24Å; W917-M924 HydrophobicContact CZ3-CE 3.45Å; W917-M924 VanDerWaalsContact CZ3-CE 3.45Å; P918-M924 VanDerWaalsContact CD-SD 3.54Å; P918-M924 HydrophobicContact CG-SD 4.36Å
925	I	98.9	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	-166.1	-64.5	164.9	0	0	0	109.4	P574 M860 E882 F883 L885 P913 F939 L943	P574-I925 HydrophobicContact CB-CG2 4.14Å; P574-I925 WeakPolarHBondContact O-CA 3.36Å; M860-I925 HydrophobicContact CE-CG2 4.09Å; M860-I925 HydrophobicContact SD-CG2 4.37Å; E882-I925 CarbonylContact C-O 3.59Å; E882-I925 WeakPolarHBondContact CA-O 3.37Å; E882-I925 WeakPolarHBondContact CB-O 3.25Å; F883-I925 HydrophobicContact CD1-CB 4.31Å; F883-I925 HydrophobicContact CD1-CG2 4.42Å; F883-I925 HydrophobicContact CE1-CB 3.87Å; F883-I925 HydrophobicContact CE1-CG2 3.59Å; F883-I925 HydrophobicContact CE2-CB 4.18Å; F883-I925 HydrophobicContact CE2-CD1 3.71Å; F883-I925 HydrophobicContact CE2-CG1 4.5Å; F883-I925 HydrophobicContact CE2-CG2 4.48Å; F883-I925 HydrophobicContact CZ-CB 3.8Å; F883-I925 HydrophobicContact CZ-CD1 3.77Å; F883-I925 HydrophobicContact CZ-CG1 4.4Å; F883-I925 HydrophobicContact CZ-CG2 3.64Å; F883-I925 PolarHBondContact N-O 2.99Å; F883-I925 PolarHBondContact O-N 2.84Å; L885-I925 HydrophobicContact CD1-CD1 3.59Å; L885-I925 HydrophobicContact CG-CD1 3.83Å; P913-I925 HydrophobicContact CB-CG1 3.67Å; P913-I925 HydrophobicContact CG-CG1 4.02Å; I925-F939 HydrophobicContact CD1-CE1 3.99Å; I925-F939 HydrophobicContact CG1-CE1 4.3Å; I925-F939 HydrophobicContact CG2-CE1 4.41Å; I925-L943 HydrophobicContact CD1-CD1 4.04Å
926	E	98.9	Very high	97.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.14	C	C	.	.			trans	-131.4	106.4	171.8	178.8	-172.5	-178.5	0	0	108.4	P574 S577 C578 T579 H881 E882 T928	P574-E926 CarbonylContact C-O 3.57Å; P574-E926 VanDerWaalsContact CA-O 3.25Å; P574-E926 WeakPolarHBondContact CA-O 3.36Å; P574-E926 PolarHBondContact O-N 3.24Å; S577-E926 WeakPolarHBondContact CA-OE2 3.2Å; S577-E926 PolarHBondContact N-OE2 2.85Å; S577-E926 VanDerWaalsContact N-OE2 3.12Å; C578-E926 PolarHBondContact N-OE2 2.85Å; T579-E926 VanDerWaalsContact CA-CD 3.49Å; T579-E926 WeakPolarHBondContact CA-OE1 3.42Å; T579-E926 WeakPolarHBondContact CB-OE1 3.14Å; T579-E926 WeakPolarHBondContact CG2-OE1 3.47Å; T579-E926 VanDerWaalsContact N-CD 3.3Å; T579-E926 PolarHBondContact N-OE1 3.03Å; T579-E926 PolarHBondContact N-OE2 3.15Å; T579-E926 PolarHBondContact OG1-OE1 2.9Å; H881-E926 IonicContact CD2-OE1 3.47Å; H881-E926 PolarHBondContact CD2-OE1 3.16Å; E882-E926 HydrophobicContact CB-CB 3.85Å; E882-E926 HydrophobicContact CB-CG 4.28Å; E926-T928 HydrophobicContact CG-CG2 4.37Å
927	P	98.7	Very high	97.8	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.013	13%	0.127	C	C	.	.			trans	-81.1	-17.1	-179.6	30.6	-34.4	0	0	0	114.2	M572 N856 A857 M860 E931 M936	M572-P927 HydrophobicContact SD-CB 3.84Å; N856-P927 HydrophobicContact CB-CB 4.31Å; N856-P927 HydrophobicContact CB-CG 3.68Å; A857-P927 HydrophobicContact CB-CG 4.33Å; M860-P927 HydrophobicContact SD-CB 3.56Å; M860-P927 VanDerWaalsContact SD-CB 3.56Å; M860-P927 HydrophobicContact SD-CG 3.73Å; P927-E931 WeakPolarHBondContact O-CG 3.34Å; P927-M936 HydrophobicContact CB-CG 4.34Å; P927-M936 HydrophobicContact CB-SD 4.21Å; P927-M936 HydrophobicContact CG-SD 4.45Å
928	T	98.8	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-178	-167	83.1	0	0	0	0	113.7	T579 K581 N856 E926 S930	T579-T928 HydrophobicContact CG2-CG2 3.72Å; K581-T928 HydrophobicContact CB-CG2 4.13Å; N856-T928 WeakPolarHBondContact CB-O 3.39Å; N856-T928 PolarHBondContact ND2-O 2.62Å; E926-T928 HydrophobicContact CG-CG2 4.37Å; T928-S930 PolarHBondContact OG1-N 3.23Å
929	E	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.7	176.6	70.4	-86.1	-159.8	0	0	114.9	H87 I88 G89 K581 N752 Y837 A849 V852 A853	H87-E929 IonicContact CD2-OE1 2.75Å; H87-E929 PolarHBondContact CD2-OE1 3.12Å; H87-E929 IonicContact CE1-OE1 2.91Å; H87-E929 IonicContact NE2-OE1 2.66Å; H87-E929 PolarHBondContact NE2-OE1 3.46Å; I88-E929 WeakPolarHBondContact CA-O 3.43Å; I88-E929 HydrophobicContact CG1-CG 4.23Å; G89-E929 PolarHBondContact N-O 3.03Å; K581-E929 WeakPolarHBondContact CE-OE1 3.46Å; K581-E929 IonicContact NZ-OE1 2.69Å; K581-E929 PolarHBondContact NZ-OE1 3.19Å; K581-E929 IonicContact NZ-OE2 3.79Å; N752-E929 PolarHBondContact ND2-OE2 2.75Å; Y837-E929 PolarHBondContact OH-OE1 2.81Å; A849-E929 HydrophobicContact CB-CB 4.46Å; A849-E929 HydrophobicContact CB-CG 3.81Å; A849-E929 VanDerWaalsContact O-CB 3.28Å; A849-E929 WeakPolarHBondContact O-CB 3.43Å; V852-E929 HydrophobicContact CB-CB 4.27Å; V852-E929 HydrophobicContact CG1-CB 4.38Å; A853-E929 HydrophobicContact CB-CB 4.18Å
930	S	98.9	Very high	98.5	Very high	24 Å²	24	19.9 Å²	19.9	17%	0.168	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.2	-169.6	-62.7	0	0	0	0	114.1	H87 G89 L582 T928	H87-S930 VanDerWaalsContact O-CA 3.25Å; H87-S930 WeakPolarHBondContact O-CA 3.19Å; H87-S930 WeakPolarHBondContact O-CB 3.41Å; H87-S930 PolarHBondContact O-OG 3.15Å; G89-S930 WeakPolarHBondContact CA-O 3.27Å; G89-S930 PolarHBondContact N-O 3.39Å; L582-S930 PolarHBondContact N-OG 2.7Å; L582-S930 VanDerWaalsContact N-OG 3.15Å; T928-S930 PolarHBondContact OG1-N 3.23Å
931	E	98.8	Very high	98.7	Very high	31 Å²	31	19.1 Å²	19.1	15%	0.145	11%	0.107	C	C	.	.	S	Bend	trans	-85.1	132.8	-176.9	-59.3	-69.4	-175	0	0	111.5	P90 M572 N856 P927	P90-E931 VanDerWaalsContact CD-O 3.3Å; P90-E931 WeakPolarHBondContact CD-O 3.24Å; P90-E931 WeakPolarHBondContact CG-O 3.45Å; M572-E931 VanDerWaalsContact CA-OE1 3.26Å; M572-E931 WeakPolarHBondContact CA-OE1 3.42Å; M572-E931 HydrophobicContact CB-CG 4.07Å; M572-E931 WeakPolarHBondContact CB-OE1 3.36Å; M572-E931 HydrophobicContact CG-CG 3.74Å; M572-E931 HydrophobicContact SD-CB 4.11Å; M572-E931 HydrophobicContact SD-CG 3.81Å; N856-E931 PolarHBondContact ND2-O 3.31Å; P927-E931 WeakPolarHBondContact O-CG 3.34Å
932	D	98.8	Very high	98.8	Very high	63 Å²	63	18.1 Å²	18.1	34%	0.337	10%	0.096	S	C	.	.			trans	-74.6	165.8	179.9	84.6	18.8	0	0	0	112.5	A934 E935 M936	D932-A934 PolarHBondContact O-N 2.76Å; D932-A934 VanDerWaalsContact OD1-CA 3.27Å; D932-A934 WeakPolarHBondContact OD1-CA 3.49Å; D932-A934 VanDerWaalsContact OD1-CB 3.31Å; D932-A934 WeakPolarHBondContact OD1-CB 3.2Å; D932-A934 PolarHBondContact OD1-N 3.12Å; D932-E935 PolarHBondContact O-N 3.13Å; D932-E935 PolarHBondContact OD1-N 3.22Å; D932-M936 PolarHBondContact O-N 3.22Å; D932-M936 VanDerWaalsContact O-N 3.11Å
933	K	98.8	Very high	98.8	Very high	29 Å²	29	18.1 Å²	18.1	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-32.6	178.8	-176.5	-172.8	173.5	-66.6	0	112.8	E94 E97 M98 Y859 D937	E94-K933 HydrophobicContact CB-CB 3.77Å; E94-K933 HydrophobicContact CB-CD 3.79Å; E94-K933 HydrophobicContact CB-CG 4.4Å; E94-K933 HydrophobicContact CG-CB 3.78Å; E94-K933 HydrophobicContact CG-CD 3.84Å; E94-K933 HydrophobicContact CG-CG 4.45Å; E97-K933 HydrophobicContact CB-CD 4.23Å; E97-K933 WeakPolarHBondContact OE2-CD 3.49Å; E97-K933 VanDerWaalsContact OE2-CE 3.26Å; E97-K933 WeakPolarHBondContact OE2-CE 3.43Å; E97-K933 IonicContact OE2-NZ 3.95Å; M98-K933 HydrophobicContact CG-CD 3.9Å; M98-K933 HydrophobicContact CG-CG 4.02Å; M98-K933 HydrophobicContact SD-CB 4.14Å; M98-K933 HydrophobicContact SD-CD 4.41Å; M98-K933 HydrophobicContact SD-CG 4.15Å; Y859-K933 HydrophobicContact CE1-CG 4.12Å; Y859-K933 VanDerWaalsContact OH-CE 3.26Å; Y859-K933 WeakPolarHBondContact OH-CE 3.4Å; Y859-K933 PolarHBondContact OH-NZ 3.39Å; K933-D937 IonicContact NZ-OD2 3.45Å; K933-D937 PolarHBondContact NZ-OD2 3.15Å; K933-D937 VanDerWaalsContact O-CB 3.28Å; K933-D937 WeakPolarHBondContact O-CB 3.34Å; K933-D937 VanDerWaalsContact O-CG 3.25Å; K933-D937 PolarHBondContact O-N 2.93Å
934	A	98.8	Very high	98.8	Very high	43 Å²	43	19.8 Å²	19.8	36%	0.355	11%	0.105	S	C	.	.	H	α-helix	trans	-74.1	-31.8	-177.8	0	0	0	0	0	112.1	D932 R938	D932-A934 PolarHBondContact O-N 2.76Å; D932-A934 VanDerWaalsContact OD1-CA 3.27Å; D932-A934 WeakPolarHBondContact OD1-CA 3.49Å; D932-A934 VanDerWaalsContact OD1-CB 3.31Å; D932-A934 WeakPolarHBondContact OD1-CB 3.2Å; D932-A934 PolarHBondContact OD1-N 3.12Å; A934-R938 VanDerWaalsContact C-NH1 3.33Å; A934-R938 VanDerWaalsContact O-CG 3.28Å; A934-R938 WeakPolarHBondContact O-CG 3.43Å; A934-R938 PolarHBondContact O-N 2.76Å; A934-R938 PolarHBondContact O-NH1 2.98Å
935	E	98.9	Very high	98.8	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-72.2	-43.8	171.9	-173.5	66.4	178.4	0	0	111.5	S571 M572 F910 D932 D937 R938 F939	S571-E935 VanDerWaalsContact CA-OE1 3.24Å; S571-E935 WeakPolarHBondContact CA-OE1 3.47Å; S571-E935 WeakPolarHBondContact CB-OE1 3.36Å; M572-E935 HydrophobicContact CB-CG 3.58Å; M572-E935 PolarHBondContact N-OE1 3.44Å; F910-E935 WeakPolarHBondContact CE1-OE1 3.49Å; D932-E935 PolarHBondContact O-N 3.13Å; D932-E935 PolarHBondContact OD1-N 3.22Å; E935-D937 VanDerWaalsContact C-N 3.29Å; E935-D937 PolarHBondContact O-N 2.95Å; E935-R938 PolarHBondContact O-N 2.99Å; E935-R938 IonicContact OE2-CZ 2.71Å; E935-R938 IonicContact OE2-NE 3.82Å; E935-R938 PolarHBondContact OE2-NE 3.18Å; E935-R938 IonicContact OE2-NH2 3.14Å; E935-R938 PolarHBondContact OE2-NH2 2.82Å; E935-F939 PolarHBondContact O-N 3.06Å
936	M	98.8	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-40.2	170.7	-72.4	-171.6	-76	0	0	112.2	P90 M98 N856 Y859 M860 P927 D932 F939 C940	P90-M936 HydrophobicContact CG-CE 4.05Å; M98-M936 HydrophobicContact CE-CE 3.45Å; M98-M936 VanDerWaalsContact CE-CE 3.45Å; M98-M936 HydrophobicContact CE-SD 4.28Å; M98-M936 HydrophobicContact SD-CE 4.07Å; N856-M936 HydrophobicContact CB-CE 4.03Å; N856-M936 HydrophobicContact CB-SD 3.44Å; N856-M936 WeakPolarHBondContact CB-SD 3.42Å; N856-M936 VanDerWaalsContact CG-CE 3.47Å; N856-M936 VanDerWaalsContact CG-SD 3.57Å; Y859-M936 HydrophobicContact CD1-SD 4.47Å; M860-M936 HydrophobicContact CG-CB 3.95Å; M860-M936 HydrophobicContact CG-CG 4.01Å; M860-M936 HydrophobicContact CG-SD 3.9Å; M860-M936 HydrophobicContact SD-CB 4.11Å; M860-M936 HydrophobicContact SD-CG 3.7Å; M860-M936 HydrophobicContact SD-SD 3.97Å; P927-M936 HydrophobicContact CB-CG 4.34Å; P927-M936 HydrophobicContact CB-SD 4.21Å; P927-M936 HydrophobicContact CG-SD 4.45Å; D932-M936 PolarHBondContact O-N 3.22Å; D932-M936 VanDerWaalsContact O-N 3.11Å; M936-F939 PolarHBondContact O-N 3.47Å; M936-C940 WeakPolarHBondContact O-CB 3.28Å; M936-C940 PolarHBondContact O-N 3.41Å; M936-C940 PolarHBondContact O-SG 3.11Å
937	D	98.9	Very high	98.8	Very high	27 Å²	27	23 Å²	23	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-44.4	174.6	-80.2	-31.9	0	0	0	111.7	Y859 R863 K933 E935 F939 C940 D941	Y859-D937 PolarHBondContact OH-OD1 3.08Å; Y859-D937 PolarHBondContact OH-OD2 2.81Å; R863-D937 VanDerWaalsContact CD-OD1 3.26Å; R863-D937 WeakPolarHBondContact CD-OD1 3.39Å; R863-D937 IonicContact CZ-OD1 3.47Å; R863-D937 IonicContact NE-OD1 3.18Å; R863-D937 IonicContact NH1-OD1 3.39Å; R863-D937 PolarHBondContact NH1-OD1 3.34Å; K933-D937 IonicContact NZ-OD2 3.45Å; K933-D937 PolarHBondContact NZ-OD2 3.15Å; K933-D937 VanDerWaalsContact O-CB 3.28Å; K933-D937 WeakPolarHBondContact O-CB 3.34Å; K933-D937 VanDerWaalsContact O-CG 3.25Å; K933-D937 PolarHBondContact O-N 2.93Å; E935-D937 VanDerWaalsContact C-N 3.29Å; E935-D937 PolarHBondContact O-N 2.95Å; D937-F939 VanDerWaalsContact C-N 3.31Å; D937-F939 PolarHBondContact O-N 3.48Å; D937-C940 PolarHBondContact O-N 3.47Å; D937-D941 WeakPolarHBondContact O-CB 3.43Å; D937-D941 PolarHBondContact O-N 3.34Å
938	R	98.9	Very high	98.8	Very high	81 Å²	81	27.4 Å²	27.4	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-56.8	-42.8	174.4	-77.6	-177.6	-66.8	-87.3	11.7	112.1	F910 A934 E935 A942 F995	F910-R938 HydrophobicContact CE2-CB 4.29Å; F910-R938 HydrophobicContact CZ-CB 3.84Å; A934-R938 VanDerWaalsContact C-NH1 3.33Å; A934-R938 VanDerWaalsContact O-CG 3.28Å; A934-R938 WeakPolarHBondContact O-CG 3.43Å; A934-R938 PolarHBondContact O-N 2.76Å; A934-R938 PolarHBondContact O-NH1 2.98Å; E935-R938 PolarHBondContact O-N 2.99Å; E935-R938 IonicContact OE2-CZ 2.71Å; E935-R938 IonicContact OE2-NE 3.82Å; E935-R938 PolarHBondContact OE2-NE 3.18Å; E935-R938 IonicContact OE2-NH2 3.14Å; E935-R938 PolarHBondContact OE2-NH2 2.82Å; R938-A942 WeakPolarHBondContact O-CB 3.38Å; R938-A942 PolarHBondContact O-N 3.4Å; R938-F995 HydrophobicContact CB-CD1 4.37Å; R938-F995 HydrophobicContact CB-CD2 4.3Å; R938-F995 HydrophobicContact CB-CE1 4.08Å; R938-F995 HydrophobicContact CB-CE2 4.02Å; R938-F995 HydrophobicContact CB-CG 4.47Å; R938-F995 HydrophobicContact CB-CZ 3.91Å; R938-F995 HydrophobicContact CG-CB 4.28Å; R938-F995 HydrophobicContact CG-CD1 3.88Å; R938-F995 HydrophobicContact CG-CD2 3.96Å; R938-F995 HydrophobicContact CG-CE1 4.11Å; R938-F995 HydrophobicContact CG-CE2 4.2Å; R938-F995 HydrophobicContact CG-CG 3.8Å; R938-F995 HydrophobicContact CG-CZ 4.27Å; R938-F995 VanDerWaalsContact O-CZ 3.29Å; R938-F995 WeakPolarHBondContact O-CZ 3.36Å
939	F	98.9	Very high	98.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.3	-40	177.6	-173.6	-91.8	0	0	0	112.8	M572 P574 M860 L905 F910 P913 I925 E935 M936 D937 A942 L943	M572-F939 HydrophobicContact CE-CB 3.37Å; M572-F939 HydrophobicContact CE-CD1 4.19Å; M572-F939 HydrophobicContact CE-CD2 4.06Å; M572-F939 HydrophobicContact CE-CG 3.62Å; P574-F939 HydrophobicContact CG-CD2 4.03Å; P574-F939 HydrophobicContact CG-CE1 4.12Å; P574-F939 HydrophobicContact CG-CE2 3.49Å; P574-F939 VanDerWaalsContact CG-CE2 3.49Å; P574-F939 HydrophobicContact CG-CZ 3.54Å; M860-F939 HydrophobicContact CE-CB 4.17Å; M860-F939 HydrophobicContact CE-CD1 3.32Å; M860-F939 HydrophobicContact CE-CE1 4.03Å; M860-F939 HydrophobicContact CE-CG 4.07Å; L905-F939 HydrophobicContact CD1-CE2 4.13Å; L905-F939 HydrophobicContact CD1-CZ 4.19Å; L905-F939 HydrophobicContact CD2-CD2 4.5Å; L905-F939 HydrophobicContact CD2-CE2 4.04Å; F910-F939 HydrophobicContact CB-CD2 4.16Å; F910-F939 HydrophobicContact CB-CE2 4.27Å; F910-F939 AromaticContact CD1-CD2 3.63Å; F910-F939 HydrophobicContact CD1-CD2 3.63Å; F910-F939 HydrophobicContact CD1-CE2 4.42Å; F910-F939 HydrophobicContact CD2-CD2 4.03Å; F910-F939 HydrophobicContact CE1-CB 3.93Å; F910-F939 AromaticContact CE1-CD2 3.91Å; F910-F939 HydrophobicContact CE1-CD2 3.91Å; F910-F939 HydrophobicContact CE1-CG 4.42Å; F910-F939 HydrophobicContact CE2-CB 4.2Å; F910-F939 HydrophobicContact CE2-CD2 4.31Å; F910-F939 AromaticContact CG-CD2 3.68Å; F910-F939 HydrophobicContact CG-CD2 3.68Å; F910-F939 HydrophobicContact CG-CE2 4.29Å; F910-F939 HydrophobicContact CZ-CB 3.76Å; F910-F939 HydrophobicContact CZ-CD2 4.25Å; P913-F939 HydrophobicContact CG-CZ 4.15Å; I925-F939 HydrophobicContact CD1-CE1 3.99Å; I925-F939 HydrophobicContact CG1-CE1 4.3Å; I925-F939 HydrophobicContact CG2-CE1 4.41Å; E935-F939 PolarHBondContact O-N 3.06Å; M936-F939 PolarHBondContact O-N 3.47Å; D937-F939 VanDerWaalsContact C-N 3.31Å; D937-F939 PolarHBondContact O-N 3.48Å; F939-A942 PolarHBondContact O-N 3.27Å; F939-L943 HydrophobicContact CD1-CD1 3.96Å; F939-L943 HydrophobicContact CD1-CG 4.33Å; F939-L943 HydrophobicContact CE1-CD1 3.52Å; F939-L943 HydrophobicContact CE1-CG 4.01Å; F939-L943 HydrophobicContact CZ-CD1 4.31Å; F939-L943 HydrophobicContact CZ-CG 4.46Å; F939-L943 PolarHBondContact O-N 2.93Å
940	C	98.9	Very high	98.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-44	174.1	-69.4	0	0	0	0	111.3	R863 V864 M936 D937 A942 L943 L944	R863-C940 HydrophobicContact CB-CB 4.29Å; V864-C940 HydrophobicContact CG1-CB 4.29Å; M936-C940 WeakPolarHBondContact O-CB 3.28Å; M936-C940 PolarHBondContact O-N 3.41Å; M936-C940 PolarHBondContact O-SG 3.11Å; D937-C940 PolarHBondContact O-N 3.47Å; C940-A942 VanDerWaalsContact C-N 3.34Å; C940-A942 PolarHBondContact O-N 3.03Å; C940-L943 PolarHBondContact O-N 2.84Å; C940-L944 VanDerWaalsContact O-CG 3.24Å; C940-L944 WeakPolarHBondContact O-CG 3.48Å; C940-L944 PolarHBondContact O-N 3.48Å
941	D	98.9	Very high	98.8	Very high	61 Å²	61	26.8 Å²	26.8	33%	0.326	14%	0.138	S	C	.	.	H	α-helix	trans	-65.7	-36.7	178.4	-67.8	-9.4	0	0	0	111.5	R863 D937 L944 A945 L993	R863-D941 IonicContact CZ-OD1 3.23Å; R863-D941 VanDerWaalsContact CZ-OD1 3.22Å; R863-D941 IonicContact NH1-OD1 2.89Å; R863-D941 PolarHBondContact NH1-OD1 2.92Å; R863-D941 IonicContact NH2-OD1 3.9Å; R863-D941 PolarHBondContact NH2-OD1 2.97Å; D937-D941 WeakPolarHBondContact O-CB 3.43Å; D937-D941 PolarHBondContact O-N 3.34Å; D941-L944 PolarHBondContact O-N 3.18Å; D941-A945 WeakPolarHBondContact O-CB 3.27Å; D941-A945 PolarHBondContact O-N 2.99Å; D941-L993 HydrophobicContact CB-CD1 4.19Å
942	A	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-45.7	170.5	0	0	0	0	0	112.3	L905 Y908 F910 R938 F939 C940 L944 A945 I946 F995	L905-A942 HydrophobicContact CD2-CB 4.15Å; Y908-A942 HydrophobicContact CD1-CB 3.46Å; Y908-A942 VanDerWaalsContact CD1-CB 3.46Å; Y908-A942 HydrophobicContact CE1-CB 4.18Å; Y908-A942 HydrophobicContact CG-CB 3.82Å; F910-A942 HydrophobicContact CD2-CB 4.32Å; F910-A942 HydrophobicContact CE2-CB 4.28Å; R938-A942 WeakPolarHBondContact O-CB 3.38Å; R938-A942 PolarHBondContact O-N 3.4Å; F939-A942 PolarHBondContact O-N 3.27Å; C940-A942 VanDerWaalsContact C-N 3.34Å; C940-A942 PolarHBondContact O-N 3.03Å; A942-L944 VanDerWaalsContact C-N 3.35Å; A942-L944 PolarHBondContact O-N 3.4Å; A942-A945 PolarHBondContact O-N 3.2Å; A942-I946 WeakPolarHBondContact O-CB 3.15Å; A942-I946 VanDerWaalsContact O-CG1 3.28Å; A942-I946 WeakPolarHBondContact O-CG1 3.35Å; A942-I946 PolarHBondContact O-N 3.42Å; A942-F995 HydrophobicContact CB-CZ 4.41Å
943	L	98.9	Very high	98.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-38.8	174.8	-74.8	177.9	0	0	0	112.5	V864 Y868 L885 L905 I925 F939 C940 I946 R947	V864-L943 HydrophobicContact CG1-CD1 4.42Å; Y868-L943 HydrophobicContact CE2-CB 4.05Å; Y868-L943 VanDerWaalsContact CE2-O 3.29Å; Y868-L943 WeakPolarHBondContact CE2-O 3.5Å; Y868-L943 PolarHBondContact OH-O 2.86Å; L885-L943 HydrophobicContact CD1-CD1 3.87Å; L905-L943 HydrophobicContact CD1-CD2 4.37Å; L905-L943 HydrophobicContact CD2-CD2 4.29Å; I925-L943 HydrophobicContact CD1-CD1 4.04Å; F939-L943 HydrophobicContact CD1-CD1 3.96Å; F939-L943 HydrophobicContact CD1-CG 4.33Å; F939-L943 HydrophobicContact CE1-CD1 3.52Å; F939-L943 HydrophobicContact CE1-CG 4.01Å; F939-L943 HydrophobicContact CZ-CD1 4.31Å; F939-L943 HydrophobicContact CZ-CG 4.46Å; F939-L943 PolarHBondContact O-N 2.93Å; C940-L943 PolarHBondContact O-N 2.84Å; L943-I946 PolarHBondContact O-N 3.29Å; L943-R947 PolarHBondContact O-N 2.99Å
944	L	98.9	Very high	98.8	Very high	35 Å²	35	25.6 Å²	25.6	18%	0.183	13%	0.132	C	C	.	.	H	α-helix	trans	-68.5	-40	178.4	-68.8	170.6	0	0	0	111.8	H867 C940 D941 A942 R947 Q948	H867-L944 HydrophobicContact CB-CD2 3.73Å; H867-L944 WeakPolarHBondContact CD2-CD2 3.45Å; C940-L944 VanDerWaalsContact O-CG 3.24Å; C940-L944 WeakPolarHBondContact O-CG 3.48Å; C940-L944 PolarHBondContact O-N 3.48Å; D941-L944 PolarHBondContact O-N 3.18Å; A942-L944 VanDerWaalsContact C-N 3.35Å; A942-L944 PolarHBondContact O-N 3.4Å; L944-R947 WeakPolarHBondContact O-CB 3.24Å; L944-R947 PolarHBondContact O-N 3.46Å; L944-Q948 PolarHBondContact O-N 3.48Å; L944-Q948 VanDerWaalsContact O-N 3.16Å
945	A	98.8	Very high	98.8	Very high	21 Å²	21	29.5 Å²	29.5	17%	0.174	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-41.4	171.9	0	0	0	0	0	111.9	Y908 D941 A942 R947 Q948 E949 L993	Y908-A945 HydrophobicContact CE1-CB 3.72Å; Y908-A945 WeakPolarHBondContact OH-CB 3.32Å; D941-A945 WeakPolarHBondContact O-CB 3.27Å; D941-A945 PolarHBondContact O-N 2.99Å; A942-A945 PolarHBondContact O-N 3.2Å; A945-R947 VanDerWaalsContact C-N 3.27Å; A945-R947 PolarHBondContact O-N 3.18Å; A945-Q948 WeakPolarHBondContact O-CA 3.46Å; A945-Q948 WeakPolarHBondContact O-CB 3.49Å; A945-Q948 PolarHBondContact O-N 3.14Å; A945-E949 PolarHBondContact O-N 2.75Å; A945-L993 HydrophobicContact CB-CD1 4Å; A945-L993 HydrophobicContact CB-CD2 4.31Å; A945-L993 HydrophobicContact CB-CG 4.28Å
946	I	98.9	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-33.8	171.9	-72.5	169.7	0	0	0	111.6	L901 R904 L905 Y908 A942 L943 Q948 E949 I950 L965	L901-I946 HydrophobicContact CB-CG2 4.43Å; L901-I946 HydrophobicContact CD2-CG2 3.85Å; L901-I946 HydrophobicContact CG-CG2 3.78Å; R904-I946 HydrophobicContact CB-CD1 4.16Å; R904-I946 HydrophobicContact CG-CD1 3.93Å; R904-I946 HydrophobicContact CG-CG1 3.86Å; L905-I946 HydrophobicContact CD2-CD1 3.81Å; L905-I946 HydrophobicContact CG-CD1 3.86Å; Y908-I946 HydrophobicContact CD2-CD1 4.1Å; Y908-I946 HydrophobicContact CD2-CG1 4.33Å; Y908-I946 HydrophobicContact CE2-CD1 3.98Å; Y908-I946 HydrophobicContact CE2-CG1 3.7Å; A942-I946 WeakPolarHBondContact O-CB 3.15Å; A942-I946 VanDerWaalsContact O-CG1 3.28Å; A942-I946 WeakPolarHBondContact O-CG1 3.35Å; A942-I946 PolarHBondContact O-N 3.42Å; L943-I946 PolarHBondContact O-N 3.29Å; I946-Q948 VanDerWaalsContact C-N 3.29Å; I946-Q948 PolarHBondContact O-N 2.88Å; I946-E949 PolarHBondContact O-N 2.85Å; I946-I950 HydrophobicContact CG2-CD1 4.32Å; I946-I950 WeakPolarHBondContact O-CG1 3.36Å; I946-I950 PolarHBondContact O-N 3.34Å; I946-L965 HydrophobicContact CG2-CD2 4.08Å
947	R	98.8	Very high	98.7	Very high	48 Å²	48	38.1 Å²	38.1	18%	0.181	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-35	173.1	-179.9	63.7	-169.4	99	-13.4	111.7	H867 Y868 L943 L944 A945 I950 A951 E954	H867-R947 HydrophobicContact CB-CG 4.09Å; H867-R947 WeakPolarHBondContact O-CD 3.44Å; H867-R947 PolarHBondContact O-NE 3.4Å; Y868-R947 HydrophobicContact CE2-CB 3.85Å; Y868-R947 PolarHBondContact OH-N 3.26Å; L943-R947 PolarHBondContact O-N 2.99Å; L944-R947 WeakPolarHBondContact O-CB 3.24Å; L944-R947 PolarHBondContact O-N 3.46Å; A945-R947 VanDerWaalsContact C-N 3.27Å; A945-R947 PolarHBondContact O-N 3.18Å; R947-I950 PolarHBondContact O-N 3.14Å; R947-A951 PolarHBondContact O-N 3.17Å; R947-E954 IonicContact CZ-OE2 3.79Å; R947-E954 IonicContact NH1-OE2 3.06Å; R947-E954 PolarHBondContact NH1-OE2 3.45Å; R947-E954 IonicContact NH2-OE1 2.71Å; R947-E954 IonicContact NH2-OE2 2.81Å; R947-E954 PolarHBondContact NH2-OE2 3.38Å
948	Q	98.7	Very high	98.6	Very high	93 Å²	93	38.3 Å²	38.3	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-41.9	174.4	-171.3	59.4	47	0	0	111.6	L944 A945 I946 I950 A951 D952	L944-Q948 PolarHBondContact O-N 3.48Å; L944-Q948 VanDerWaalsContact O-N 3.16Å; A945-Q948 WeakPolarHBondContact O-CA 3.46Å; A945-Q948 WeakPolarHBondContact O-CB 3.49Å; A945-Q948 PolarHBondContact O-N 3.14Å; I946-Q948 VanDerWaalsContact C-N 3.29Å; I946-Q948 PolarHBondContact O-N 2.88Å; Q948-I950 PolarHBondContact O-N 3.24Å; Q948-A951 WeakPolarHBondContact O-CB 3.48Å; Q948-A951 PolarHBondContact O-N 3.45Å; Q948-D952 PolarHBondContact NE2-OD1 2.93Å; Q948-D952 VanDerWaalsContact O-CG 3.27Å; Q948-D952 PolarHBondContact O-N 3.25Å
949	E	98.8	Very high	98.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-56	-38.3	171.4	-73.2	178.7	-155.9	0	0	111.8	R904 Y908 A945 I946 I953 L965 Y988	R904-E949 IonicContact CZ-OE1 3.24Å; R904-E949 VanDerWaalsContact CZ-OE1 3.28Å; R904-E949 IonicContact CZ-OE2 2.82Å; R904-E949 VanDerWaalsContact NE-CD 3.33Å; R904-E949 IonicContact NE-OE1 3.18Å; R904-E949 PolarHBondContact NE-OE1 3.12Å; R904-E949 IonicContact NE-OE2 3.99Å; R904-E949 PolarHBondContact NE-OE2 2.92Å; R904-E949 IonicContact NH2-OE1 2.93Å; R904-E949 PolarHBondContact NH2-OE1 2.97Å; R904-E949 IonicContact NH2-OE2 3.58Å; Y908-E949 PolarHBondContact OH-OE1 2.82Å; A945-E949 PolarHBondContact O-N 2.75Å; I946-E949 PolarHBondContact O-N 2.85Å; E949-I953 WeakPolarHBondContact O-CD1 3.16Å; E949-I953 WeakPolarHBondContact O-CG1 3.42Å; E949-I953 PolarHBondContact O-N 3.24Å; E949-L965 HydrophobicContact CB-CD1 3.72Å; E949-L965 HydrophobicContact CB-CG 4.39Å; E949-Y988 HydrophobicContact CG-CE1 4.39Å; E949-Y988 VanDerWaalsContact CG-OH 3.27Å; E949-Y988 WeakPolarHBondContact CG-OH 3.39Å
950	I	98.8	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-47	172.4	-64.6	167.1	0	0	0	110.8	F890 A894 I896 L901 I946 R947 Q948 D952 I953 E954 L965	F890-I950 HydrophobicContact CB-CG2 4.22Å; F890-I950 HydrophobicContact CD1-CG2 3.65Å; F890-I950 HydrophobicContact CD2-CD1 3.86Å; F890-I950 HydrophobicContact CE1-CG2 4.2Å; F890-I950 HydrophobicContact CE2-CD1 4.1Å; F890-I950 HydrophobicContact CG-CD1 4.1Å; F890-I950 HydrophobicContact CG-CG2 3.97Å; A894-I950 HydrophobicContact CB-CG2 3.99Å; I896-I950 HydrophobicContact CG1-CG1 4.48Å; I896-I950 HydrophobicContact CG2-CD1 4.2Å; I896-I950 HydrophobicContact CG2-CG1 4.19Å; L901-I950 HydrophobicContact CD1-CD1 4.23Å; L901-I950 HydrophobicContact CD2-CD1 4.14Å; L901-I950 HydrophobicContact CG-CD1 4.32Å; I946-I950 HydrophobicContact CG2-CD1 4.32Å; I946-I950 WeakPolarHBondContact O-CG1 3.36Å; I946-I950 PolarHBondContact O-N 3.34Å; R947-I950 PolarHBondContact O-N 3.14Å; Q948-I950 PolarHBondContact O-N 3.24Å; I950-D952 VanDerWaalsContact C-N 3.3Å; I950-D952 PolarHBondContact O-N 3.48Å; I950-I953 WeakPolarHBondContact O-CB 3.49Å; I950-I953 PolarHBondContact O-N 2.79Å; I950-E954 HydrophobicContact CG2-CG 4.13Å; I950-E954 WeakPolarHBondContact O-CG 3.46Å; I950-E954 PolarHBondContact O-N 2.78Å; I950-L965 HydrophobicContact CG1-CD1 3.56Å
951	A	98.6	Very high	98.3	Very high	11 Å²	11	48.2 Å²	48.2	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-38.1	-179.5	0	0	0	0	0	112.4	R947 Q948 I953 E954 E955	R947-A951 PolarHBondContact O-N 3.17Å; Q948-A951 WeakPolarHBondContact O-CB 3.48Å; Q948-A951 PolarHBondContact O-N 3.45Å; A951-I953 PolarHBondContact O-N 3.26Å; A951-E954 PolarHBondContact O-N 3.18Å; A951-E955 WeakPolarHBondContact O-CB 3.49Å; A951-E955 WeakPolarHBondContact O-CG 3.46Å; A951-E955 PolarHBondContact O-N 3.03Å
952	D	98.6	Very high	98.2	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-25.4	176.3	-64.8	-22.3	0	0	0	112.6	Q948 I950 G956 R957 M958	Q948-D952 PolarHBondContact NE2-OD1 2.93Å; Q948-D952 VanDerWaalsContact O-CG 3.27Å; Q948-D952 PolarHBondContact O-N 3.25Å; I950-D952 VanDerWaalsContact C-N 3.3Å; I950-D952 PolarHBondContact O-N 3.48Å; D952-G956 PolarHBondContact O-N 2.86Å; D952-R957 HydrophobicContact CB-CB 4.15Å; D952-R957 CarbonylContact O-C 3.56Å; D952-R957 WeakPolarHBondContact O-CA 3.46Å; D952-R957 WeakPolarHBondContact O-CB 3.27Å; D952-R957 PolarHBondContact O-N 2.82Å; D952-R957 IonicContact OD1-CZ 2.76Å; D952-R957 IonicContact OD1-NE 2.73Å; D952-R957 PolarHBondContact OD1-NE 2.97Å; D952-R957 IonicContact OD1-NH2 2.72Å; D952-R957 PolarHBondContact OD1-NH2 3.34Å; D952-M958 HydrophobicContact CB-CB 4.29Å; D952-M958 HydrophobicContact CB-CE 3.95Å; D952-M958 PolarHBondContact O-N 3.4Å
953	I	98.7	Very high	98.2	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-81.6	-42.7	170.1	-59.5	162.1	0	0	0	110.8	A894 I896 E949 I950 A951 E955 G956 M958 N963 L965	A894-I953 HydrophobicContact CB-CB 4.15Å; A894-I953 HydrophobicContact CB-CG2 3.86Å; I896-I953 HydrophobicContact CD1-CD1 3.99Å; I896-I953 HydrophobicContact CG1-CD1 4.2Å; E949-I953 WeakPolarHBondContact O-CD1 3.16Å; E949-I953 WeakPolarHBondContact O-CG1 3.42Å; E949-I953 PolarHBondContact O-N 3.24Å; I950-I953 WeakPolarHBondContact O-CB 3.49Å; I950-I953 PolarHBondContact O-N 2.79Å; A951-I953 PolarHBondContact O-N 3.26Å; I953-E955 VanDerWaalsContact C-N 3.25Å; I953-E955 PolarHBondContact O-N 3.28Å; I953-G956 PolarHBondContact O-N 3.04Å; I953-M958 HydrophobicContact CG1-CB 4.16Å; I953-N963 HydrophobicContact CD1-CB 4.03Å; I953-N963 VanDerWaalsContact CD1-CG 3.49Å; I953-N963 HydrophobicContact CG1-CB 4.37Å; I953-L965 HydrophobicContact CD1-CD1 4.25Å
954	E	98.5	Very high	98.2	Very high	61 Å²	61	48.2 Å²	48.2	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-35.3	177.1	-66.9	177.7	131.4	0	0	112.4	T893 A894 R947 I950 A951	T893-E954 WeakPolarHBondContact CB-OE1 3.33Å; T893-E954 PolarHBondContact OG1-OE1 2.82Å; A894-E954 HydrophobicContact CB-CG 3.9Å; R947-E954 IonicContact CZ-OE2 3.79Å; R947-E954 IonicContact NH1-OE2 3.06Å; R947-E954 PolarHBondContact NH1-OE2 3.45Å; R947-E954 IonicContact NH2-OE1 2.71Å; R947-E954 IonicContact NH2-OE2 2.81Å; R947-E954 PolarHBondContact NH2-OE2 3.38Å; I950-E954 HydrophobicContact CG2-CG 4.13Å; I950-E954 WeakPolarHBondContact O-CG 3.46Å; I950-E954 PolarHBondContact O-N 2.78Å; A951-E954 PolarHBondContact O-N 3.18Å
955	E	98.3	Very high	98.2	Very high	125 Å²	125	46.5 Å²	46.5	58%	0.584	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	4.7	-179.2	-63.5	177.4	-103.4	0	0	113.5	A951 I953 R957	A951-E955 WeakPolarHBondContact O-CB 3.49Å; A951-E955 WeakPolarHBondContact O-CG 3.46Å; A951-E955 PolarHBondContact O-N 3.03Å; I953-E955 VanDerWaalsContact C-N 3.25Å; I953-E955 PolarHBondContact O-N 3.28Å; E955-R957 VanDerWaalsContact C-N 3.32Å; E955-R957 VanDerWaalsContact CD-NH2 3.29Å; E955-R957 PolarHBondContact O-N 3.44Å; E955-R957 IonicContact OE1-CZ 3.65Å; E955-R957 IonicContact OE1-NH1 3.32Å; E955-R957 PolarHBondContact OE1-NH1 3.08Å; E955-R957 IonicContact OE1-NH2 3.7Å; E955-R957 PolarHBondContact OE1-NH2 3.18Å; E955-R957 IonicContact OE2-CZ 3.42Å; E955-R957 IonicContact OE2-NH1 3.67Å; E955-R957 PolarHBondContact OE2-NH1 2.97Å; E955-R957 IonicContact OE2-NH2 3.31Å
956	G	97.4	Very high	98.2	Very high	64 Å²	64	47.4 Å²	47.4	66%	0.66	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	17.2	174.7	0	0	0	0	0	115.9	D952 I953 M958	D952-G956 PolarHBondContact O-N 2.86Å; I953-G956 PolarHBondContact O-N 3.04Å; G956-M958 VanDerWaalsContact C-N 3.29Å
957	R	98	Very high	98.1	Very high	134 Å²	134	50.4 Å²	50.4	51%	0.506	25%	0.252	S	S	.	.	S	Bend	trans	-73.9	-17.9	171.3	-69.9	-172	-72.7	-84.3	-2.4	113.1	D952 E955	D952-R957 HydrophobicContact CB-CB 4.15Å; D952-R957 CarbonylContact O-C 3.56Å; D952-R957 WeakPolarHBondContact O-CA 3.46Å; D952-R957 WeakPolarHBondContact O-CB 3.27Å; D952-R957 PolarHBondContact O-N 2.82Å; D952-R957 IonicContact OD1-CZ 2.76Å; D952-R957 IonicContact OD1-NE 2.73Å; D952-R957 PolarHBondContact OD1-NE 2.97Å; D952-R957 IonicContact OD1-NH2 2.72Å; D952-R957 PolarHBondContact OD1-NH2 3.34Å; E955-R957 VanDerWaalsContact C-N 3.32Å; E955-R957 VanDerWaalsContact CD-NH2 3.29Å; E955-R957 PolarHBondContact O-N 3.44Å; E955-R957 IonicContact OE1-CZ 3.65Å; E955-R957 IonicContact OE1-NH1 3.32Å; E955-R957 PolarHBondContact OE1-NH1 3.08Å; E955-R957 IonicContact OE1-NH2 3.7Å; E955-R957 PolarHBondContact OE1-NH2 3.18Å; E955-R957 IonicContact OE2-CZ 3.42Å; E955-R957 IonicContact OE2-NH1 3.67Å; E955-R957 PolarHBondContact OE2-NH1 2.97Å; E955-R957 IonicContact OE2-NH2 3.31Å
958	M	96.8	Very high	98.1	Very high	31 Å²	31	48.1 Å²	48.1	15%	0.153	24%	0.243	C	C	.	.	S	Bend	trans	-135.1	143.8	-176.2	-154.3	179.3	-64.4	0	0	111.4	D952 I953 G956 S960 N963 P964 Y988	D952-M958 HydrophobicContact CB-CB 4.29Å; D952-M958 HydrophobicContact CB-CE 3.95Å; D952-M958 PolarHBondContact O-N 3.4Å; I953-M958 HydrophobicContact CG1-CB 4.16Å; G956-M958 VanDerWaalsContact C-N 3.29Å; M958-S960 PolarHBondContact O-N 2.87Å; M958-N963 HydrophobicContact CG-CB 3.92Å; M958-N963 HydrophobicContact SD-CB 3.52Å; M958-N963 VanDerWaalsContact SD-CB 3.52Å; M958-P964 WeakPolarHBondContact SD-CD 3.33Å; M958-P964 HydrophobicContact SD-CG 4.39Å; M958-Y988 HydrophobicContact CE-CE1 4.19Å
959	D	97.2	Very high	98.1	Very high	62 Å²	62	43.8 Å²	43.8	33%	0.332	22%	0.223	S	C	.	.			trans	-62.3	130.5	179.2	179.3	-72.2	0	0	0	110.6	R961 I962 N963	D959-R961 PolarHBondContact O-N 3.44Å; D959-R961 VanDerWaalsContact O-N 3.11Å; D959-R961 WeakPolarHBondContact OD1-CA 3.38Å; D959-R961 WeakPolarHBondContact OD1-CB 3.44Å; D959-R961 PolarHBondContact OD1-N 3.4Å; D959-R961 IonicContact OD1-NE 2.72Å; D959-R961 IonicContact OD2-NH2 3.37Å; D959-I962 PolarHBondContact OD1-N 3.23Å; D959-N963 WeakPolarHBondContact O-CB 3.3Å; D959-N963 PolarHBondContact O-ND2 2.96Å
960	S	96.1	Very high	98.1	Very high	62 Å²	62	43.8 Å²	43.8	43%	0.434	22%	0.223	S	C	.	.	S	Bend	trans	-71.1	-4.3	-173.3	59.3	0	0	0	0	115.2	M958 N963	M958-S960 PolarHBondContact O-N 2.87Å; S960-N963 VanDerWaalsContact C-ND2 3.31Å; S960-N963 PolarHBondContact O-ND2 2.75Å
961	R	97.1	Very high	98.1	Very high	166 Å²	166	44.1 Å²	44.1	63%	0.626	23%	0.225	S	C	*	.	S	Bend	trans	-118.9	-39.3	178.7	-52.8	170.5	-62.9	160.7	6	112.1	D959 K966 M967	D959-R961 PolarHBondContact O-N 3.44Å; D959-R961 VanDerWaalsContact O-N 3.11Å; D959-R961 WeakPolarHBondContact OD1-CA 3.38Å; D959-R961 WeakPolarHBondContact OD1-CB 3.44Å; D959-R961 PolarHBondContact OD1-N 3.4Å; D959-R961 IonicContact OD1-NE 2.72Å; D959-R961 IonicContact OD2-NH2 3.37Å; R961-K966 VanDerWaalsContact O-CB 3.23Å; R961-K966 WeakPolarHBondContact O-CB 3.46Å; R961-M967 WeakPolarHBondContact O-CE 3.5Å
962	I	97.8	Very high	98	Very high	62 Å²	62	47.8 Å²	47.8	32%	0.318	24%	0.243	S	C	.	.	S	Bend	trans	-111.1	67	-175.8	-43.1	-178	0	0	0	110.1	D959 P983	D959-I962 PolarHBondContact OD1-N 3.23Å; I962-P983 HydrophobicContact CG2-CG 4.46Å; I962-P983 WeakPolarHBondContact O-CD 3.04Å; I962-P983 WeakPolarHBondContact O-CG 3.34Å
963	N	98.6	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-125.4	163.9	176.6	54.5	70	0	0	0	110.2	I953 M958 D959 S960 L965 K966 M967	I953-N963 HydrophobicContact CD1-CB 4.03Å; I953-N963 VanDerWaalsContact CD1-CG 3.49Å; I953-N963 HydrophobicContact CG1-CB 4.37Å; M958-N963 HydrophobicContact CG-CB 3.92Å; M958-N963 HydrophobicContact SD-CB 3.52Å; M958-N963 VanDerWaalsContact SD-CB 3.52Å; D959-N963 WeakPolarHBondContact O-CB 3.3Å; D959-N963 PolarHBondContact O-ND2 2.96Å; S960-N963 VanDerWaalsContact C-ND2 3.31Å; S960-N963 PolarHBondContact O-ND2 2.75Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.69Å; N963-L965 WeakPolarHBondContact OD1-CB 3.31Å; N963-L965 PolarHBondContact OD1-N 3.48Å; N963-K966 PolarHBondContact O-N 3.05Å; N963-K966 WeakPolarHBondContact OD1-CB 3.45Å; N963-K966 WeakPolarHBondContact OD1-CG 3.07Å; N963-K966 PolarHBondContact OD1-N 3.25Å; N963-M967 VanDerWaalsContact O-CB 3.3Å; N963-M967 WeakPolarHBondContact O-CB 3.5Å; N963-M967 WeakPolarHBondContact O-CG 3.24Å; N963-M967 PolarHBondContact O-N 3.06Å; N963-M967 VanDerWaalsContact O-N 3.08Å
964	P	98.6	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-38.9	-178.2	-24	33.4	0	0	0	113.2	R904 M958 K966 M967 A968 Y984 Y988	R904-P964 VanDerWaalsContact CZ-CB 3.42Å; M958-P964 WeakPolarHBondContact SD-CD 3.33Å; M958-P964 HydrophobicContact SD-CG 4.39Å; P964-K966 PolarHBondContact O-N 3.43Å; P964-M967 PolarHBondContact O-N 3.24Å; P964-A968 WeakPolarHBondContact O-CB 3.35Å; P964-A968 PolarHBondContact O-N 2.76Å; P964-Y984 HydrophobicContact CB-CE2 4.33Å; P964-Y984 HydrophobicContact CG-CD1 4.09Å; P964-Y984 HydrophobicContact CG-CD2 3.81Å; P964-Y984 HydrophobicContact CG-CE1 4.23Å; P964-Y984 HydrophobicContact CG-CE2 3.92Å; P964-Y984 HydrophobicContact CG-CG 3.89Å; P964-Y988 HydrophobicContact CG-CD1 3.89Å; P964-Y988 HydrophobicContact CG-CE1 3.84Å
965	L	98.7	Very high	97.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-44.2	177.8	-88.9	158.6	0	0	0	114.1	I896 D900 L901 R904 I946 E949 I950 I953 N963 M967 R1008	I896-L965 HydrophobicContact CD1-CB 3.75Å; I896-L965 HydrophobicContact CD1-CD1 4.07Å; I896-L965 HydrophobicContact CD1-CG 4.41Å; I896-L965 HydrophobicContact CG1-CD1 4.4Å; D900-L965 HydrophobicContact CB-CB 4.36Å; D900-L965 HydrophobicContact CB-CD2 4.01Å; L901-L965 HydrophobicContact CG-CD2 4.25Å; R904-L965 HydrophobicContact CB-CD2 3.78Å; R904-L965 HydrophobicContact CB-CG 4.43Å; R904-L965 HydrophobicContact CG-CD2 4.07Å; R904-L965 HydrophobicContact CG-CG 4.28Å; I946-L965 HydrophobicContact CG2-CD2 4.08Å; E949-L965 HydrophobicContact CB-CD1 3.72Å; E949-L965 HydrophobicContact CB-CG 4.39Å; I950-L965 HydrophobicContact CG1-CD1 3.56Å; I953-L965 HydrophobicContact CD1-CD1 4.25Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.69Å; N963-L965 WeakPolarHBondContact OD1-CB 3.31Å; N963-L965 PolarHBondContact OD1-N 3.48Å; L965-M967 VanDerWaalsContact C-N 3.34Å; L965-R1008 PolarHBondContact O-NH2 3.38Å
966	K	98.4	Very high	97.6	Very high	40 Å²	40	45.3 Å²	45.3	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-74.8	-25.4	177	-72.1	-51.2	-169.5	-171.1	0	113.4	N895 I896 D900 R961 N963 P964 R1008	N895-K966 VanDerWaalsContact O-CE 3.3Å; N895-K966 WeakPolarHBondContact O-CE 3.33Å; N895-K966 PolarHBondContact O-NZ 3.33Å; I896-K966 HydrophobicContact CD1-CD 4.24Å; I896-K966 HydrophobicContact CD1-CG 4.43Å; D900-K966 WeakPolarHBondContact OD1-CD 3.44Å; D900-K966 IonicContact OD1-NZ 2.73Å; D900-K966 IonicContact OD2-NZ 3.63Å; D900-K966 PolarHBondContact OD2-NZ 2.84Å; R961-K966 VanDerWaalsContact O-CB 3.23Å; R961-K966 WeakPolarHBondContact O-CB 3.46Å; N963-K966 PolarHBondContact O-N 3.05Å; N963-K966 WeakPolarHBondContact OD1-CB 3.45Å; N963-K966 WeakPolarHBondContact OD1-CG 3.07Å; N963-K966 PolarHBondContact OD1-N 3.25Å; P964-K966 PolarHBondContact O-N 3.43Å; K966-R1008 PolarHBondContact O-NH2 2.95Å
967	M	98.4	Very high	97.5	Very high	63 Å²	63	44.1 Å²	44.1	31%	0.31	23%	0.231	S	C	.	.	H	α-helix	trans	-98.6	-16.1	-173.3	-65.9	-68.5	134.2	0	0	113.9	R961 N963 P964 L965 R982 Y984	R961-M967 WeakPolarHBondContact O-CE 3.5Å; N963-M967 VanDerWaalsContact O-CB 3.3Å; N963-M967 WeakPolarHBondContact O-CB 3.5Å; N963-M967 WeakPolarHBondContact O-CG 3.24Å; N963-M967 PolarHBondContact O-N 3.06Å; N963-M967 VanDerWaalsContact O-N 3.08Å; P964-M967 PolarHBondContact O-N 3.24Å; L965-M967 VanDerWaalsContact C-N 3.34Å; M967-R982 VanDerWaalsContact CB-NH1 3.34Å; M967-R982 PolarHBondContact SD-NH1 2.59Å; M967-Y984 WeakPolarHBondContact CB-OH 3.15Å; M967-Y984 WeakPolarHBondContact CG-OH 3.45Å
968	A	98.4	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	C	.	.			trans	-63.2	150.4	176.8	0	0	0	0	0	112.5	K903 R904 D907 P964 R1008	K903-A968 HydrophobicContact CB-CB 4.09Å; K903-A968 WeakPolarHBondContact CB-O 3.39Å; R904-A968 HydrophobicContact CB-CB 4.03Å; D907-A968 WeakPolarHBondContact OD2-CB 3.37Å; P964-A968 WeakPolarHBondContact O-CB 3.35Å; P964-A968 PolarHBondContact O-N 2.76Å; A968-R1008 VanDerWaalsContact O-CZ 3.27Å; A968-R1008 PolarHBondContact O-NE 2.78Å; A968-R1008 PolarHBondContact O-NH2 2.95Å
969	P	98.6	Very high	97.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.013	27%	0.273	C	S	.	.	S	Bend	cis	-80.5	148.2	-0.5	33.9	-35.2	0	0	0	112.7	E187 Q906 S971 P1004	E187-P969 HydrophobicContact CB-CG 3.75Å; E187-P969 HydrophobicContact CG-CG 3.7Å; Q906-P969 HydrophobicContact CB-CB 4.21Å; Q906-P969 VanDerWaalsContact OE1-CB 3.27Å; P969-S971 PolarHBondContact O-N 2.69Å; P969-P1004 HydrophobicContact CB-CB 3.59Å; P969-P1004 HydrophobicContact CB-CG 3.71Å; P969-P1004 HydrophobicContact CG-CB 4.06Å
970	H	98.6	Very high	97.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.266	C	S	.	.			trans	-89.6	93	178.7	-63.7	86.8	0	0	0	110.1	D907 I975 Y984 A989	D907-H970 PolarHBondContact OD1-N 3.01Å; D907-H970 IonicContact OD1-ND1 2.81Å; D907-H970 IonicContact OD2-CE1 3.76Å; D907-H970 IonicContact OD2-CG 2.64Å; D907-H970 IonicContact OD2-ND1 3.63Å; D907-H970 PolarHBondContact OD2-ND1 3.48Å; H970-I975 HydrophobicContact CB-CD1 3.97Å; H970-I975 HydrophobicContact CB-CG1 4.22Å; H970-Y984 AromaticContact NE2-CE2 3.51Å; H970-Y984 AromaticContact NE2-CZ 3.6Å; H970-Y984 PolarHBondContact NE2-OH 2.79Å; H970-A989 HydrophobicContact CB-CB 4.37Å
971	S	98.1	Very high	97.2	Very high	7 Å²	7	51.6 Å²	51.6	5%	0.049	28%	0.283	C	S	.	.			trans	-62.3	156.2	178.7	70	0	0	0	0	112.7	P969 A973 C974 I975 P1004	P969-S971 PolarHBondContact O-N 2.69Å; S971-A973 PolarHBondContact O-N 3.4Å; S971-C974 WeakPolarHBondContact O-CA 3.27Å; S971-C974 WeakPolarHBondContact O-CB 3.39Å; S971-C974 PolarHBondContact O-N 3.05Å; S971-C974 PolarHBondContact OG-N 3.29Å; S971-I975 PolarHBondContact O-N 3.43Å; S971-I975 VanDerWaalsContact O-N 3.09Å; S971-P1004 VanDerWaalsContact CA-O 3.29Å; S971-P1004 WeakPolarHBondContact CA-O 3.27Å; S971-P1004 WeakPolarHBondContact CB-O 3.46Å
972	L	97.8	Very high	97.2	Very high	88 Å²	88	46.7 Å²	46.7	46%	0.461	26%	0.264	S	S	.	.	H	α-helix	trans	-53.8	-41.9	178.2	177.3	58.8	0	0	0	111.8	C974 I975 S976 W1003	L972-C974 VanDerWaalsContact C-N 3.34Å; L972-C974 PolarHBondContact O-N 3.46Å; L972-I975 PolarHBondContact O-N 2.76Å; L972-I975 VanDerWaalsContact O-N 3.14Å; L972-S976 WeakPolarHBondContact O-CB 3.16Å; L972-S976 PolarHBondContact O-N 2.88Å; L972-S976 PolarHBondContact O-OG 2.95Å; L972-S976 VanDerWaalsContact O-OG 3.13Å; L972-W1003 HydrophobicContact CB-CD2 3.91Å; L972-W1003 HydrophobicContact CB-CE3 3.79Å; L972-W1003 HydrophobicContact CB-CG 4.26Å; L972-W1003 HydrophobicContact CB-CZ3 4.32Å; L972-W1003 HydrophobicContact CD1-CD2 4.08Å; L972-W1003 HydrophobicContact CD1-CE3 4.28Å; L972-W1003 HydrophobicContact CD1-CH2 4.05Å; L972-W1003 HydrophobicContact CD1-CZ2 3.83Å; L972-W1003 HydrophobicContact CD1-CZ3 4.27Å; L972-W1003 HydrophobicContact CG-CD2 4.48Å
973	A	95.1	Very high	97.2	Very high	42 Å²	42	47.9 Å²	47.9	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-36.1	176.7	0	0	0	0	0	113	S971 I975 S977	S971-A973 PolarHBondContact O-N 3.4Å; A973-I975 VanDerWaalsContact C-N 3.34Å; A973-S977 WeakPolarHBondContact O-CB 3.26Å; A973-S977 PolarHBondContact O-N 2.95Å; A973-S977 VanDerWaalsContact O-N 3.13Å
974	C	95.8	Very high	97.2	Very high	28 Å²	28	48.9 Å²	48.9	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-35.9	173.9	-173.8	0	0	0	0	112	S971 L972 W980 R982	S971-C974 WeakPolarHBondContact O-CA 3.27Å; S971-C974 WeakPolarHBondContact O-CB 3.39Å; S971-C974 PolarHBondContact O-N 3.05Å; S971-C974 PolarHBondContact OG-N 3.29Å; L972-C974 VanDerWaalsContact C-N 3.34Å; L972-C974 PolarHBondContact O-N 3.46Å; C974-W980 WeakPolarHBondContact O-CZ3 3.03Å; C974-R982 PolarHBondContact SG-NH2 3.2Å
975	I	97.4	Very high	97.2	Very high	20 Å²	20	51.4 Å²	51.4	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-81.2	-33.2	-179.9	-61.8	-62.2	0	0	0	112.4	H970 S971 L972 A973 W980 R986 A989 A990 W1003	H970-I975 HydrophobicContact CB-CD1 3.97Å; H970-I975 HydrophobicContact CB-CG1 4.22Å; S971-I975 PolarHBondContact O-N 3.43Å; S971-I975 VanDerWaalsContact O-N 3.09Å; L972-I975 PolarHBondContact O-N 2.76Å; L972-I975 VanDerWaalsContact O-N 3.14Å; A973-I975 VanDerWaalsContact C-N 3.34Å; I975-W980 HydrophobicContact CD1-CH2 3.71Å; I975-W980 HydrophobicContact CD1-CZ3 3.77Å; I975-R986 HydrophobicContact CG2-CB 4.46Å; I975-R986 PolarHBondContact O-NH1 3.39Å; I975-A989 HydrophobicContact CD1-CB 3.69Å; I975-A990 HydrophobicContact CD1-CB 3.98Å; I975-A990 HydrophobicContact CG1-CB 4.02Å; I975-A990 HydrophobicContact CG2-CB 4.43Å; I975-W1003 HydrophobicContact CB-CH2 4.09Å; I975-W1003 HydrophobicContact CB-CZ3 4.12Å; I975-W1003 HydrophobicContact CG1-CH2 4.08Å; I975-W1003 HydrophobicContact CG1-CZ3 3.78Å; I975-W1003 HydrophobicContact CG2-CH2 4.03Å
976	S	96.7	Very high	97.1	Very high	80 Å²	80	54.7 Å²	54.7	56%	0.559	31%	0.31	S	S	*	.	H	α-helix	trans	-85.3	-11.6	179.9	70.3	0	0	0	0	114.2	L972	L972-S976 WeakPolarHBondContact O-CB 3.16Å; L972-S976 PolarHBondContact O-N 2.88Å; L972-S976 PolarHBondContact O-OG 2.95Å; L972-S976 VanDerWaalsContact O-OG 3.13Å
977	S	95.9	Very high	97.1	Very high	39 Å²	39	58.3 Å²	58.3	27%	0.273	33%	0.328	S	S	.	.			trans	-52	138	177.3	169.6	0	0	0	0	112.7	A973 N979 R986	A973-S977 WeakPolarHBondContact O-CB 3.26Å; A973-S977 PolarHBondContact O-N 2.95Å; A973-S977 VanDerWaalsContact O-N 3.13Å; S977-N979 VanDerWaalsContact C-N 3.25Å; S977-N979 WeakPolarHBondContact CB-O 3.29Å; S977-N979 PolarHBondContact O-N 3.45Å; S977-N979 PolarHBondContact OG-N 3.29Å; S977-N979 VanDerWaalsContact OG-N 3.08Å; S977-N979 PolarHBondContact OG-O 2.89Å; S977-R986 PolarHBondContact O-NH1 2.97Å; S977-R986 PolarHBondContact O-NH2 2.88Å
978	S	95.8	Very high	97.1	Very high	128 Å²	128	58.8 Å²	58.8	90%	0.895	33%	0.326	S	S	*	.	S	Bend	trans	-64.1	-33	171	-52.8	0	0	0	0	111.9
979	N	94.4	Very high	97.1	Very high	120 Å²	120	58.8 Å²	58.8	64%	0.642	33%	0.326	S	S	*	.			trans	-87.2	134	174.9	-173	16.9	0	0	0	111.3	S977	S977-N979 VanDerWaalsContact C-N 3.25Å; S977-N979 WeakPolarHBondContact CB-O 3.29Å; S977-N979 PolarHBondContact O-N 3.45Å; S977-N979 PolarHBondContact OG-N 3.29Å; S977-N979 VanDerWaalsContact OG-N 3.08Å; S977-N979 PolarHBondContact OG-O 2.89Å
980	W	96.8	Very high	97.1	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.197	33%	0.326	C	S	.	.			trans	-147.1	85.2	175.7	-176.7	-91.8	0	0	0	110.3	C974 I975 R982 Y984 R986 A989	C974-W980 WeakPolarHBondContact O-CZ3 3.03Å; I975-W980 HydrophobicContact CD1-CH2 3.71Å; I975-W980 HydrophobicContact CD1-CZ3 3.77Å; W980-R982 HydrophobicContact CD2-CB 4.49Å; W980-R982 HydrophobicContact CD2-CG 4.47Å; W980-R982 VanDerWaalsContact CH2-CD 3.44Å; W980-R982 HydrophobicContact CZ2-CB 4.18Å; W980-R982 VanDerWaalsContact CZ2-CD 3.46Å; W980-R982 HydrophobicContact CZ2-CG 4.4Å; W980-R982 PolarHBondContact O-N 3.46Å; W980-Y984 HydrophobicContact CH2-CE2 4.32Å; W980-Y984 HydrophobicContact CZ2-CD2 4.15Å; W980-Y984 AromaticContact CZ2-CE2 3.97Å; W980-Y984 HydrophobicContact CZ2-CE2 3.97Å; W980-Y984 PolarHBondContact NE1-O 2.91Å; W980-R986 HydrophobicContact CD2-CG 3.62Å; W980-R986 HydrophobicContact CE3-CG 3.85Å; W980-R986 HydrophobicContact CG-CG 4.13Å; W980-R986 HydrophobicContact CH2-CG 4.15Å; W980-R986 HydrophobicContact CZ2-CB 4.46Å; W980-R986 HydrophobicContact CZ2-CG 3.93Å; W980-R986 HydrophobicContact CZ3-CG 4.12Å; W980-A989 HydrophobicContact CH2-CB 3.64Å; W980-A989 HydrophobicContact CZ2-CB 4.01Å
981	D	94.8	Very high	97	Very high	145 Å²	145	61.7 Å²	61.7	78%	0.775	34%	0.339	S	S	*	.			trans	-99.1	75.8	176.8	-172.7	24	0	0	0	110
982	R	97.3	Very high	97	Very high	63 Å²	63	62.2 Å²	62.2	24%	0.238	34%	0.342	C	S	.	.			trans	-143.7	137.2	-176.9	-64.1	174.7	177.8	-71.5	2.3	109.6	M967 C974 W980 Y984	M967-R982 VanDerWaalsContact CB-NH1 3.34Å; M967-R982 PolarHBondContact SD-NH1 2.59Å; C974-R982 PolarHBondContact SG-NH2 3.2Å; W980-R982 HydrophobicContact CD2-CB 4.49Å; W980-R982 HydrophobicContact CD2-CG 4.47Å; W980-R982 VanDerWaalsContact CH2-CD 3.44Å; W980-R982 HydrophobicContact CZ2-CB 4.18Å; W980-R982 VanDerWaalsContact CZ2-CD 3.46Å; W980-R982 HydrophobicContact CZ2-CG 4.4Å; W980-R982 PolarHBondContact O-N 3.46Å; R982-Y984 HydrophobicContact CB-CD1 4.25Å; R982-Y984 HydrophobicContact CB-CE1 3.96Å; R982-Y984 HydrophobicContact CG-CE1 4.47Å; R982-Y984 PolarHBondContact NH1-OH 3.5Å; R982-Y984 VanDerWaalsContact NH1-OH 3.08Å; R982-Y984 PolarHBondContact O-N 3.09Å
983	P	97	Very high	97.1	Very high	88 Å²	88	60.1 Å²	60.1	57%	0.571	33%	0.331	S	S	*	.	S	Bend	trans	-78.8	27.7	-176.3	34.7	-37	0	0	0	113.6	I962	I962-P983 HydrophobicContact CG2-CG 4.46Å; I962-P983 WeakPolarHBondContact O-CD 3.04Å; I962-P983 WeakPolarHBondContact O-CG 3.34Å
984	Y	98.1	Very high	97.2	Very high	21 Å²	21	63.4 Å²	63.4	8%	0.082	35%	0.349	C	S	.	.	S	Bend	trans	-151.8	156.9	179.1	56.8	-90.2	0	0	0	109.5	P964 M967 H970 W980 R982 A989	P964-Y984 HydrophobicContact CB-CE2 4.33Å; P964-Y984 HydrophobicContact CG-CD1 4.09Å; P964-Y984 HydrophobicContact CG-CD2 3.81Å; P964-Y984 HydrophobicContact CG-CE1 4.23Å; P964-Y984 HydrophobicContact CG-CE2 3.92Å; P964-Y984 HydrophobicContact CG-CG 3.89Å; M967-Y984 WeakPolarHBondContact CB-OH 3.15Å; M967-Y984 WeakPolarHBondContact CG-OH 3.45Å; H970-Y984 AromaticContact NE2-CE2 3.51Å; H970-Y984 AromaticContact NE2-CZ 3.6Å; H970-Y984 PolarHBondContact NE2-OH 2.79Å; W980-Y984 HydrophobicContact CH2-CE2 4.32Å; W980-Y984 HydrophobicContact CZ2-CD2 4.15Å; W980-Y984 AromaticContact CZ2-CE2 3.97Å; W980-Y984 HydrophobicContact CZ2-CE2 3.97Å; W980-Y984 PolarHBondContact NE1-O 2.91Å; R982-Y984 HydrophobicContact CB-CD1 4.25Å; R982-Y984 HydrophobicContact CB-CE1 3.96Å; R982-Y984 HydrophobicContact CG-CE1 4.47Å; R982-Y984 PolarHBondContact NH1-OH 3.5Å; R982-Y984 VanDerWaalsContact NH1-OH 3.08Å; R982-Y984 PolarHBondContact O-N 3.09Å; Y984-A989 HydrophobicContact CD2-CB 4.25Å; Y984-A989 HydrophobicContact CE2-CB 3.94Å
985	S	98.3	Very high	97.3	Very high	52 Å²	52	64.6 Å²	64.6	36%	0.364	35%	0.351	S	S	.	.			trans	-81.3	164.7	-171.4	94.4	0	0	0	0	113.6	E987 Y988 A989	S985-E987 VanDerWaalsContact C-N 3.29Å; S985-E987 WeakPolarHBondContact CB-OE2 3.34Å; S985-E987 PolarHBondContact OG-N 2.91Å; S985-E987 PolarHBondContact OG-OE2 2.94Å; S985-Y988 PolarHBondContact O-N 3.28Å; S985-Y988 PolarHBondContact OG-N 3.01Å; S985-Y988 VanDerWaalsContact OG-N 3.15Å; S985-A989 WeakPolarHBondContact O-CB 3.33Å; S985-A989 PolarHBondContact O-N 3.3Å
986	R	98.5	Very high	97.3	Very high	70 Å²	70	64.2 Å²	64.2	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-68.1	-32.6	176.9	-64.4	179.4	-169.5	-143.1	5.6	111.7	I975 S977 W980 A989 A990	I975-R986 HydrophobicContact CG2-CB 4.46Å; I975-R986 PolarHBondContact O-NH1 3.39Å; S977-R986 PolarHBondContact O-NH1 2.97Å; S977-R986 PolarHBondContact O-NH2 2.88Å; W980-R986 HydrophobicContact CD2-CG 3.62Å; W980-R986 HydrophobicContact CE3-CG 3.85Å; W980-R986 HydrophobicContact CG-CG 4.13Å; W980-R986 HydrophobicContact CH2-CG 4.15Å; W980-R986 HydrophobicContact CZ2-CB 4.46Å; W980-R986 HydrophobicContact CZ2-CG 3.93Å; W980-R986 HydrophobicContact CZ3-CG 4.12Å; R986-A989 WeakPolarHBondContact O-CB 3.5Å; R986-A989 PolarHBondContact O-N 2.67Å; R986-A990 WeakPolarHBondContact O-CB 3.37Å; R986-A990 PolarHBondContact O-N 2.84Å
987	E	98.1	Very high	97.2	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-47.4	175.4	-54.1	68.1	-145.6	0	0	109.7	S985 A989 A990 F991	S985-E987 VanDerWaalsContact C-N 3.29Å; S985-E987 WeakPolarHBondContact CB-OE2 3.34Å; S985-E987 PolarHBondContact OG-N 2.91Å; S985-E987 PolarHBondContact OG-OE2 2.94Å; E987-A989 VanDerWaalsContact C-N 3.26Å; E987-A989 PolarHBondContact O-N 3.36Å; E987-A990 PolarHBondContact O-N 2.84Å; E987-F991 CarbonylContact O-C 3.59Å; E987-F991 VanDerWaalsContact O-C 3.22Å; E987-F991 VanDerWaalsContact O-CA 3.3Å; E987-F991 WeakPolarHBondContact O-CA 3.47Å; E987-F991 PolarHBondContact O-N 3.39Å
988	Y	97.6	Very high	97.3	Very high	72 Å²	72	69.8 Å²	69.8	28%	0.282	36%	0.364	S	S	.	.	H	α-helix	trans	-66.1	-29.9	175.5	-165.4	-120	0	0	0	112.9	R904 E949 M958 P964 S985	R904-Y988 PolarHBondContact NH2-O 3.45Å; E949-Y988 HydrophobicContact CG-CE1 4.39Å; E949-Y988 VanDerWaalsContact CG-OH 3.27Å; E949-Y988 WeakPolarHBondContact CG-OH 3.39Å; M958-Y988 HydrophobicContact CE-CE1 4.19Å; P964-Y988 HydrophobicContact CG-CD1 3.89Å; P964-Y988 HydrophobicContact CG-CE1 3.84Å; S985-Y988 PolarHBondContact O-N 3.28Å; S985-Y988 PolarHBondContact OG-N 3.01Å; S985-Y988 VanDerWaalsContact OG-N 3.15Å
989	A	98.4	Very high	97.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-68.7	-49.9	173.2	0	0	0	0	0	112.5	R904 H970 I975 W980 Y984 S985 R986 E987	R904-A989 PolarHBondContact NH1-O 2.85Å; H970-A989 HydrophobicContact CB-CB 4.37Å; I975-A989 HydrophobicContact CD1-CB 3.69Å; W980-A989 HydrophobicContact CH2-CB 3.64Å; W980-A989 HydrophobicContact CZ2-CB 4.01Å; Y984-A989 HydrophobicContact CD2-CB 4.25Å; Y984-A989 HydrophobicContact CE2-CB 3.94Å; S985-A989 WeakPolarHBondContact O-CB 3.33Å; S985-A989 PolarHBondContact O-N 3.3Å; R986-A989 WeakPolarHBondContact O-CB 3.5Å; R986-A989 PolarHBondContact O-N 2.67Å; E987-A989 VanDerWaalsContact C-N 3.26Å; E987-A989 PolarHBondContact O-N 3.36Å
990	A	98.1	Very high	97.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-103.1	-25.1	-167.8	0	0	0	0	0	115.9	I975 R986 E987 P992 K1001 W1003	I975-A990 HydrophobicContact CD1-CB 3.98Å; I975-A990 HydrophobicContact CG1-CB 4.02Å; I975-A990 HydrophobicContact CG2-CB 4.43Å; R986-A990 WeakPolarHBondContact O-CB 3.37Å; R986-A990 PolarHBondContact O-N 2.84Å; E987-A990 PolarHBondContact O-N 2.84Å; A990-P992 VanDerWaalsContact C-CD 3.44Å; A990-K1001 WeakPolarHBondContact O-CE 3.29Å; A990-K1001 PolarHBondContact O-NZ 3.36Å; A990-W1003 HydrophobicContact CB-CH2 3.9Å; A990-W1003 HydrophobicContact CB-CZ3 4.23Å
991	F	98.3	Very high	97.3	Very high	65 Å²	65	68 Å²	68	29%	0.285	35%	0.347	S	S	.	.			trans	-131.6	55.7	-174.9	-53.7	-79.3	0	0	0	111.1	E987 L993 I996 P998 K1001 W1003	E987-F991 CarbonylContact O-C 3.59Å; E987-F991 VanDerWaalsContact O-C 3.22Å; E987-F991 VanDerWaalsContact O-CA 3.3Å; E987-F991 WeakPolarHBondContact O-CA 3.47Å; E987-F991 PolarHBondContact O-N 3.39Å; F991-L993 VanDerWaalsContact C-N 3.27Å; F991-L993 PolarHBondContact O-N 2.94Å; F991-I996 HydrophobicContact CD1-CG2 4.03Å; F991-P998 HydrophobicContact CE1-CG 4.1Å; F991-P998 HydrophobicContact CZ-CG 4.28Å; F991-K1001 HydrophobicContact CE1-CB 3.99Å; F991-K1001 HydrophobicContact CE1-CD 4.24Å; F991-K1001 HydrophobicContact CE1-CG 4.02Å; F991-K1001 HydrophobicContact CZ-CG 4.47Å; F991-W1003 HydrophobicContact CZ-CZ2 4.27Å
992	P	97.9	Very high	97.5	Very high	18 Å²	18	62 Å²	62	12%	0.117	31%	0.314	C	S	.	.			trans	-68.4	-17.1	-167.4	27.1	-36.1	0	0	0	115.4	Y908 A990 I996	Y908-P992 HydrophobicContact CD1-CB 4.33Å; Y908-P992 HydrophobicContact CD1-CG 3.64Å; Y908-P992 HydrophobicContact CD2-CG 3.66Å; Y908-P992 HydrophobicContact CE1-CB 3.74Å; Y908-P992 HydrophobicContact CE1-CG 3.57Å; Y908-P992 HydrophobicContact CE2-CB 3.94Å; Y908-P992 HydrophobicContact CE2-CG 3.57Å; Y908-P992 HydrophobicContact CG-CG 3.7Å; A990-P992 VanDerWaalsContact C-CD 3.44Å; P992-I996 HydrophobicContact CG-CD1 4.25Å
993	L	98.2	Very high	97.6	Very high	43 Å²	43	62.1 Å²	62.1	23%	0.225	31%	0.314	C	S	.	.	S	Bend	trans	-140.2	153.8	175.1	-71.9	176	0	0	0	111.5	Y908 D941 A945 F991 F995 I996	Y908-L993 HydrophobicContact CD1-CD1 4Å; Y908-L993 HydrophobicContact CD1-CG 4.32Å; Y908-L993 HydrophobicContact CE1-CD1 3.75Å; Y908-L993 HydrophobicContact CE1-CG 3.87Å; D941-L993 HydrophobicContact CB-CD1 4.19Å; A945-L993 HydrophobicContact CB-CD1 4Å; A945-L993 HydrophobicContact CB-CD2 4.31Å; A945-L993 HydrophobicContact CB-CG 4.28Å; F991-L993 VanDerWaalsContact C-N 3.27Å; F991-L993 PolarHBondContact O-N 2.94Å; L993-F995 HydrophobicContact CB-CD1 3.99Å; L993-F995 HydrophobicContact CB-CE1 3.81Å; L993-F995 HydrophobicContact CB-CZ 4.43Å; L993-F995 HydrophobicContact CD1-CD1 4.49Å; L993-F995 HydrophobicContact CD1-CE1 3.62Å; L993-F995 HydrophobicContact CD1-CZ 4.19Å; L993-F995 HydrophobicContact CG-CE1 4.39Å; L993-F995 PolarHBondContact O-N 3.49Å; L993-I996 HydrophobicContact CB-CD1 3.79Å; L993-I996 WeakPolarHBondContact O-CD1 3.33Å; L993-I996 PolarHBondContact O-N 2.64Å
994	P	97.7	Very high	97.7	Very high	112 Å²	112	57.9 Å²	57.9	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.3	-170.7	-23.6	35.2	0	0	0	117.5	R997	P994-R997 PolarHBondContact O-NE 2.86Å; P994-R997 VanDerWaalsContact O-NE 3.13Å
995	F	97.6	Very high	97.7	Very high	53 Å²	53	58.9 Å²	58.9	23%	0.232	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-21.4	172.5	67.2	-104.8	0	0	0	113.1	F910 R938 A942 L993 R997	F910-F995 HydrophobicContact CE2-CE2 4.01Å; F910-F995 HydrophobicContact CE2-CZ 4.14Å; R938-F995 HydrophobicContact CB-CD1 4.37Å; R938-F995 HydrophobicContact CB-CD2 4.3Å; R938-F995 HydrophobicContact CB-CE1 4.08Å; R938-F995 HydrophobicContact CB-CE2 4.02Å; R938-F995 HydrophobicContact CB-CG 4.47Å; R938-F995 HydrophobicContact CB-CZ 3.91Å; R938-F995 HydrophobicContact CG-CB 4.28Å; R938-F995 HydrophobicContact CG-CD1 3.88Å; R938-F995 HydrophobicContact CG-CD2 3.96Å; R938-F995 HydrophobicContact CG-CE1 4.11Å; R938-F995 HydrophobicContact CG-CE2 4.2Å; R938-F995 HydrophobicContact CG-CG 3.8Å; R938-F995 HydrophobicContact CG-CZ 4.27Å; R938-F995 VanDerWaalsContact O-CZ 3.29Å; R938-F995 WeakPolarHBondContact O-CZ 3.36Å; A942-F995 HydrophobicContact CB-CZ 4.41Å; L993-F995 HydrophobicContact CB-CD1 3.99Å; L993-F995 HydrophobicContact CB-CE1 3.81Å; L993-F995 HydrophobicContact CB-CZ 4.43Å; L993-F995 HydrophobicContact CD1-CD1 4.49Å; L993-F995 HydrophobicContact CD1-CE1 3.62Å; L993-F995 HydrophobicContact CD1-CZ 4.19Å; L993-F995 HydrophobicContact CG-CE1 4.39Å; L993-F995 PolarHBondContact O-N 3.49Å; F995-R997 PolarHBondContact O-N 2.74Å
996	I	97.6	Very high	97.7	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.062	28%	0.279	C	S	.	.	S	Bend	trans	-82.1	110.2	169.4	-53.8	92.7	0	0	0	107.2	Y908 F991 P992 L993 K1001	Y908-I996 HydrophobicContact CD1-CD1 4.21Å; Y908-I996 WeakPolarHBondContact O-CG1 3.35Å; F991-I996 HydrophobicContact CD1-CG2 4.03Å; P992-I996 HydrophobicContact CG-CD1 4.25Å; L993-I996 HydrophobicContact CB-CD1 3.79Å; L993-I996 WeakPolarHBondContact O-CD1 3.33Å; L993-I996 PolarHBondContact O-N 2.64Å; I996-K1001 HydrophobicContact CG2-CD 3.61Å
997	R	95.3	Very high	97.6	Very high	141 Å²	141	54.2 Å²	54.2	53%	0.532	27%	0.273	S	S	.	.			trans	-125.3	156.6	-175.3	-59.2	-175.8	-178	178.2	2.3	111.3	P994 F995 E999 T1000 K1001	P994-R997 PolarHBondContact O-NE 2.86Å; P994-R997 VanDerWaalsContact O-NE 3.13Å; F995-R997 PolarHBondContact O-N 2.74Å; R997-E999 WeakPolarHBondContact CB-OE2 3.16Å; R997-E999 PolarHBondContact O-N 3.22Å; R997-E999 VanDerWaalsContact O-N 3.14Å; R997-T1000 PolarHBondContact N-OG1 3.26Å; R997-T1000 CarbonylContact O-C 3.51Å; R997-T1000 PolarHBondContact O-N 2.87Å; R997-T1000 PolarHBondContact O-OG1 3.35Å; R997-K1001 VanDerWaalsContact O-CB 3.32Å; R997-K1001 WeakPolarHBondContact O-CB 3.32Å; R997-K1001 PolarHBondContact O-N 3.22Å
998	P	97.3	Very high	97.6	Very high	95 Å²	95	51 Å²	51	62%	0.617	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.4	178.7	-26.4	35.2	0	0	0	113.9	F991 T1000	F991-P998 HydrophobicContact CE1-CG 4.1Å; F991-P998 HydrophobicContact CZ-CG 4.28Å; P998-T1000 VanDerWaalsContact C-N 3.34Å; P998-T1000 PolarHBondContact O-N 3.25Å
999	E	96.2	Very high	97.6	Very high	144 Å²	144	48.2 Å²	48.2	67%	0.673	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.8	179.9	-46.1	75.9	-116.4	0	0	113.9	R997	R997-E999 WeakPolarHBondContact CB-OE2 3.16Å; R997-E999 PolarHBondContact O-N 3.22Å; R997-E999 VanDerWaalsContact O-N 3.14Å
1000	T	93.9	Very high	97.5	Very high	100 Å²	100	50.2 Å²	50.2	61%	0.613	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	1.2	-175.3	57.5	0	0	0	0	113.5	R997 P998 F1002	R997-T1000 PolarHBondContact N-OG1 3.26Å; R997-T1000 CarbonylContact O-C 3.51Å; R997-T1000 PolarHBondContact O-N 2.87Å; R997-T1000 PolarHBondContact O-OG1 3.35Å; P998-T1000 VanDerWaalsContact C-N 3.34Å; P998-T1000 PolarHBondContact O-N 3.25Å; T1000-F1002 PolarHBondContact O-N 3.3Å
1001	K	98.1	Very high	97.3	Very high	17 Å²	17	53.7 Å²	53.7	7%	0.074	28%	0.275	C	S	.	.			trans	-68.1	103.7	-174.2	178	64	-174.9	-178.7	0	111.5	D907 A990 F991 I996 R997 W1003	D907-K1001 PolarHBondContact O-NZ 3.46Å; A990-K1001 WeakPolarHBondContact O-CE 3.29Å; A990-K1001 PolarHBondContact O-NZ 3.36Å; F991-K1001 HydrophobicContact CE1-CB 3.99Å; F991-K1001 HydrophobicContact CE1-CD 4.24Å; F991-K1001 HydrophobicContact CE1-CG 4.02Å; F991-K1001 HydrophobicContact CZ-CG 4.47Å; I996-K1001 HydrophobicContact CG2-CD 3.61Å; R997-K1001 VanDerWaalsContact O-CB 3.32Å; R997-K1001 WeakPolarHBondContact O-CB 3.32Å; R997-K1001 PolarHBondContact O-N 3.22Å; K1001-W1003 HydrophobicContact CG-CD2 3.95Å; K1001-W1003 VanDerWaalsContact CG-CE2 3.46Å; K1001-W1003 HydrophobicContact CG-CG 4.28Å; K1001-W1003 HydrophobicContact CG-CH2 4.43Å; K1001-W1003 HydrophobicContact CG-CZ2 3.76Å; K1001-W1003 VanDerWaalsContact O-CD1 3.3Å
1002	F	98.6	Very high	97.2	Very high	21 Å²	21	56.2 Å²	56.2	9%	0.092	29%	0.29	C	S	.	.			trans	-65	135.6	159.1	-165.8	-84.5	0	0	0	109.7	V188 I566 H570 T1000	V188-F1002 HydrophobicContact CB-CE1 3.96Å; V188-F1002 HydrophobicContact CG1-CD1 4.23Å; V188-F1002 HydrophobicContact CG1-CE1 3.81Å; I566-F1002 HydrophobicContact CB-CD1 4.34Å; I566-F1002 HydrophobicContact CB-CD2 4.45Å; I566-F1002 HydrophobicContact CB-CE1 4.02Å; I566-F1002 HydrophobicContact CB-CE2 4.12Å; I566-F1002 HydrophobicContact CB-CZ 3.9Å; I566-F1002 HydrophobicContact CD1-CD1 4.26Å; I566-F1002 HydrophobicContact CD1-CG 4.24Å; I566-F1002 HydrophobicContact CG1-CD1 4.5Å; I566-F1002 HydrophobicContact CG1-CD2 4.32Å; I566-F1002 HydrophobicContact CG1-CE2 4.44Å; I566-F1002 HydrophobicContact CG1-CG 4.35Å; I566-F1002 VanDerWaalsContact N-CZ 3.34Å; H570-F1002 AromaticContact CD2-CD2 3.58Å; H570-F1002 AromaticContact CE1-CE2 3.88Å; H570-F1002 AromaticContact NE2-CD2 3.66Å; H570-F1002 AromaticContact NE2-CE2 3.69Å; T1000-F1002 PolarHBondContact O-N 3.3Å
1003	W	98.6	Very high	97.1	Very high	64 Å²	64	59.2 Å²	59.2	24%	0.242	30%	0.3	C	S	.	.			trans	-110.8	119.3	-177.3	-78.2	101.8	0	0	0	111.5	L972 I975 A990 F991 K1001 T1005	L972-W1003 HydrophobicContact CB-CD2 3.91Å; L972-W1003 HydrophobicContact CB-CE3 3.79Å; L972-W1003 HydrophobicContact CB-CG 4.26Å; L972-W1003 HydrophobicContact CB-CZ3 4.32Å; L972-W1003 HydrophobicContact CD1-CD2 4.08Å; L972-W1003 HydrophobicContact CD1-CE3 4.28Å; L972-W1003 HydrophobicContact CD1-CH2 4.05Å; L972-W1003 HydrophobicContact CD1-CZ2 3.83Å; L972-W1003 HydrophobicContact CD1-CZ3 4.27Å; L972-W1003 HydrophobicContact CG-CD2 4.48Å; I975-W1003 HydrophobicContact CB-CH2 4.09Å; I975-W1003 HydrophobicContact CB-CZ3 4.12Å; I975-W1003 HydrophobicContact CG1-CH2 4.08Å; I975-W1003 HydrophobicContact CG1-CZ3 3.78Å; I975-W1003 HydrophobicContact CG2-CH2 4.03Å; A990-W1003 HydrophobicContact CB-CH2 3.9Å; A990-W1003 HydrophobicContact CB-CZ3 4.23Å; F991-W1003 HydrophobicContact CZ-CZ2 4.27Å; K1001-W1003 HydrophobicContact CG-CD2 3.95Å; K1001-W1003 VanDerWaalsContact CG-CE2 3.46Å; K1001-W1003 HydrophobicContact CG-CG 4.28Å; K1001-W1003 HydrophobicContact CG-CH2 4.43Å; K1001-W1003 HydrophobicContact CG-CZ2 3.76Å; K1001-W1003 VanDerWaalsContact O-CD1 3.3Å; W1003-T1005 PolarHBondContact O-N 3.02Å
1004	P	98.6	Very high	96.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.			trans	-53.8	124.7	161.9	-24	35.3	0	0	0	109.6	V188 Q906 P969 S971 I1006	V188-P1004 HydrophobicContact CG1-CB 4.33Å; V188-P1004 HydrophobicContact CG1-CG 4.29Å; Q906-P1004 HydrophobicContact CB-CG 4.02Å; P969-P1004 HydrophobicContact CB-CB 3.59Å; P969-P1004 HydrophobicContact CB-CG 3.71Å; P969-P1004 HydrophobicContact CG-CB 4.06Å; S971-P1004 VanDerWaalsContact CA-O 3.29Å; S971-P1004 WeakPolarHBondContact CA-O 3.27Å; S971-P1004 WeakPolarHBondContact CB-O 3.46Å; P1004-I1006 VanDerWaalsContact C-N 3.3Å; P1004-I1006 PolarHBondContact O-N 2.67Å
1005	T	98.1	Very high	96.6	Very high	42 Å²	42	54.2 Å²	54.2	26%	0.258	27%	0.267	S	S	.	.	S	Bend	trans	-84.5	-11.4	-166.2	59.5	0	0	0	0	113.8	E187 Q190 K564 W1003	E187-T1005 PolarHBondContact O-N 3.3Å; E187-T1005 PolarHBondContact O-OG1 2.91Å; E187-T1005 VanDerWaalsContact O-OG1 3.1Å; Q190-T1005 WeakPolarHBondContact CG-OG1 3.31Å; K564-T1005 HydrophobicContact CB-CG2 3.81Å; K564-T1005 HydrophobicContact CG-CG2 4.04Å; W1003-T1005 PolarHBondContact O-N 3.02Å
1006	I	98.3	Very high	96.4	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	29%	0.288	C	S	.	.	S	Bend	trans	-146.6	165.3	-177	60.1	163.6	0	0	0	108.2	E187 Q190 D374 K378 V380 P1004 I1009	E187-I1006 HydrophobicContact CB-CD1 4.24Å; E187-I1006 HydrophobicContact CB-CG1 3.73Å; E187-I1006 HydrophobicContact CG-CD1 3.97Å; E187-I1006 HydrophobicContact CG-CG1 3.83Å; Q190-I1006 HydrophobicContact CG-CD1 3.95Å; Q190-I1006 HydrophobicContact CG-CG1 4.09Å; Q190-I1006 HydrophobicContact CG-CG2 4.1Å; D374-I1006 HydrophobicContact CB-CB 4.48Å; K378-I1006 HydrophobicContact CD-CG2 4.49Å; V380-I1006 HydrophobicContact CB-CD1 3.78Å; V380-I1006 HydrophobicContact CB-CG2 4.36Å; V380-I1006 HydrophobicContact CG1-CB 3.83Å; V380-I1006 HydrophobicContact CG1-CD1 3.75Å; V380-I1006 HydrophobicContact CG1-CG1 4.39Å; V380-I1006 HydrophobicContact CG1-CG2 3.38Å; V380-I1006 HydrophobicContact CG2-CD1 4.11Å; P1004-I1006 VanDerWaalsContact C-N 3.3Å; P1004-I1006 PolarHBondContact O-N 2.67Å; I1006-I1009 HydrophobicContact CD1-CD1 4.25Å
1007	S	97.6	Very high	96.1	Very high	18 Å²	18	61.5 Å²	61.5	13%	0.126	30%	0.304	C	S	.	.	S	Bend	trans	-76.1	-178.6	171.7	-33.5	0	0	0	0	110.4	E187 D374 I1009	E187-S1007 VanDerWaalsContact CG-O 3.31Å; E187-S1007 WeakPolarHBondContact CG-O 3.44Å; D374-S1007 WeakPolarHBondContact OD2-CA 3.35Å; D374-S1007 WeakPolarHBondContact OD2-CB 3.46Å; D374-S1007 PolarHBondContact OD2-N 2.96Å; D374-S1007 PolarHBondContact OD2-OG 2.85Å; S1007-I1009 PolarHBondContact O-N 3.1Å
1008	R	98.1	Very high	96	Very high	48 Å²	48	57.6 Å²	57.6	18%	0.181	29%	0.293	C	S	.	.	S	Bend	trans	-54	134.2	177.3	-173.7	176.1	-63	-158.2	0.2	111.8	D374 A375 D900 K903 L965 K966 A968	D374-R1008 CarbonylContact C-O 3.52Å; D374-R1008 WeakPolarHBondContact CA-O 3.47Å; A375-R1008 HydrophobicContact CB-CB 4.38Å; A375-R1008 PolarHBondContact N-O 2.93Å; D900-R1008 IonicContact OD1-CZ 3.68Å; D900-R1008 IonicContact OD1-NH1 3.74Å; D900-R1008 PolarHBondContact OD1-NH1 3.48Å; D900-R1008 IonicContact OD1-NH2 2.75Å; K903-R1008 HydrophobicContact CG-CG 4.39Å; L965-R1008 PolarHBondContact O-NH2 3.38Å; K966-R1008 PolarHBondContact O-NH2 2.95Å; A968-R1008 VanDerWaalsContact O-CZ 3.27Å; A968-R1008 PolarHBondContact O-NE 2.78Å; A968-R1008 PolarHBondContact O-NH2 2.95Å
1009	I	97.1	Very high	95.9	Very high	15 Å²	15	56 Å²	56	8%	0.077	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-67.8	142	-179.1	-162	69	0	0	0	113.3	P186 E187 T372 V380 R382 I1006 S1007 D1011	P186-I1009 HydrophobicContact CB-CD1 4.35Å; P186-I1009 HydrophobicContact CB-CG1 4.37Å; P186-I1009 HydrophobicContact CG-CG1 4.36Å; P186-I1009 HydrophobicContact CG-CG2 4.44Å; E187-I1009 WeakPolarHBondContact OE1-CG2 3.32Å; E187-I1009 PolarHBondContact OE1-N 3.41Å; T372-I1009 HydrophobicContact CG2-CD1 3.35Å; T372-I1009 HydrophobicContact CG2-CG1 3.88Å; V380-I1009 HydrophobicContact CB-CD1 4.38Å; V380-I1009 HydrophobicContact CG2-CD1 3.41Å; V380-I1009 VanDerWaalsContact CG2-CD1 3.41Å; R382-I1009 HydrophobicContact CB-CD1 4.18Å; R382-I1009 HydrophobicContact CB-CG1 4.02Å; I1006-I1009 HydrophobicContact CD1-CD1 4.25Å; S1007-I1009 PolarHBondContact O-N 3.1Å; I1009-D1011 WeakPolarHBondContact CG2-OD1 3.38Å
1010	D	96.6	Very high	95.9	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.219	25%	0.252	C	S	.	.			trans	-91.1	98.6	165.4	-171.3	-23.7	0	0	0	109.6	T372 R373 I1012 Y1013	T372-D1010 PolarHBondContact OG1-O 3.32Å; R373-D1010 HydrophobicContact CG-CB 3.8Å; R373-D1010 IonicContact CZ-OD2 3.6Å; R373-D1010 VanDerWaalsContact CZ-OD2 3.24Å; R373-D1010 IonicContact NE-OD2 3.78Å; R373-D1010 PolarHBondContact NE-OD2 3.49Å; R373-D1010 IonicContact NH2-OD2 2.87Å; R373-D1010 PolarHBondContact NH2-OD2 2.86Å; R373-D1010 VanDerWaalsContact O-CB 3.32Å; R373-D1010 WeakPolarHBondContact O-CB 3.4Å; R373-D1010 PolarHBondContact O-N 3.13Å; D1010-I1012 PolarHBondContact OD1-N 2.87Å; D1010-Y1013 WeakPolarHBondContact OD1-CB 3.22Å; D1010-Y1013 PolarHBondContact OD1-N 3.32Å; D1010-Y1013 VanDerWaalsContact OD2-CB 3.3Å; D1010-Y1013 WeakPolarHBondContact OD2-CB 3.41Å
1011	D	93.4	Very high	95.9	Very high	74 Å²	74	46.8 Å²	46.8	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-72.6	-26.5	-177.4	-76.9	-26.3	0	0	0	113.7	R382 I1009	R382-D1011 WeakPolarHBondContact CD-OD1 3.39Å; R382-D1011 IonicContact CZ-OD1 2.77Å; R382-D1011 PolarHBondContact NE-O 3.33Å; R382-D1011 IonicContact NE-OD1 3.54Å; R382-D1011 IonicContact NH1-OD1 2.66Å; R382-D1011 PolarHBondContact NH1-OD1 2.92Å; R382-D1011 IonicContact NH1-OD2 2.89Å; R382-D1011 PolarHBondContact NH2-O 2.67Å; I1009-D1011 WeakPolarHBondContact CG2-OD1 3.38Å
1012	I	95.7	Very high	95.2	Very high	117 Å²	117	46.7 Å²	46.7	60%	0.6	24%	0.237	S	C	*	.	H	α-helix	trans	-84.8	-40.9	-174.9	-63.5	177	0	0	0	110.2	D1010 G1014 D1015 Q1016	D1010-I1012 PolarHBondContact OD1-N 2.87Å; I1012-G1014 PolarHBondContact O-N 3.09Å; I1012-D1015 PolarHBondContact O-N 3.06Å; I1012-Q1016 HydrophobicContact CG2-CG 4.41Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.48Å; I1012-Q1016 PolarHBondContact O-N 3.04Å; I1012-Q1016 VanDerWaalsContact O-N 3.15Å
1013	Y	96.3	Very high	94.4	Very high	82 Å²	82	46.2 Å²	46.2	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-44.5	-177.8	-179.5	-94.4	0	0	0	112.7	R373 D1010 Q1016 N1017	R373-Y1013 HydrophobicContact CG-CD1 3.95Å; R373-Y1013 HydrophobicContact CG-CE1 4.42Å; R373-Y1013 HydrophobicContact CG-CG 4.2Å; R373-Y1013 VanDerWaalsContact CZ-CD2 3.43Å; D1010-Y1013 WeakPolarHBondContact OD1-CB 3.22Å; D1010-Y1013 PolarHBondContact OD1-N 3.32Å; D1010-Y1013 VanDerWaalsContact OD2-CB 3.3Å; D1010-Y1013 WeakPolarHBondContact OD2-CB 3.41Å; Y1013-Q1016 PolarHBondContact O-N 2.68Å; Y1013-N1017 WeakPolarHBondContact CD2-ND2 3.35Å; Y1013-N1017 HydrophobicContact CE1-CB 4.23Å; Y1013-N1017 WeakPolarHBondContact CE2-ND2 3.45Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.37Å; Y1013-N1017 PolarHBondContact O-N 2.85Å; Y1013-N1017 PolarHBondContact O-ND2 3.04Å
1014	G	94	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-31.8	179.4	0	0	0	0	0	114.4	T372 I1012 Q1016 N1017	T372-G1014 PolarHBondContact OG1-N 3.44Å; T372-G1014 VanDerWaalsContact OG1-N 3.09Å; I1012-G1014 PolarHBondContact O-N 3.09Å; G1014-Q1016 VanDerWaalsContact C-N 3.26Å; G1014-Q1016 PolarHBondContact O-N 3.41Å; G1014-N1017 CarbonylContact O-C 3.45Å
1015	D	91.9	Very high	91.7	Very high	48 Å²	48	50 Å²	50	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-75.1	-17.5	173.8	-85.7	36.4	0	0	0	112	R382 L385 I1012	R382-D1015 IonicContact CZ-OD1 2.77Å; R382-D1015 IonicContact NE-OD1 2.75Å; R382-D1015 IonicContact NH2-OD1 3.9Å; R382-D1015 PolarHBondContact NH2-OD1 3.35Å; R382-D1015 IonicContact NH2-OD2 3.5Å; L385-D1015 VanDerWaalsContact CA-OD2 3.29Å; L385-D1015 WeakPolarHBondContact CA-OD2 3.33Å; L385-D1015 HydrophobicContact CD2-CB 4.21Å; L385-D1015 PolarHBondContact N-OD1 2.81Å; L385-D1015 PolarHBondContact N-OD2 2.73Å; I1012-D1015 PolarHBondContact O-N 3.06Å
1016	Q	92.3	Very high	89.4	Confident	143 Å²	143	55.6 Å²	55.6	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-91.4	-35.8	172.1	-70	179	0.4	0	0	113.2	I1012 Y1013 G1014	I1012-Q1016 HydrophobicContact CG2-CG 4.41Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.48Å; I1012-Q1016 PolarHBondContact O-N 3.04Å; I1012-Q1016 VanDerWaalsContact O-N 3.15Å; Y1013-Q1016 PolarHBondContact O-N 2.68Å; G1014-Q1016 VanDerWaalsContact C-N 3.26Å; G1014-Q1016 PolarHBondContact O-N 3.41Å
1017	N	92.2	Very high	87.5	Confident	75 Å²	75	58.6 Å²	58.6	40%	0.401	31%	0.306	S	S	.	.	S	Bend	trans	-113.5	62.8	-175.8	-58.5	-89.3	0	0	0	109.3	Y1013 G1014 V1019	Y1013-N1017 WeakPolarHBondContact CD2-ND2 3.35Å; Y1013-N1017 HydrophobicContact CE1-CB 4.23Å; Y1013-N1017 WeakPolarHBondContact CE2-ND2 3.45Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.37Å; Y1013-N1017 PolarHBondContact O-N 2.85Å; Y1013-N1017 PolarHBondContact O-ND2 3.04Å; G1014-N1017 CarbonylContact O-C 3.45Å; N1017-V1019 PolarHBondContact O-N 2.78Å
1018	L	94	Very high	85.4	Confident	59 Å²	59	60.7 Å²	60.7	31%	0.309	31%	0.312	S	S	.	.			trans	-69.9	102	-166.3	-171.8	73.1	0	0	0	112.8	V361 M368 A384 L385	V361-L1018 HydrophobicContact CG1-CD2 4Å; V361-L1018 HydrophobicContact CG2-CD2 4.04Å; M368-L1018 HydrophobicContact CE-CD1 4.08Å; M368-L1018 HydrophobicContact CE-CD2 4.35Å; A384-L1018 HydrophobicContact CB-CD1 3.95Å; L385-L1018 HydrophobicContact CD1-CD1 4.1Å; L385-L1018 HydrophobicContact CD1-CD2 3.73Å; L385-L1018 HydrophobicContact CG-CD1 3.99Å; L385-L1018 HydrophobicContact CG-CD2 4.48Å
1019	V	94.9	Very high	82.9	Confident	63 Å²	63	64 Å²	64	38%	0.382	33%	0.329	S	S	.	.			trans	-117.4	121.3	170.8	176.9	0	0	0	0	108.5	G370 V371 N1017	G370-V1019 CarbonylContact C-O 3.58Å; G370-V1019 WeakPolarHBondContact CA-O 3.44Å; V371-V1019 HydrophobicContact CB-CB 4.11Å; V371-V1019 HydrophobicContact CB-CG1 4.34Å; V371-V1019 HydrophobicContact CG2-CB 4.17Å; V371-V1019 HydrophobicContact CG2-CG1 3.89Å; V371-V1019 PolarHBondContact N-O 3.28Å; N1017-V1019 PolarHBondContact O-N 2.78Å
1020	C	94.8	Very high	80.4	Confident	7 Å²	7	65.7 Å²	65.7	5%	0.047	34%	0.343	C	S	.	.			trans	-123	18.4	-171.4	-71.8	0	0	0	0	114.1	L197 Q200 V211 M368 V369	L197-C1020 WeakPolarHBondContact CD1-O 3.22Å; Q200-C1020 WeakPolarHBondContact CB-O 3.43Å; Q200-C1020 PolarHBondContact NE2-O 2.92Å; V211-C1020 HydrophobicContact CG1-CB 4.05Å; M368-C1020 WeakPolarHBondContact CE-SG 3.4Å; M368-C1020 HydrophobicContact CG-CB 4.4Å; M368-C1020 HydrophobicContact SD-CB 4.4Å; V369-C1020 PolarHBondContact O-SG 2.87Å
1021	T	93.8	Very high	78	Confident	42 Å²	42	69.2 Å²	69.2	26%	0.258	37%	0.368	S	S	.	.	S	Bend	trans	-129.1	170.6	172.1	52.6	0	0	0	0	109.7	T201 C204 P1023	T201-T1021 VanDerWaalsContact OG1-CA 3.27Å; T201-T1021 WeakPolarHBondContact OG1-CA 3.1Å; C204-T1021 HydrophobicContact CB-CG2 4.07Å; T1021-P1023 WeakPolarHBondContact O-CD 3.23Å
1022	C	85.1	Confident	75.6	Confident	16 Å²	16	74 Å²	74	11%	0.108	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-59.9	121.2	175.8	-62.6	0	0	0	0	110.7	N198 T201 H542	N198-C1022 PolarHBondContact OD1-SG 2.97Å; N198-C1022 VanDerWaalsContact OD1-SG 3.41Å; T201-C1022 HydrophobicContact CG2-CB 4.22Å; T201-C1022 PolarHBondContact OG1-N 3.33Å; T201-C1022 PolarHBondContact OG1-SG 3.18Å; H542-C1022 WeakPolarHBondContact ND1-CB 3.34Å
1023	P	80.8	Confident	73	Confident	10 Å²	10	75 Å²	75	7%	0.065	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.5	170.3	171.8	27.7	-29.9	0	0	0	111.2	V371 E379 H542 T1021 Y1028	V371-P1023 HydrophobicContact CG1-CG 4.41Å; V371-P1023 HydrophobicContact CG2-CG 4.14Å; E379-P1023 WeakPolarHBondContact OE1-CG 3.49Å; H542-P1023 PolarHBondContact NE2-O 3.12Å; H542-P1023 VanDerWaalsContact NE2-O 3.16Å; T1021-P1023 WeakPolarHBondContact O-CD 3.23Å; P1023-Y1028 HydrophobicContact CG-CE2 4.05Å; P1023-Y1028 WeakPolarHBondContact O-CE2 3.17Å
1024	P	77.6	Confident	70.2	Confident	87 Å²	87	80 Å²	80	57%	0.565	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-59.8	151.2	179.4	-24.6	35.6	0	0	0	113.9	E1026 V1027	P1024-E1026 PolarHBondContact O-N 2.93Å; P1024-E1026 VanDerWaalsContact O-N 3.13Å; P1024-V1027 WeakPolarHBondContact O-CG2 3.4Å; P1024-V1027 PolarHBondContact O-N 3.24Å; P1024-V1027 VanDerWaalsContact O-N 3.15Å
1025	M	63.9	Low	67.6	Low	58 Å²	58	88.7 Å²	88.7	29%	0.286	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.4	-176.1	-79	-66	-50	0	0	115.3	Q543 V1027 Y1028 E1029	Q543-M1025 HydrophobicContact CB-CG 3.52Å; Q543-M1025 HydrophobicContact CB-SD 3.85Å; Q543-M1025 HydrophobicContact CG-CE 4.47Å; Q543-M1025 HydrophobicContact CG-CG 4.22Å; Q543-M1025 HydrophobicContact CG-SD 4.25Å; M1025-V1027 PolarHBondContact O-N 3.16Å; M1025-Y1028 HydrophobicContact CE-CG 4.41Å; M1025-Y1028 WeakPolarHBondContact O-CB 3.49Å; M1025-Y1028 PolarHBondContact O-N 3Å; M1025-Y1028 HydrophobicContact SD-CD2 4.1Å; M1025-Y1028 HydrophobicContact SD-CG 4.2Å; M1025-E1029 PolarHBondContact O-N 3.12Å
1026	E	49.8	Very low	64.9	Low	158 Å²	158	97.7 Å²	97.7	74%	0.738	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-55.6	-23.7	175.1	-62.1	179.3	-168.8	0	0	112.9	P1024	P1024-E1026 PolarHBondContact O-N 2.93Å; P1024-E1026 VanDerWaalsContact O-N 3.13Å
1027	V	57.8	Low	62.3	Low	68 Å²	68	95.7 Å²	95.7	41%	0.412	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-91.6	-8	178.6	-145.5	0	0	0	0	113.3	E379 P1024 M1025	E379-V1027 HydrophobicContact CB-CG1 3.43Å; E379-V1027 VanDerWaalsContact CB-CG1 3.43Å; E379-V1027 VanDerWaalsContact CD-CG1 3.49Å; E379-V1027 HydrophobicContact CG-CG1 4.08Å; E379-V1027 WeakPolarHBondContact OE1-CB 3.33Å; E379-V1027 WeakPolarHBondContact OE1-CG1 3.37Å; P1024-V1027 WeakPolarHBondContact O-CG2 3.4Å; P1024-V1027 PolarHBondContact O-N 3.24Å; P1024-V1027 VanDerWaalsContact O-N 3.15Å; M1025-V1027 PolarHBondContact O-N 3.16Å
1028	Y	53.8	Low	59.6	Low	62 Å²	62	97.6 Å²	97.6	24%	0.243	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11	172.7	-68	-105.7	0	0	0	112.8	Y381 P1023 M1025	Y381-Y1028 WeakPolarHBondContact OH-CE1 3.5Å; Y381-Y1028 VanDerWaalsContact OH-CZ 3.24Å; Y381-Y1028 PolarHBondContact OH-OH 2.98Å; P1023-Y1028 HydrophobicContact CG-CE2 4.05Å; P1023-Y1028 WeakPolarHBondContact O-CE2 3.17Å; M1025-Y1028 HydrophobicContact CE-CG 4.41Å; M1025-Y1028 WeakPolarHBondContact O-CB 3.49Å; M1025-Y1028 PolarHBondContact O-N 3Å; M1025-Y1028 HydrophobicContact SD-CD2 4.1Å; M1025-Y1028 HydrophobicContact SD-CG 4.2Å
1029	E	45	Very low	56.7	Low	118 Å²	118	103.8 Å²	103.8	55%	0.551	55%	0.553	S	S	*	*	S	Bend	trans	-67.3	153.7	176.8	-63.8	-171.2	159.4	0	0	111.7	M1025	M1025-E1029 PolarHBondContact O-N 3.12Å
1030	S	44.4	Very low	54.8	Low	51 Å²	51	105.8 Å²	105.8	36%	0.357	56%	0.561	S	S	.	*			trans	-78.3	128.8	178.1	-179.3	0	0	0	0	110.3	Y1032 E1033	S1030-Y1032 PolarHBondContact O-N 2.9Å; S1030-Y1032 PolarHBondContact OG-N 2.92Å; S1030-E1033 PolarHBondContact O-N 2.89Å
1031	P	46.4	Very low	52.7	Low	115 Å²	115	111 Å²	111	75%	0.747	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-0.9	171.6	30.5	-36.1	0	0	0	113.2
1032	Y	43.8	Very low	50.4	Low	173 Å²	173	114.8 Å²	114.8	68%	0.678	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-1.1	174.6	-50.5	-72.6	0	0	0	113.3	S1030	S1030-Y1032 PolarHBondContact O-N 2.9Å; S1030-Y1032 PolarHBondContact OG-N 2.92Å
1033	E	40.9	Very low	48.4	Very low	139 Å²	139	120.6 Å²	120.6	65%	0.65	64%	0.636	S	S	*	*	S	Bend	trans	-83.3	113.8	166.2	-78.4	175.5	144.9	0	0	108.4	S1030 K1035	S1030-E1033 PolarHBondContact O-N 2.89Å; E1033-K1035 PolarHBondContact O-N 3.19Å
1034	E	37.2	Very low	46.4	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	67%	0.672	S	S	*	*			trans	-57.4	123.4	169.9	-71.2	-172.1	141.6	0	0	108.9	R1036	E1034-R1036 PolarHBondContact O-N 3.12Å
1035	K	38.7	Very low	44.3	Very low	185 Å²	185	130.3 Å²	130.3	80%	0.804	68%	0.679	S	S	*	*			trans	-56.6	105.1	169.6	-74.2	-164.7	173.9	-166.6	0	108.2	E1033 A1037	E1033-K1035 PolarHBondContact O-N 3.19Å; K1035-A1037 PolarHBondContact O-N 3.42Å
1036	R	36.3	Very low	42.9	Very low	236 Å²	236	135.4 Å²	135.4	89%	0.891	71%	0.707	S	S	*	*			trans	-53.8	113.4	171.1	-80.2	-174.3	170.5	-170.4	-2.2	107.7	E1034 S1038	E1034-R1036 PolarHBondContact O-N 3.12Å; R1036-S1038 VanDerWaalsContact C-N 3.29Å; R1036-S1038 PolarHBondContact O-N 3.3Å
1037	A	36.8	Very low	42.3	Very low	101 Å²	101	133.7 Å²	133.7	84%	0.835	71%	0.705	S	S	*	*			trans	-67.7	89	178.1	0	0	0	0	0	109.5	K1035 S1039	K1035-A1037 PolarHBondContact O-N 3.42Å; A1037-S1039 PolarHBondContact O-N 2.88Å
1038	S	35.9	Very low	41	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	73%	0.729	S	S	*	*			trans	-74.8	101.3	168.1	56.2	0	0	0	0	108.8	R1036	R1036-S1038 VanDerWaalsContact C-N 3.29Å; R1036-S1038 PolarHBondContact O-N 3.3Å
1039	S	33.5	Very low	39.9	Very low	189 Å²	189	146.2 Å²	146.2	100%	1.322	77%	0.773	S	S	*	*			trans	-60.3	0	160.6	58.2	0	0	0	0	111.8	A1037	A1037-S1039 PolarHBondContact O-N 2.88Å

Retrieved 1,039 of 1,039 residues in 352.4 ms (Link to these results)

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