A0A077ZDI3_TRITR Loading...

Cullin 4B

AlphaFold DB , UniProt , Accession A0A077ZDI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,055 aa.

						>A0A077ZDI3_TRITR|A0A077ZDI3
MPVTMREDQCIDGRDENGHFASGTSELGSYNTEESDTAVRRKRKFDPSNLSNQLDCVGIVATQYPCQMAKPGSEGVEVRRFVGAVPCVPLFLPVNNLTEFEWDRDQYLKEYWNNLKAALDAIYEQRPVARSIEYLFQTVNDICAIRNQTESLFRDLSEECRLHATKLLESLTQNENDTLTWLTNLNNIWCLFCRNMSMIRCIFLPLDRKLPKCGTIWHMGLKTFENVILLNRAVKERLVDGLLWLVKCERSGEQSNKVLVKSLFHMLSTVSVYSSLFEKRFLRTTEAYYEAEGRRLINEVDVPAFMNYVSETLQGEKERANFYVGSEAGSLVIGAAQRGLIGHHLSAMLEKGLNDMLDHFRIDQLHLLYKLCRHAPTGHETLCNAVCSYLTRMGKQLACNKEDEDGIIPELLNFKDKCDRIMGQSFENNELFLNSFRRGFEEVIISCPHKPAELIARFIDSKLRSGRVVMPEEDLDQLMDKVLVLFRFVPGKDMFEAFYQKYLAKRLLQSKSASFDAEKALLSKLKQECGSDFTAKLEAMFKDMHLSKELNSSFKQWLQSSKRKDRASIDMSVNVLTTGSWPSYPSSTVTLPADMQSYVERFQKFYADKHGGRVLSWQYSIGTCVVLANFGYKNEKELLVSTYQAIVLLLFNSRNELTFEEIRASTAIEDEELRRTLQSLACGKFRVILKHPMSKDVADTDKFTFNSKFQNKMRRIKINQIQTKETEKDKEHTYEQVRQGRVYQVDASTVRIMKMKKKLSHNALIAELSAQLRFQAKPNELKERIESMIEQALLLVFVSTYYFYVTFGALNDFPLSFMGNKSTKNHLENAQKTGVCQLSGCKLKKVPAQLLSCGTSLRSLNLRCNRLAELPSFISYFENLKHLTLDYNRLTFLPNEIGLLPKLEQLSVSNNMISALPETIGELKRLKLLNLSANCFTEFPTALFQMTQIDVIDLSCNKITCIPDGIETLGAVELNLNQNQLSSISESIASCNRLKVLRVEENCLAADDFWRKILSDSQISLLAVEGNLFDMRQFRELDGYQQYMERFTATKKKLV
					

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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	27.5	Very low	31.2	Very low	240 Å²	240	147.6 Å²	147.6	100%	1.182	76%	0.764	S	S	*	*				0	142.9	0	-91.9	-174	173.4	0	0	108.1
2	P	41.7	Very low	30.8	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	77%	0.766	S	S	*	*				-119.7	170.6	-84.9	12.8	10.1	0	0	0	112.1
3	V	34.8	Very low	30.7	Very low	133 Å²	133	141.2 Å²	141.2	81%	0.806	76%	0.757	S	S	*	*				-171.6	164.7	76.2	153.5	0	0	0	0	109
4	T	34.3	Very low	30.5	Very low	93 Å²	93	146.6 Å²	146.6	57%	0.571	76%	0.762	S	S	*	*				167.5	150.8	-62.8	60.2	0	0	0	0	109.1
5	M	32.1	Very low	30.3	Very low	139 Å²	139	145.1 Å²	145.1	69%	0.685	76%	0.756	S	S	*	*			trans	84.3	139.3	178.1	-51	-66.8	-178.2	0	0	115.1
6	R	30.5	Very low	30	Very low	200 Å²	200	146.4 Å²	146.4	76%	0.755	76%	0.757	S	S	*	*			cis	-156.4	143.4	-7	-99	158.6	-173.9	-169.3	-2.7	106.4
7	E	27.1	Very low	30.1	Very low	163 Å²	163	147.6 Å²	147.6	76%	0.762	77%	0.765	S	S	*	*				74.7	115.1	52.4	-75.4	-174.2	150.1	0	0	116
8	D	29.1	Very low	29.8	Very low	134 Å²	134	142.7 Å²	142.7	72%	0.717	76%	0.756	S	S	*	*			trans	157.4	145.5	130.7	-81.9	-19.9	0	0	0	112
9	Q	28.9	Very low	29.8	Very low	153 Å²	153	145.6 Å²	145.6	72%	0.715	77%	0.765	S	S	*	*			cis	-170.2	173.6	-27.5	-125	-177.6	71.3	0	0	110.9
10	C	28.2	Very low	29.6	Very low	103 Å²	103	148.4 Å²	148.4	70%	0.696	77%	0.77	S	S	*	*			trans	79.6	116	168.8	-54.5	0	0	0	0	119.1
11	I	29.1	Very low	29.5	Very low	153 Å²	153	146.3 Å²	146.3	79%	0.785	78%	0.775	S	S	*	*			cis	73	123.4	40.4	-52.6	167.3	0	0	0	111.8
12	D	26.7	Very low	29.5	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	76%	0.757	S	S	*	*			cis	-139.1	-171.9	2.8	-147.8	31.8	0	0	0	109.6
13	G	29	Very low	28.7	Very low	63 Å²	63	137.9 Å²	137.9	65%	0.649	75%	0.752	S	S	*	*			cis	175	-138.9	8.6	0	0	0	0	0	116
14	R	28	Very low	28.3	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	76%	0.757	S	S	*	*			trans	-69.4	166.8	-177.8	-71.5	-179.9	-148.7	-178.9	5.7	115.8
15	D	26.8	Very low	28	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	77%	0.769	S	S	*	*			cis	-163.4	172.8	-5.5	-106	-28.7	0	0	0	109.1
16	E	26.1	Very low	27.7	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	78%	0.78	S	S	*	*			trans	53.5	111.4	154.3	-71.2	175.9	-163.5	0	0	121.6
17	N	31.5	Very low	27.5	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	79%	0.789	S	S	*	*				-177.5	133.8	114.3	-98.4	-63.6	0	0	0	110.3
18	G	24.4	Very low	27.5	Very low	59 Å²	59	137.2 Å²	137.2	61%	0.608	79%	0.788	S	S	*	*			trans	-118.1	153.8	169.2	0	0	0	0	0	110.4
19	H	30.5	Very low	27.5	Very low	198 Å²	198	134.9 Å²	134.9	92%	0.917	78%	0.783	S	S	*	*			trans	-155.7	153.2	155.4	-112.3	50	0	0	0	112.3
20	F	25.1	Very low	27.4	Very low	200 Å²	200	137.3 Å²	137.3	88%	0.877	79%	0.787	S	S	*	*			trans	-64	146.5	173.7	-82	-120.2	0	0	0	111.8
21	A	28.9	Very low	27.3	Very low	106 Å²	106	140.1 Å²	140.1	88%	0.876	80%	0.795	S	S	*	*			trans	-161.2	117.9	133.1	0	0	0	0	0	111.5
22	S	26.2	Very low	27.1	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	79%	0.793	S	S	*	*			trans	-97.4	139.5	161.1	54.8	0	0	0	0	109.8
23	G	25	Very low	27.1	Very low	62 Å²	62	141 Å²	141	64%	0.639	80%	0.799	S	S	*	*			trans	101.1	107.2	141.3	0	0	0	0	0	118.8
24	T	27.2	Very low	26.8	Very low	147 Å²	147	146.7 Å²	146.7	90%	0.902	81%	0.809	S	S	*	*				66.3	126	126.9	63.2	0	0	0	0	121.5
25	S	27.9	Very low	26.9	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	81%	0.813	S	S	*	*			trans	-149.5	96.7	141.2	63.4	0	0	0	0	112
26	E	25.5	Very low	26.7	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	82%	0.819	S	S	*	*			trans	-134.1	115	146.5	-81.3	-163.2	157	0	0	107.5
27	L	27.2	Very low	26.8	Very low	180 Å²	180	141.5 Å²	141.5	94%	0.942	82%	0.818	S	S	*	*			trans	-144.7	120.1	174.8	-100.6	171.7	0	0	0	109
28	G	27.2	Very low	26.4	Very low	73 Å²	73	138 Å²	138	75%	0.753	81%	0.812	S	S	*	*			trans	-137.6	21	-176.6	0	0	0	0	0	114.6
29	S	27.5	Very low	26.6	Very low	86 Å²	86	140.6 Å²	140.6	60%	0.601	82%	0.816	S	S	*	*			trans	54.2	130.7	139.4	76.6	0	0	0	0	123.4
30	Y	26.3	Very low	26.2	Very low	203 Å²	203	143.6 Å²	143.6	80%	0.796	82%	0.819	S	S	*	*			trans	71.3	113.3	152.1	-59	-63.8	0	0	0	121.4
31	N	27.8	Very low	26.4	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	82%	0.819	S	S	*	*				-159	153.1	96.4	-99.4	-18.5	0	0	0	112.3
32	T	23.9	Very low	26.1	Very low	122 Å²	122	149.8 Å²	149.8	75%	0.748	82%	0.82	S	S	*	*			trans	-108.2	141.6	-179	46.1	0	0	0	0	111.1
33	E	27.2	Very low	26.1	Very low	196 Å²	196	156.2 Å²	156.2	92%	0.916	83%	0.826	S	S	*	*			trans	-160.9	167.5	146.6	-120.6	168.2	-146.1	0	0	112
34	E	23.4	Very low	26	Very low	184 Å²	184	162.9 Å²	162.9	86%	0.86	84%	0.838	S	S	*	*			trans	-92.9	153.8	-157.1	-54.6	167	129.3	0	0	113.4
35	S	28.7	Very low	25.9	Very low	127 Å²	127	165.7 Å²	165.7	89%	0.888	84%	0.838	S	S	*	*				-174.3	138.4	126.5	30.7	0	0	0	0	115.5
36	D	23.4	Very low	25.9	Very low	150 Å²	150	166.6 Å²	166.6	80%	0.802	83%	0.833	S	S	*	*			trans	-55.1	173.7	-178.6	-122.5	-39.6	0	0	0	120.8
37	T	28.2	Very low	25.8	Very low	122 Å²	122	163.4 Å²	163.4	75%	0.748	83%	0.829	S	S	*	*			trans	88.8	113.4	156.7	69.5	0	0	0	0	122.5
38	A	23.9	Very low	25.6	Very low	94 Å²	94	159.5 Å²	159.5	78%	0.777	82%	0.817	S	S	*	*			trans	53.7	140.9	134.8	0	0	0	0	0	120.3
39	V	28.7	Very low	25.5	Very low	113 Å²	113	163.2 Å²	163.2	69%	0.685	82%	0.82	S	S	*	*			cis	-154.1	123.3	44.3	168	0	0	0	0	110.4	R41	V39-R41 HydrophobicContact CG1-CB 4.33Å; V39-R41 HydrophobicContact CG1-CG 3.82Å; V39-R41 PolarHBondContact O-N 3.19Å
40	R	22.1	Very low	25.3	Very low	261 Å²	261	167.3 Å²	167.3	99%	0.985	83%	0.834	S	S	*	*			trans	-91.6	95.3	166.7	-121.6	179.6	-178.8	177.9	0.8	110
41	R	27.6	Very low	25.4	Very low	231 Å²	231	163.3 Å²	163.3	87%	0.872	84%	0.836	S	S	*	*			trans	-88.2	124.5	174	-99.7	177.8	177.8	171.6	0.6	111.5	V39	V39-R41 HydrophobicContact CG1-CB 4.33Å; V39-R41 HydrophobicContact CG1-CG 3.82Å; V39-R41 PolarHBondContact O-N 3.19Å
42	K	22.3	Very low	25.2	Very low	205 Å²	205	163 Å²	163	89%	0.891	83%	0.834	S	S	*	*			trans	-58.9	136.2	166.9	-63.9	170.3	176.1	174.4	0	110.4
43	R	26.7	Very low	25.3	Very low	249 Å²	249	165.3 Å²	165.3	94%	0.94	84%	0.837	S	S	*	*			trans	-134.9	138	142.4	-83.3	-162.8	173.2	-174.8	-1.1	110.1
44	K	23	Very low	25.3	Very low	202 Å²	202	163.4 Å²	163.4	88%	0.878	83%	0.832	S	S	*	*			trans	-71.2	154.5	172.4	-61.3	170.7	171.6	-177.3	0	109.4
45	F	25.2	Very low	25.3	Very low	206 Å²	206	160.4 Å²	160.4	90%	0.904	82%	0.822	S	S	*	*			trans	-139.7	151.9	149	-122.1	-86.8	0	0	0	109.2
46	D	27.4	Very low	25.2	Very low	137 Å²	137	160.3 Å²	160.3	73%	0.733	82%	0.819	S	S	*	*			trans	-73.9	152.5	-163.9	-76.2	-65.4	0	0	0	115.6
47	P	24.1	Very low	25.2	Very low	127 Å²	127	160.7 Å²	160.7	83%	0.825	83%	0.827	S	S	*	*			trans	-92.3	96.8	168.9	35.4	-28.9	0	0	0	111.1
48	S	22.9	Very low	25.1	Very low	98 Å²	98	158 Å²	158	69%	0.685	82%	0.824	S	S	*	*			trans	-153	136.9	165.1	61.2	0	0	0	0	111.7
49	N	24.3	Very low	25.3	Very low	152 Å²	152	161.2 Å²	161.2	81%	0.813	83%	0.826	S	S	*	*			trans	67	94	178.2	-61.5	-23.6	0	0	0	117
50	L	24.7	Very low	25.1	Very low	171 Å²	171	161.3 Å²	161.3	90%	0.895	83%	0.826	S	S	*	*				171.6	102.6	110.9	-98.1	143	0	0	0	112
51	S	27.5	Very low	25.3	Very low	120 Å²	120	153.8 Å²	153.8	84%	0.839	82%	0.82	S	S	*	*			trans	179.6	80.6	143.8	29.8	0	0	0	0	110.5
52	N	24.6	Very low	25.3	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	81%	0.81	S	S	*	*			trans	-85.1	157.7	148.9	-91.3	-19.4	0	0	0	108.2
53	Q	25.4	Very low	25.5	Very low	172 Å²	172	146.1 Å²	146.1	80%	0.804	81%	0.805	S	S	*	*			trans	68.1	117.9	168.8	-67.2	172.1	-16	0	0	114.7
54	L	26.4	Very low	25.6	Very low	155 Å²	155	144 Å²	144	81%	0.812	80%	0.798	S	S	*	*			cis	-145.4	125.4	38.7	-84.9	118.3	0	0	0	114.3
55	D	24.8	Very low	26.1	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	79%	0.788	S	S	*	*				46.2	125.1	115.1	-59.6	-49.6	0	0	0	122.8
56	C	25.3	Very low	26.1	Very low	124 Å²	124	135.3 Å²	135.3	84%	0.838	79%	0.785	S	S	*	*			trans	68.7	84.4	133	-63.3	0	0	0	0	119.2
57	V	23.5	Very low	25.9	Very low	159 Å²	159	137.4 Å²	137.4	96%	0.964	79%	0.79	S	S	*	*			trans	-97.7	134.1	145.4	173.9	0	0	0	0	109.7
58	G	25.9	Very low	26.1	Very low	66 Å²	66	140.3 Å²	140.3	68%	0.68	80%	0.795	S	S	*	*			trans	171.7	129	167.7	0	0	0	0	0	108.4
59	I	28.1	Very low	26.3	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	80%	0.799	S	S	*	*			cis	-143	123.9	30.4	-84.8	171.5	0	0	0	111.5
60	V	25.8	Very low	26.7	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	80%	0.803	S	S	*	*			trans	58.1	112.7	131.2	-173.4	0	0	0	0	121.4	T62	V60-T62 HydrophobicContact CG1-CG2 4.4Å
61	A	26.3	Very low	27	Very low	103 Å²	103	140.8 Å²	140.8	85%	0.851	80%	0.801	S	S	*	*				-144.2	147.8	114.4	0	0	0	0	0	108.6
62	T	26.4	Very low	27	Very low	107 Å²	107	138 Å²	138	66%	0.656	79%	0.792	S	S	*	*			trans	-138	171.2	-157.2	47.9	0	0	0	0	114.4	V60	V60-T62 HydrophobicContact CG1-CG2 4.4Å
63	Q	27.9	Very low	27.2	Very low	168 Å²	168	136.3 Å²	136.3	79%	0.785	79%	0.792	S	S	*	*			trans	86.3	140.1	163.3	-50.6	-164.9	-9.1	0	0	117.2
64	Y	27.1	Very low	27.3	Very low	206 Å²	206	138 Å²	138	81%	0.808	80%	0.8	S	S	*	*			cis	-163.7	-173.3	-24.7	-118.5	-42.4	0	0	0	109.9
65	P	34.3	Very low	27.3	Very low	100 Å²	100	134.1 Å²	134.1	65%	0.649	80%	0.797	S	S	*	*			trans	-126.7	177.9	-130.7	46.2	-31.2	0	0	0	118
66	C	25.8	Very low	27.5	Very low	125 Å²	125	135.3 Å²	135.3	85%	0.845	81%	0.808	S	S	*	*			trans	-149.9	111.8	147.2	-88.9	0	0	0	0	107.7
67	Q	23.2	Very low	27.6	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	81%	0.807	S	S	*	*				48.6	102.9	80.9	-73.2	-162.2	2.4	0	0	116.4
68	M	28.4	Very low	27.8	Very low	188 Å²	188	136.9 Å²	136.9	93%	0.926	80%	0.802	S	S	*	*			trans	-168.8	109.1	131.1	-75.3	-139.9	177.5	0	0	106.6
69	A	26.4	Very low	27.9	Very low	95 Å²	95	144 Å²	144	79%	0.785	81%	0.808	S	S	*	*				70.5	111.3	69.4	0	0	0	0	0	114
70	K	33.7	Very low	28	Very low	205 Å²	205	147.8 Å²	147.8	89%	0.891	81%	0.813	S	S	*	*			trans	-70.4	160.1	160.1	-70	-179.6	176	179.3	0	109.3
71	P	31.2	Very low	28.1	Very low	131 Å²	131	151.7 Å²	151.7	85%	0.851	82%	0.821	S	S	*	*				-139.3	169.3	116.6	34	-20.1	0	0	0	113.5
72	G	26.6	Very low	28.2	Very low	63 Å²	63	153.8 Å²	153.8	65%	0.649	82%	0.823	S	S	*	*			trans	-115.7	154.6	168.9	0	0	0	0	0	111.4
73	S	27.9	Very low	28.4	Very low	119 Å²	119	152.2 Å²	152.2	83%	0.832	83%	0.828	S	S	*	*			trans	42	112.7	155	60.9	0	0	0	0	120
74	E	28.8	Very low	28.5	Very low	208 Å²	208	149.1 Å²	149.1	97%	0.972	83%	0.831	S	S	*	*				-152	157	110.3	-107.2	170.6	-160.3	0	0	108
75	G	26.8	Very low	28.9	Very low	72 Å²	72	145.3 Å²	145.3	74%	0.742	83%	0.828	S	S	*	*			trans	-145.1	170.3	-167.8	0	0	0	0	0	114.6
76	V	28.9	Very low	29	Very low	147 Å²	147	146.1 Å²	146.1	89%	0.891	83%	0.834	S	S	*	*			trans	-146.6	137.7	169.5	177.4	0	0	0	0	109.4
77	E	27.1	Very low	29.4	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	83%	0.834	S	S	*	*			trans	-76.4	146.7	174.2	-57.7	176.9	104	0	0	113
78	V	28.1	Very low	30.1	Very low	142 Å²	142	143.5 Å²	143.5	86%	0.861	83%	0.83	S	S	*	*			trans	-146.1	133.9	141.6	-173.2	0	0	0	0	110.8
79	R	26.5	Very low	30.7	Very low	214 Å²	214	139.1 Å²	139.1	81%	0.808	82%	0.815	S	S	*	*			trans	-74.4	147.5	175.1	-57.7	170.6	176.8	178.4	-3.3	112.9
80	R	30.1	Very low	31.2	Very low	242 Å²	242	141.6 Å²	141.6	91%	0.913	82%	0.815	S	S	*	*			trans	-139.7	112.6	147.3	-74.7	-171.6	171.7	170.9	-2.9	108.7
81	F	29.3	Very low	31.8	Very low	196 Å²	196	140.8 Å²	140.8	86%	0.86	81%	0.812	S	S	*	*				73.1	121.8	75.9	-97.8	-80.9	0	0	0	114.9
82	V	28	Very low	32.6	Very low	147 Å²	147	140.9 Å²	140.9	89%	0.891	80%	0.804	S	S	*	*	S	Bend	trans	-86.3	142.1	173.4	175.5	0	0	0	0	109.4
83	G	29.6	Very low	33.7	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	80%	0.803	S	S	*	*			trans	113.4	87.7	159.8	0	0	0	0	0	116.1
84	A	30.8	Very low	34.9	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	79%	0.791	S	S	*	*			trans	-150.1	137.2	154	0	0	0	0	0	110.5
85	V	35.4	Very low	35.7	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	78%	0.779	S	S	*	*			trans	-45.6	145.9	-178.7	-178.6	0	0	0	0	113.4	C87	V85-C87 PolarHBondContact O-N 2.93Å
86	P	37.4	Very low	36.9	Very low	118 Å²	118	142 Å²	142	77%	0.766	78%	0.784	S	S	*	*			trans	-60.4	113.4	172.5	26	-35.5	0	0	0	111	V88	P86-V88 PolarHBondContact O-N 3.16Å; P86-V88 VanDerWaalsContact O-N 3.17Å
87	C	33.4	Very low	37.8	Very low	125 Å²	125	141.1 Å²	141.1	85%	0.845	77%	0.774	S	S	*	*			trans	-65.9	113.9	167	-68.2	0	0	0	0	109	V85	V85-C87 PolarHBondContact O-N 2.93Å
88	V	36.8	Very low	38.9	Very low	125 Å²	125	138.6 Å²	138.6	76%	0.758	77%	0.771	S	S	*	*			trans	-51.8	136.7	163.3	-179.2	0	0	0	0	108	P86 L90	P86-V88 PolarHBondContact O-N 3.16Å; P86-V88 VanDerWaalsContact O-N 3.17Å; V88-L90 PolarHBondContact O-N 3.09Å
89	P	41.8	Very low	39.8	Very low	95 Å²	95	140.7 Å²	140.7	62%	0.617	77%	0.771	S	S	*	*			trans	-58.9	117.6	174.7	-19	30.5	0	0	0	108.8	F91	P89-F91 HydrophobicContact CB-CD2 4.22Å; P89-F91 HydrophobicContact CB-CE2 4.27Å; P89-F91 PolarHBondContact O-N 3.18Å
90	L	36.7	Very low	40.9	Very low	147 Å²	147	139 Å²	139	77%	0.77	77%	0.77	S	S	*	*			trans	-72.8	84.9	172.5	-154.8	87.4	0	0	0	107.6	V88 L92	V88-L90 PolarHBondContact O-N 3.09Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 HydrophobicContact CD2-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CG 4.11Å; L90-L92 PolarHBondContact O-N 3.17Å
91	F	46.1	Very low	41.8	Very low	189 Å²	189	136.5 Å²	136.5	83%	0.829	77%	0.768	S	S	*	*			trans	-61.5	98.9	164.2	-87.4	-89.6	0	0	0	107.2	P89 P93	P89-F91 HydrophobicContact CB-CD2 4.22Å; P89-F91 HydrophobicContact CB-CE2 4.27Å; P89-F91 PolarHBondContact O-N 3.18Å; F91-P93 WeakPolarHBondContact O-CD 3.42Å
92	L	48.6	Very low	43.1	Very low	133 Å²	133	132.4 Å²	132.4	70%	0.696	75%	0.747	S	S	*	*			trans	-78	106.1	163.9	-72.9	168.9	0	0	0	106.9	L90 V94	L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 HydrophobicContact CD2-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CG 4.11Å; L90-L92 PolarHBondContact O-N 3.17Å; L92-V94 PolarHBondContact O-N 2.66Å; L92-V94 VanDerWaalsContact O-N 3.13Å
93	P	49.2	Very low	45	Very low	97 Å²	97	129.4 Å²	129.4	63%	0.63	73%	0.726	S	S	*	*			trans	-65.4	115.4	165.5	29.4	-33.1	0	0	0	107.1	F91 N95	F91-P93 WeakPolarHBondContact O-CD 3.42Å; P93-N95 PolarHBondContact O-N 2.86Å
94	V	54.3	Low	46.9	Very low	96 Å²	96	132 Å²	132	58%	0.582	71%	0.713	S	S	*	*			trans	-73.9	82.2	167.4	-176.6	0	0	0	0	106.7	L92 N96 L97	L92-V94 PolarHBondContact O-N 2.66Å; L92-V94 VanDerWaalsContact O-N 3.13Å; V94-N96 PolarHBondContact O-N 3.42Å; V94-L97 HydrophobicContact CB-CD1 3.93Å; V94-L97 HydrophobicContact CB-CG 3.98Å; V94-L97 HydrophobicContact CG1-CD1 4.38Å; V94-L97 HydrophobicContact CG1-CG 3.89Å; V94-L97 PolarHBondContact O-N 3.01Å
95	N	45.2	Very low	49	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	128.4	171.1	-67.9	-20.3	0	0	0	107.7	P93	P93-N95 PolarHBondContact O-N 2.86Å
96	N	52.2	Low	51.1	Low	159 Å²	159	132.6 Å²	132.6	85%	0.85	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.2	32.3	-167.1	-50.6	-19.4	0	0	0	115.8	V94 T98	V94-N96 PolarHBondContact O-N 3.42Å; N96-T98 VanDerWaalsContact C-N 3.27Å; N96-T98 PolarHBondContact O-N 2.87Å
97	L	47.3	Very low	52.9	Low	128 Å²	128	130.2 Å²	130.2	67%	0.67	67%	0.67	S	S	*	*			trans	-62.3	97.7	144	-99.4	168.1	0	0	0	108	V94 E99	V94-L97 HydrophobicContact CB-CD1 3.93Å; V94-L97 HydrophobicContact CB-CG 3.98Å; V94-L97 HydrophobicContact CG1-CD1 4.38Å; V94-L97 HydrophobicContact CG1-CG 3.89Å; V94-L97 PolarHBondContact O-N 3.01Å; L97-E99 PolarHBondContact O-N 2.84Å; L97-E99 VanDerWaalsContact O-N 3.13Å
98	T	50.5	Low	55.2	Low	123 Å²	123	125.4 Å²	125.4	76%	0.755	64%	0.636	S	S	*	*			trans	-63.3	109.8	157.5	48.4	0	0	0	0	106.8	N96 F100	N96-T98 VanDerWaalsContact C-N 3.27Å; N96-T98 PolarHBondContact O-N 2.87Å; T98-F100 PolarHBondContact O-N 2.97Å
99	E	46.1	Very low	57.4	Low	186 Å²	186	126.2 Å²	126.2	87%	0.869	63%	0.629	S	S	*	*			trans	-64.1	84.8	162	-71.1	-174.9	149	0	0	107.5	L97 E101	L97-E99 PolarHBondContact O-N 2.84Å; L97-E99 VanDerWaalsContact O-N 3.13Å; E99-E101 PolarHBondContact O-N 3.05Å
100	F	50	Low	59.4	Low	178 Å²	178	127 Å²	127	78%	0.781	62%	0.624	S	S	*	*			trans	-62.6	115	159.3	-168.7	-89.2	0	0	0	105.2	T98 W102	T98-F100 PolarHBondContact O-N 2.97Å; F100-W102 HydrophobicContact CD1-CB 4.41Å; F100-W102 PolarHBondContact O-N 3.01Å
101	E	48.3	Very low	61.7	Low	189 Å²	189	122.1 Å²	122.1	88%	0.883	60%	0.596	S	S	*	*			trans	-63.9	80.4	174.4	-73.8	-173.5	139.1	0	0	109	E99 D103	E99-E101 PolarHBondContact O-N 3.05Å; E101-D103 PolarHBondContact O-N 3.1Å
102	W	56.8	Low	63.7	Low	110 Å²	110	115.3 Å²	115.3	42%	0.417	57%	0.565	S	S	.	*			trans	-74.8	96	173.2	178.8	60.9	0	0	0	107.4	F100 R104 Y107 I145	F100-W102 HydrophobicContact CD1-CB 4.41Å; F100-W102 PolarHBondContact O-N 3.01Å; W102-R104 VanDerWaalsContact C-N 3.26Å; W102-R104 HydrophobicContact CE3-CB 4.11Å; W102-R104 HydrophobicContact CH2-CB 4.39Å; W102-R104 HydrophobicContact CH2-CG 4.06Å; W102-R104 HydrophobicContact CZ3-CB 4Å; W102-R104 HydrophobicContact CZ3-CG 3.95Å; W102-R104 PolarHBondContact O-N 3.42Å; W102-Y107 AromaticContact CE2-CD2 3.82Å; W102-Y107 AromaticContact CE2-CG 3.71Å; W102-Y107 AromaticContact CZ2-CD1 3.51Å; W102-Y107 HydrophobicContact CZ2-CD1 3.51Å; W102-Y107 AromaticContact CZ2-CD2 3.97Å; W102-Y107 HydrophobicContact CZ2-CD2 3.97Å; W102-Y107 AromaticContact CZ2-CE1 3.87Å; W102-Y107 HydrophobicContact CZ2-CE1 3.87Å; W102-Y107 HydrophobicContact CZ2-CE2 4.25Å; W102-Y107 AromaticContact CZ2-CG 3.55Å; W102-Y107 HydrophobicContact CZ2-CG 3.55Å; W102-Y107 AromaticContact NE1-CD2 3.08Å; W102-Y107 AromaticContact NE1-CE2 3.69Å; W102-Y107 AromaticContact NE1-CG 3.36Å; W102-I145 HydrophobicContact CH2-CD1 4.24Å
103	D	69.5	Low	65.5	Low	84 Å²	84	113.2 Å²	113.2	45%	0.449	55%	0.554	S	S	.	*			trans	-61.2	94.6	167.6	-175.8	-13.5	0	0	0	108.6	E101 D105 Q106 Y107	E101-D103 PolarHBondContact O-N 3.1Å; D103-D105 PolarHBondContact O-N 3.24Å; D103-D105 WeakPolarHBondContact OD1-CA 3.27Å; D103-D105 WeakPolarHBondContact OD1-CB 2.97Å; D103-D105 PolarHBondContact OD1-N 3.41Å; D103-Q106 HydrophobicContact CB-CB 3.83Å; D103-Q106 VanDerWaalsContact CG-CB 3.45Å; D103-Q106 PolarHBondContact O-N 3.24Å; D103-Q106 PolarHBondContact OD1-N 2.92Å; D103-Q106 WeakPolarHBondContact OD2-CB 3.35Å; D103-Y107 WeakPolarHBondContact O-CB 3.32Å; D103-Y107 PolarHBondContact O-N 2.74Å
104	R	69.4	Low	67.3	Low	129 Å²	129	110.1 Å²	110.1	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-58.5	-33.9	178.3	179.3	-178.8	-66.4	175.6	1.9	111.1	W102 L108	W102-R104 VanDerWaalsContact C-N 3.26Å; W102-R104 HydrophobicContact CE3-CB 4.11Å; W102-R104 HydrophobicContact CH2-CB 4.39Å; W102-R104 HydrophobicContact CH2-CG 4.06Å; W102-R104 HydrophobicContact CZ3-CB 4Å; W102-R104 HydrophobicContact CZ3-CG 3.95Å; W102-R104 PolarHBondContact O-N 3.42Å; R104-L108 HydrophobicContact CG-CD1 3.91Å; R104-L108 HydrophobicContact CG-CG 4.36Å; R104-L108 VanDerWaalsContact O-CB 3.31Å; R104-L108 WeakPolarHBondContact O-CB 3.34Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.02Å
105	D	74.7	Confident	69	Low	114 Å²	114	105.6 Å²	105.6	61%	0.61	51%	0.505	S	S	*	.	H	α-helix	trans	-78.2	-38.8	-176.9	-66	-18.7	0	0	0	110.3	D103 K109	D103-D105 PolarHBondContact O-N 3.24Å; D103-D105 WeakPolarHBondContact OD1-CA 3.27Å; D103-D105 WeakPolarHBondContact OD1-CB 2.97Å; D103-D105 PolarHBondContact OD1-N 3.41Å; D105-K109 WeakPolarHBondContact O-CB 3.3Å; D105-K109 PolarHBondContact O-N 2.7Å
106	Q	79.1	Confident	71.2	Confident	126 Å²	126	102.3 Å²	102.3	59%	0.589	48%	0.484	S	S	*	.	H	α-helix	trans	-60.3	-45.5	168.8	-175.3	176.8	6.1	0	0	111.5	D103 K109 E110	D103-Q106 HydrophobicContact CB-CB 3.83Å; D103-Q106 VanDerWaalsContact CG-CB 3.45Å; D103-Q106 PolarHBondContact O-N 3.24Å; D103-Q106 PolarHBondContact OD1-N 2.92Å; D103-Q106 WeakPolarHBondContact OD2-CB 3.35Å; Q106-K109 PolarHBondContact O-N 3.06Å; Q106-E110 PolarHBondContact O-N 2.74Å
107	Y	75.5	Confident	73	Confident	69 Å²	69	97.6 Å²	97.6	27%	0.271	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-51.9	177.8	-172.9	-84.6	0	0	0	111.6	W102 D103 K109 E110 Y111	W102-Y107 AromaticContact CE2-CD2 3.82Å; W102-Y107 AromaticContact CE2-CG 3.71Å; W102-Y107 AromaticContact CZ2-CD1 3.51Å; W102-Y107 HydrophobicContact CZ2-CD1 3.51Å; W102-Y107 AromaticContact CZ2-CD2 3.97Å; W102-Y107 HydrophobicContact CZ2-CD2 3.97Å; W102-Y107 AromaticContact CZ2-CE1 3.87Å; W102-Y107 HydrophobicContact CZ2-CE1 3.87Å; W102-Y107 HydrophobicContact CZ2-CE2 4.25Å; W102-Y107 AromaticContact CZ2-CG 3.55Å; W102-Y107 HydrophobicContact CZ2-CG 3.55Å; W102-Y107 AromaticContact NE1-CD2 3.08Å; W102-Y107 AromaticContact NE1-CE2 3.69Å; W102-Y107 AromaticContact NE1-CG 3.36Å; D103-Y107 WeakPolarHBondContact O-CB 3.32Å; D103-Y107 PolarHBondContact O-N 2.74Å; Y107-K109 PolarHBondContact O-N 2.86Å; Y107-E110 PolarHBondContact O-N 2.85Å; Y107-E110 VanDerWaalsContact O-N 3.14Å; Y107-Y111 AromaticContact CD1-CD2 3.64Å; Y107-Y111 HydrophobicContact CD1-CD2 3.64Å; Y107-Y111 AromaticContact CD1-CE2 3.85Å; Y107-Y111 HydrophobicContact CD1-CE2 3.85Å; Y107-Y111 HydrophobicContact CD2-CD2 4.29Å; Y107-Y111 AromaticContact CD2-CE2 3.8Å; Y107-Y111 HydrophobicContact CD2-CE2 3.8Å; Y107-Y111 AromaticContact CE1-CD2 3.47Å; Y107-Y111 HydrophobicContact CE1-CD2 3.47Å; Y107-Y111 VanDerWaalsContact CE1-CD2 3.47Å; Y107-Y111 AromaticContact CE1-CE2 3.38Å; Y107-Y111 HydrophobicContact CE1-CE2 3.38Å; Y107-Y111 HydrophobicContact CE1-CG 4.42Å; Y107-Y111 HydrophobicContact CE2-CD2 4.18Å; Y107-Y111 AromaticContact CE2-CE2 3.38Å; Y107-Y111 HydrophobicContact CE2-CE2 3.38Å; Y107-Y111 HydrophobicContact CG-CD2 4.07Å; Y107-Y111 HydrophobicContact CG-CE2 4.06Å; Y107-Y111 AromaticContact CZ-CD2 3.78Å; Y107-Y111 AromaticContact CZ-CE2 3.14Å; Y107-Y111 AromaticContact CZ-CZ 3.74Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.3Å; Y107-Y111 PolarHBondContact O-N 2.81Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.32Å; Y107-Y111 PolarHBondContact OH-OH 3.31Å
108	L	81	Confident	75.1	Confident	24 Å²	24	91.8 Å²	91.8	13%	0.126	44%	0.438	C	S	.	.	H	α-helix	trans	-56.5	-40.5	177	-76	170.3	0	0	0	111.6	R104 W112 I142 I145 Q148	R104-L108 HydrophobicContact CG-CD1 3.91Å; R104-L108 HydrophobicContact CG-CG 4.36Å; R104-L108 VanDerWaalsContact O-CB 3.31Å; R104-L108 WeakPolarHBondContact O-CB 3.34Å; R104-L108 WeakPolarHBondContact O-CG 3.45Å; R104-L108 PolarHBondContact O-N 3.02Å; L108-W112 VanDerWaalsContact O-CB 3.28Å; L108-W112 WeakPolarHBondContact O-CB 3.42Å; L108-W112 PolarHBondContact O-N 3.11Å; L108-I142 HydrophobicContact CD2-CG1 4.34Å; L108-I142 HydrophobicContact CD2-CG2 4.07Å; L108-I145 HydrophobicContact CD2-CD1 3.91Å; L108-Q148 HydrophobicContact CD1-CG 4.1Å; L108-Q148 HydrophobicContact CD2-CG 4.34Å
109	K	82.9	Confident	77.2	Confident	142 Å²	142	86 Å²	86	62%	0.617	40%	0.402	S	S	*	.	H	α-helix	trans	-66	-40.1	177	-171.7	175.4	-175.5	177.2	0	112.7	D105 Q106 Y107 N113	D105-K109 WeakPolarHBondContact O-CB 3.3Å; D105-K109 PolarHBondContact O-N 2.7Å; Q106-K109 PolarHBondContact O-N 3.06Å; Y107-K109 PolarHBondContact O-N 2.86Å; K109-N113 WeakPolarHBondContact O-CB 3.35Å; K109-N113 PolarHBondContact O-N 3.12Å; K109-N113 PolarHBondContact O-ND2 3.41Å
110	E	84.6	Confident	79.4	Confident	110 Å²	110	79.3 Å²	79.3	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-46.4	176.5	-171.4	-177.8	165.5	0	0	111.9	Q106 Y107 N113 N114	Q106-E110 PolarHBondContact O-N 2.74Å; Y107-E110 PolarHBondContact O-N 2.85Å; Y107-E110 VanDerWaalsContact O-N 3.14Å; E110-N113 WeakPolarHBondContact O-CB 3.34Å; E110-N113 PolarHBondContact O-N 2.83Å; E110-N114 PolarHBondContact O-N 3.45Å; E110-N114 PolarHBondContact O-ND2 3.13Å
111	Y	83.9	Confident	81.3	Confident	46 Å²	46	71 Å²	71	18%	0.18	34%	0.337	C	S	.	.	H	α-helix	trans	-69.9	-34.8	178.1	-77.5	-86.6	0	0	0	112.4	Y107 N114 L115 Y134 T138	Y107-Y111 AromaticContact CD1-CD2 3.64Å; Y107-Y111 HydrophobicContact CD1-CD2 3.64Å; Y107-Y111 AromaticContact CD1-CE2 3.85Å; Y107-Y111 HydrophobicContact CD1-CE2 3.85Å; Y107-Y111 HydrophobicContact CD2-CD2 4.29Å; Y107-Y111 AromaticContact CD2-CE2 3.8Å; Y107-Y111 HydrophobicContact CD2-CE2 3.8Å; Y107-Y111 AromaticContact CE1-CD2 3.47Å; Y107-Y111 HydrophobicContact CE1-CD2 3.47Å; Y107-Y111 VanDerWaalsContact CE1-CD2 3.47Å; Y107-Y111 AromaticContact CE1-CE2 3.38Å; Y107-Y111 HydrophobicContact CE1-CE2 3.38Å; Y107-Y111 HydrophobicContact CE1-CG 4.42Å; Y107-Y111 HydrophobicContact CE2-CD2 4.18Å; Y107-Y111 AromaticContact CE2-CE2 3.38Å; Y107-Y111 HydrophobicContact CE2-CE2 3.38Å; Y107-Y111 HydrophobicContact CG-CD2 4.07Å; Y107-Y111 HydrophobicContact CG-CE2 4.06Å; Y107-Y111 AromaticContact CZ-CD2 3.78Å; Y107-Y111 AromaticContact CZ-CE2 3.14Å; Y107-Y111 AromaticContact CZ-CZ 3.74Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.3Å; Y107-Y111 PolarHBondContact O-N 2.81Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.32Å; Y107-Y111 PolarHBondContact OH-OH 3.31Å; Y111-N114 PolarHBondContact O-N 3.12Å; Y111-L115 WeakPolarHBondContact O-CG 3.27Å; Y111-L115 PolarHBondContact O-N 3.02Å; Y111-Y134 WeakPolarHBondContact CE1-OH 3.38Å; Y111-T138 HydrophobicContact CD1-CG2 3.44Å; Y111-T138 VanDerWaalsContact CD1-CG2 3.44Å; Y111-T138 HydrophobicContact CE1-CG2 4.39Å; Y111-T138 HydrophobicContact CG-CG2 4.08Å
112	W	87.9	Confident	83.4	Confident	46 Å²	46	62.2 Å²	62.2	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-42	169.9	-178.7	-113.3	0	0	0	112.1	L108 N114 L115 K116 L152 D155 E159	L108-W112 VanDerWaalsContact O-CB 3.28Å; L108-W112 WeakPolarHBondContact O-CB 3.42Å; L108-W112 PolarHBondContact O-N 3.11Å; W112-N114 VanDerWaalsContact C-N 3.32Å; W112-N114 PolarHBondContact O-N 2.98Å; W112-L115 HydrophobicContact CE3-CB 4.31Å; W112-L115 HydrophobicContact CE3-CD1 4.21Å; W112-L115 PolarHBondContact O-N 3.48Å; W112-K116 WeakPolarHBondContact O-CB 3.47Å; W112-K116 PolarHBondContact O-N 3.33Å; W112-L152 HydrophobicContact CE3-CD1 3.61Å; W112-L152 HydrophobicContact CZ3-CD1 3.6Å; W112-D155 VanDerWaalsContact CH2-C 3.48Å; W112-D155 HydrophobicContact CH2-CB 3.81Å; W112-D155 HydrophobicContact CZ2-CB 3.75Å; W112-D155 HydrophobicContact CZ3-CB 4.31Å; W112-E159 HydrophobicContact CH2-CG 4.26Å; W112-E159 HydrophobicContact CZ2-CG 3.76Å
113	N	87.4	Confident	85.1	Confident	89 Å²	89	57.9 Å²	57.9	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-40	174.8	-70.7	-23.4	0	0	0	112.1	K109 E110 K116 A117	K109-N113 WeakPolarHBondContact O-CB 3.35Å; K109-N113 PolarHBondContact O-N 3.12Å; K109-N113 PolarHBondContact O-ND2 3.41Å; E110-N113 WeakPolarHBondContact O-CB 3.34Å; E110-N113 PolarHBondContact O-N 2.83Å; N113-K116 PolarHBondContact O-N 3.1Å; N113-A117 WeakPolarHBondContact O-CB 3.34Å; N113-A117 PolarHBondContact O-N 3.37Å
114	N	86.8	Confident	86	Confident	32 Å²	32	59.3 Å²	59.3	17%	0.171	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-41.6	174.5	-76.9	-67.7	0	0	0	112.2	E110 Y111 W112 A118	E110-N114 PolarHBondContact O-N 3.45Å; E110-N114 PolarHBondContact O-ND2 3.13Å; Y111-N114 PolarHBondContact O-N 3.12Å; W112-N114 VanDerWaalsContact C-N 3.32Å; W112-N114 PolarHBondContact O-N 2.98Å; N114-A118 PolarHBondContact O-N 2.87Å
115	L	90.7	Very high	87	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-44.2	175	-70.1	173.1	0	0	0	111.6	Y111 W112 A118 L119 L135 T138 V139 I142 L152 I202 F203	Y111-L115 WeakPolarHBondContact O-CG 3.27Å; Y111-L115 PolarHBondContact O-N 3.02Å; W112-L115 HydrophobicContact CE3-CB 4.31Å; W112-L115 HydrophobicContact CE3-CD1 4.21Å; W112-L115 PolarHBondContact O-N 3.48Å; L115-A118 WeakPolarHBondContact O-CB 3.43Å; L115-A118 PolarHBondContact O-N 3.23Å; L115-A118 VanDerWaalsContact O-N 3.12Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 2.99Å; L115-L135 HydrophobicContact CD2-CB 4.32Å; L115-L135 HydrophobicContact CD2-CD2 4.13Å; L115-T138 HydrophobicContact CD1-CG2 4.02Å; L115-T138 HydrophobicContact CD2-CG2 4.03Å; L115-T138 HydrophobicContact CG-CG2 3.93Å; L115-V139 HydrophobicContact CD1-CG2 3.95Å; L115-V139 HydrophobicContact CD2-CG2 3.67Å; L115-V139 HydrophobicContact CG-CG2 4.5Å; L115-I142 HydrophobicContact CD1-CD1 3.79Å; L115-L152 HydrophobicContact CD1-CD1 4.08Å; L115-I202 HydrophobicContact CD2-CG2 4.3Å; L115-F203 HydrophobicContact CB-CZ 4.22Å; L115-F203 HydrophobicContact CD1-CE1 4.13Å; L115-F203 HydrophobicContact CD1-CZ 4.14Å; L115-F203 HydrophobicContact CD2-CZ 4.09Å; L115-F203 HydrophobicContact CG-CZ 4.39Å
116	K	91.2	Very high	87.7	Confident	64 Å²	64	57.3 Å²	57.3	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-45.2	177	179.7	163.9	-178.3	151.7	0	112	W112 N113 A118 L119 D120 E159	W112-K116 WeakPolarHBondContact O-CB 3.47Å; W112-K116 PolarHBondContact O-N 3.33Å; N113-K116 PolarHBondContact O-N 3.1Å; K116-A118 PolarHBondContact O-N 3.39Å; K116-L119 WeakPolarHBondContact O-CA 3.46Å; K116-L119 WeakPolarHBondContact O-CB 3.35Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-D120 PolarHBondContact O-N 3.49Å; K116-E159 WeakPolarHBondContact CE-OE1 3.46Å; K116-E159 WeakPolarHBondContact CE-OE2 3.46Å; K116-E159 IonicContact NZ-OE1 2.86Å; K116-E159 PolarHBondContact NZ-OE1 2.94Å; K116-E159 IonicContact NZ-OE2 3.25Å; K116-E159 PolarHBondContact NZ-OE2 2.88Å
117	A	90.2	Very high	87.9	Confident	60 Å²	60	57.2 Å²	57.2	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-31.2	174.8	0	0	0	0	0	112.8	N113 A121	N113-A117 WeakPolarHBondContact O-CB 3.34Å; N113-A117 PolarHBondContact O-N 3.37Å; A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 3.08Å; A117-A121 VanDerWaalsContact O-N 3.14Å
118	A	91.7	Very high	88.4	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-73.2	-39.2	172	0	0	0	0	0	112.7	N114 L115 K116 A121 I122 V128 L135	N114-A118 PolarHBondContact O-N 2.87Å; L115-A118 WeakPolarHBondContact O-CB 3.43Å; L115-A118 PolarHBondContact O-N 3.23Å; L115-A118 VanDerWaalsContact O-N 3.12Å; K116-A118 PolarHBondContact O-N 3.39Å; A118-A121 PolarHBondContact O-N 3.45Å; A118-I122 VanDerWaalsContact O-CG1 3.26Å; A118-I122 WeakPolarHBondContact O-CG1 3.44Å; A118-I122 PolarHBondContact O-N 3.26Å; A118-V128 HydrophobicContact CB-CG1 3.62Å; A118-L135 HydrophobicContact CB-CD1 3.55Å; A118-L135 HydrophobicContact CB-CD2 4.17Å
119	L	93.4	Very high	88.4	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-48.5	172.8	-66.8	176.3	0	0	0	111.3	L115 K116 A121 I122 Y123 L156 E159 I199 F203	L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 2.99Å; K116-L119 WeakPolarHBondContact O-CA 3.46Å; K116-L119 WeakPolarHBondContact O-CB 3.35Å; K116-L119 PolarHBondContact O-N 3.47Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.16Å; L119-I122 WeakPolarHBondContact O-CB 3.5Å; L119-I122 PolarHBondContact O-N 2.75Å; L119-I122 VanDerWaalsContact O-N 3.12Å; L119-Y123 HydrophobicContact CB-CD2 4.44Å; L119-Y123 HydrophobicContact CB-CE2 3.88Å; L119-Y123 WeakPolarHBondContact O-CD2 3.2Å; L119-Y123 PolarHBondContact O-N 3.31Å; L119-L156 HydrophobicContact CD1-CD1 3.8Å; L119-L156 HydrophobicContact CD2-CD1 3.99Å; L119-E159 HydrophobicContact CD1-CB 4.14Å; L119-E159 HydrophobicContact CD1-CG 4.4Å; L119-I199 HydrophobicContact CD2-CD1 3.9Å; L119-I199 HydrophobicContact CD2-CG1 3.68Å; L119-I199 HydrophobicContact CD2-CG2 4.17Å; L119-F203 HydrophobicContact CD2-CE2 3.98Å; L119-F203 HydrophobicContact CG-CE2 4.49Å
120	D	91.5	Very high	88.4	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-41.5	177.3	-71.9	-36.3	0	0	0	111.7	K116 Y123 E124	K116-D120 PolarHBondContact O-N 3.49Å; D120-Y123 PolarHBondContact O-N 3.2Å; D120-E124 WeakPolarHBondContact O-CB 3.4Å; D120-E124 WeakPolarHBondContact O-CG 3.37Å; D120-E124 PolarHBondContact O-N 3.15Å
121	A	91.4	Very high	88.5	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-42.7	173.8	0	0	0	0	0	112.5	A117 A118 L119 Q125 R126 V128	A117-A121 WeakPolarHBondContact O-CB 3.41Å; A117-A121 PolarHBondContact O-N 3.08Å; A117-A121 VanDerWaalsContact O-N 3.14Å; A118-A121 PolarHBondContact O-N 3.45Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.16Å; A121-Q125 PolarHBondContact O-N 2.88Å; A121-Q125 VanDerWaalsContact O-N 3.1Å; A121-R126 HydrophobicContact CB-CB 4.4Å; A121-R126 PolarHBondContact O-N 3.35Å; A121-V128 HydrophobicContact CB-CG2 4.22Å
122	I	91.9	Very high	88.6	Confident	4 Å²	4	59 Å²	59	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-46.8	174.4	-70	165.6	0	0	0	110.6	A118 L119 E124 Q125 V128 N195 M198 I199 I202	A118-I122 VanDerWaalsContact O-CG1 3.26Å; A118-I122 WeakPolarHBondContact O-CG1 3.44Å; A118-I122 PolarHBondContact O-N 3.26Å; L119-I122 WeakPolarHBondContact O-CB 3.5Å; L119-I122 PolarHBondContact O-N 2.75Å; L119-I122 VanDerWaalsContact O-N 3.12Å; I122-E124 PolarHBondContact O-N 3.46Å; I122-Q125 PolarHBondContact O-N 3.32Å; I122-Q125 PolarHBondContact O-NE2 3.38Å; I122-V128 HydrophobicContact CG1-CG2 4.03Å; I122-N195 HydrophobicContact CG2-CB 3.76Å; I122-N195 PolarHBondContact O-OD1 2.85Å; I122-M198 HydrophobicContact CD1-CE 4.06Å; I122-M198 HydrophobicContact CD1-CG 3.96Å; I122-M198 HydrophobicContact CD1-SD 4.25Å; I122-M198 HydrophobicContact CG1-CE 3.66Å; I122-M198 HydrophobicContact CG1-CG 4.23Å; I122-M198 HydrophobicContact CG1-SD 3.85Å; I122-M198 HydrophobicContact CG2-SD 4.49Å; I122-I199 HydrophobicContact CD1-CG1 4.13Å; I122-I199 HydrophobicContact CG2-CG1 4.38Å; I122-I202 HydrophobicContact CD1-CD1 3.69Å
123	Y	91.8	Very high	88.6	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.071	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-46	-179.6	-64.1	-34.2	0	0	0	112.1	L119 D120 Q125 C160 H163 I199	L119-Y123 HydrophobicContact CB-CD2 4.44Å; L119-Y123 HydrophobicContact CB-CE2 3.88Å; L119-Y123 WeakPolarHBondContact O-CD2 3.2Å; L119-Y123 PolarHBondContact O-N 3.31Å; D120-Y123 PolarHBondContact O-N 3.2Å; Y123-Q125 PolarHBondContact O-N 2.61Å; Y123-Q125 PolarHBondContact O-NE2 3.36Å; Y123-C160 PolarHBondContact OH-SG 2.98Å; Y123-C160 VanDerWaalsContact OH-SG 3.38Å; Y123-H163 HydrophobicContact CD1-CB 4.2Å; Y123-H163 AromaticContact CD1-CD2 3.25Å; Y123-H163 WeakPolarHBondContact CD1-CD2 3.2Å; Y123-H163 AromaticContact CD1-CE1 3.81Å; Y123-H163 AromaticContact CD1-CG 3.52Å; Y123-H163 AromaticContact CD1-ND1 3.85Å; Y123-H163 AromaticContact CD1-NE2 3.46Å; Y123-H163 WeakPolarHBondContact CD1-NE2 3.43Å; Y123-H163 HydrophobicContact CD2-CB 4.02Å; Y123-H163 AromaticContact CD2-CG 3.94Å; Y123-H163 HydrophobicContact CE1-CB 4.04Å; Y123-H163 AromaticContact CE1-CD2 3.51Å; Y123-H163 AromaticContact CE1-CG 3.78Å; Y123-H163 HydrophobicContact CE2-CB 3.86Å; Y123-H163 HydrophobicContact CG-CB 4.2Å; Y123-H163 AromaticContact CG-CD2 3.83Å; Y123-H163 AromaticContact CG-CE1 3.77Å; Y123-H163 AromaticContact CG-CG 3.61Å; Y123-H163 AromaticContact CG-ND1 3.58Å; Y123-H163 AromaticContact CG-NE2 3.92Å; Y123-I199 HydrophobicContact CE1-CD1 3.74Å
124	E	89.3	Confident	88.7	Confident	114 Å²	114	62.6 Å²	62.6	53%	0.533	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.1	179.2	-67.3	178	-133.4	0	0	114.4	D120 I122 R126	D120-E124 WeakPolarHBondContact O-CB 3.4Å; D120-E124 WeakPolarHBondContact O-CG 3.37Å; D120-E124 PolarHBondContact O-N 3.15Å; I122-E124 PolarHBondContact O-N 3.46Å; E124-R126 HydrophobicContact CB-CG 4.13Å; E124-R126 PolarHBondContact O-N 3.26Å; E124-R126 IonicContact OE1-NH2 3.08Å; E124-R126 PolarHBondContact OE1-NH2 3.31Å; E124-R126 IonicContact OE2-CZ 2.68Å; E124-R126 IonicContact OE2-NE 2.84Å; E124-R126 PolarHBondContact OE2-NE 2.74Å; E124-R126 IonicContact OE2-NH2 3.12Å; E124-R126 PolarHBondContact OE2-NH2 3.24Å
125	Q	89.4	Confident	88.8	Confident	79 Å²	79	61.1 Å²	61.1	37%	0.369	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	29.8	-177	-49.1	-56.9	-59.5	0	0	113.9	A121 I122 Y123 L191 N195	A121-Q125 PolarHBondContact O-N 2.88Å; A121-Q125 VanDerWaalsContact O-N 3.1Å; I122-Q125 PolarHBondContact O-N 3.32Å; I122-Q125 PolarHBondContact O-NE2 3.38Å; Y123-Q125 PolarHBondContact O-N 2.61Å; Y123-Q125 PolarHBondContact O-NE2 3.36Å; Q125-L191 VanDerWaalsContact CD-CD1 3.44Å; Q125-L191 HydrophobicContact CG-CD1 4.09Å; Q125-N195 PolarHBondContact NE2-ND2 3.22Å; Q125-N195 PolarHBondContact NE2-OD1 2.72Å
126	R	90.2	Very high	88.8	Confident	122 Å²	122	63.4 Å²	63.4	46%	0.46	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-93.4	151	175.7	-66.2	-168.6	-78.8	108.3	-6.2	110.9	A121 E124 V128	A121-R126 HydrophobicContact CB-CB 4.4Å; A121-R126 PolarHBondContact O-N 3.35Å; E124-R126 HydrophobicContact CB-CG 4.13Å; E124-R126 PolarHBondContact O-N 3.26Å; E124-R126 IonicContact OE1-NH2 3.08Å; E124-R126 PolarHBondContact OE1-NH2 3.31Å; E124-R126 IonicContact OE2-CZ 2.68Å; E124-R126 IonicContact OE2-NE 2.84Å; E124-R126 PolarHBondContact OE2-NE 2.74Å; E124-R126 IonicContact OE2-NH2 3.12Å; E124-R126 PolarHBondContact OE2-NH2 3.24Å; R126-V128 PolarHBondContact O-N 3.47Å
127	P	84.1	Confident	88.7	Confident	125 Å²	125	64 Å²	64	81%	0.812	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-58.4	135.4	172.4	-23.1	34	0	0	0	111.7
128	V	85	Confident	88.6	Confident	32 Å²	32	61.3 Å²	61.3	19%	0.194	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-75.1	127	177.1	-176.6	0	0	0	0	109.4	A118 A121 I122 R126 R130 L135 M198	A118-V128 HydrophobicContact CB-CG1 3.62Å; A121-V128 HydrophobicContact CB-CG2 4.22Å; I122-V128 HydrophobicContact CG1-CG2 4.03Å; R126-V128 PolarHBondContact O-N 3.47Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 WeakPolarHBondContact CG1-O 3.32Å; V128-R130 PolarHBondContact O-N 2.96Å; V128-L135 HydrophobicContact CG1-CD1 3.6Å; V128-M198 HydrophobicContact CG2-CE 3.67Å
129	A	81.2	Confident	88.5	Confident	105 Å²	105	61.1 Å²	61.1	87%	0.868	31%	0.314	S	S	*	.	S	Bend	trans	-72.3	-17.9	-171.7	0	0	0	0	0	114.9
130	R	82.7	Confident	88.3	Confident	132 Å²	132	63.6 Å²	63.6	50%	0.498	33%	0.328	S	S	.	.	S	Bend	trans	-111.6	153.1	173.6	-61.4	-64.8	-170.2	169.3	3.5	109.3	V128 Y134 L135	V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 WeakPolarHBondContact CG1-O 3.32Å; V128-R130 PolarHBondContact O-N 2.96Å; R130-Y134 HydrophobicContact CB-CD1 3.9Å; R130-Y134 HydrophobicContact CG-CD1 4.08Å; R130-Y134 HydrophobicContact CG-CE1 4.27Å; R130-L135 HydrophobicContact CB-CD1 4.4Å; R130-L135 HydrophobicContact CB-CD2 4.16Å; R130-L135 HydrophobicContact CB-CG 4.14Å
131	S	87.5	Confident	88.1	Confident	75 Å²	75	64.5 Å²	64.5	52%	0.524	33%	0.332	S	S	.	.			trans	-64.7	148.8	175.7	62.9	0	0	0	0	111.2	E133 Y134 L135	S131-E133 PolarHBondContact O-N 3.45Å; S131-Y134 PolarHBondContact O-N 3.15Å; S131-Y134 VanDerWaalsContact O-N 3.14Å; S131-Y134 WeakPolarHBondContact OG-CB 3.4Å; S131-Y134 PolarHBondContact OG-N 2.82Å; S131-L135 PolarHBondContact O-N 3.4Å
132	I	85.4	Confident	87.8	Confident	85 Å²	85	64.6 Å²	64.6	44%	0.436	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-37	176.2	-65	173	0	0	0	110.4	L135 F136 I202	I132-L135 PolarHBondContact O-N 2.82Å; I132-F136 WeakPolarHBondContact O-CB 3.5Å; I132-F136 PolarHBondContact O-N 2.88Å; I132-I202 HydrophobicContact CG2-CG1 4.09Å
133	E	87.3	Confident	87.4	Confident	133 Å²	133	64.7 Å²	64.7	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-44.2	175.8	-169.2	63.4	-163	0	0	112.7	S131 L135 F136 Q137	S131-E133 PolarHBondContact O-N 3.45Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.19Å; E133-F136 PolarHBondContact O-N 3.46Å; E133-Q137 WeakPolarHBondContact O-CB 3.19Å; E133-Q137 PolarHBondContact O-N 2.94Å
134	Y	89.7	Confident	87.1	Confident	77 Å²	77	67.5 Å²	67.5	30%	0.302	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-40.7	176.7	175.6	-90	0	0	0	111.7	Y111 R130 S131 T138	Y111-Y134 WeakPolarHBondContact CE1-OH 3.38Å; R130-Y134 HydrophobicContact CB-CD1 3.9Å; R130-Y134 HydrophobicContact CG-CD1 4.08Å; R130-Y134 HydrophobicContact CG-CE1 4.27Å; S131-Y134 PolarHBondContact O-N 3.15Å; S131-Y134 VanDerWaalsContact O-N 3.14Å; S131-Y134 WeakPolarHBondContact OG-CB 3.4Å; S131-Y134 PolarHBondContact OG-N 2.82Å; Y134-T138 VanDerWaalsContact O-CB 3.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.4Å; Y134-T138 PolarHBondContact O-N 3.29Å; Y134-T138 PolarHBondContact O-OG1 3.38Å
135	L	89.9	Confident	86.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-36.6	178.8	-61.5	168.2	0	0	0	111.7	L115 A118 V128 R130 S131 I132 E133 T138 V139 I202	L115-L135 HydrophobicContact CD2-CB 4.32Å; L115-L135 HydrophobicContact CD2-CD2 4.13Å; A118-L135 HydrophobicContact CB-CD1 3.55Å; A118-L135 HydrophobicContact CB-CD2 4.17Å; V128-L135 HydrophobicContact CG1-CD1 3.6Å; R130-L135 HydrophobicContact CB-CD1 4.4Å; R130-L135 HydrophobicContact CB-CD2 4.16Å; R130-L135 HydrophobicContact CB-CG 4.14Å; S131-L135 PolarHBondContact O-N 3.4Å; I132-L135 PolarHBondContact O-N 2.82Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.19Å; L135-T138 WeakPolarHBondContact O-CB 3.25Å; L135-T138 PolarHBondContact O-N 2.91Å; L135-V139 WeakPolarHBondContact O-CG2 3.36Å; L135-V139 PolarHBondContact O-N 3.37Å; L135-I202 HydrophobicContact CB-CG2 3.67Å; L135-I202 HydrophobicContact CD1-CD1 4.18Å
136	F	90.9	Very high	85.9	Confident	50 Å²	50	70.6 Å²	70.6	22%	0.219	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-48	171.9	173.2	-83.9	0	0	0	111.3	I132 E133 T138 V139 N140 L204 P205	I132-F136 WeakPolarHBondContact O-CB 3.5Å; I132-F136 PolarHBondContact O-N 2.88Å; E133-F136 PolarHBondContact O-N 3.46Å; F136-T138 VanDerWaalsContact C-N 3.35Å; F136-T138 PolarHBondContact O-N 3.44Å; F136-V139 PolarHBondContact O-N 3.38Å; F136-N140 WeakPolarHBondContact O-CB 3.44Å; F136-N140 PolarHBondContact O-N 3.49Å; F136-L204 HydrophobicContact CD2-CB 4.3Å; F136-L204 HydrophobicContact CE2-CB 3.95Å; F136-L204 HydrophobicContact CE2-CD2 4.24Å; F136-L204 HydrophobicContact CE2-CG 4.35Å; F136-P205 HydrophobicContact CD1-CG 4.39Å; F136-P205 HydrophobicContact CD2-CG 3.79Å; F136-P205 HydrophobicContact CE1-CG 4.17Å; F136-P205 HydrophobicContact CE2-CG 3.57Å; F136-P205 HydrophobicContact CG-CG 4.19Å; F136-P205 HydrophobicContact CZ-CG 3.77Å
137	Q	88.5	Confident	85.2	Confident	76 Å²	76	71.9 Å²	71.9	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.5	-173.2	59.4	35.1	0	0	111.1	E133 V139 N140 D141	E133-Q137 WeakPolarHBondContact O-CB 3.19Å; E133-Q137 PolarHBondContact O-N 2.94Å; Q137-V139 PolarHBondContact O-N 3.44Å; Q137-N140 WeakPolarHBondContact O-CB 3.32Å; Q137-N140 PolarHBondContact O-N 3.33Å; Q137-N140 VanDerWaalsContact O-N 3.08Å; Q137-D141 PolarHBondContact NE2-OD1 2.8Å; Q137-D141 VanDerWaalsContact O-CG 3.22Å; Q137-D141 PolarHBondContact O-N 3.08Å
138	T	88	Confident	85.2	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-51.7	-50.9	171.1	-68.3	0	0	0	0	111.9	Y111 L115 Y134 L135 F136 N140 D141 I142	Y111-T138 HydrophobicContact CD1-CG2 3.44Å; Y111-T138 VanDerWaalsContact CD1-CG2 3.44Å; Y111-T138 HydrophobicContact CE1-CG2 4.39Å; Y111-T138 HydrophobicContact CG-CG2 4.08Å; L115-T138 HydrophobicContact CD1-CG2 4.02Å; L115-T138 HydrophobicContact CD2-CG2 4.03Å; L115-T138 HydrophobicContact CG-CG2 3.93Å; Y134-T138 VanDerWaalsContact O-CB 3.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.4Å; Y134-T138 PolarHBondContact O-N 3.29Å; Y134-T138 PolarHBondContact O-OG1 3.38Å; L135-T138 WeakPolarHBondContact O-CB 3.25Å; L135-T138 PolarHBondContact O-N 2.91Å; F136-T138 VanDerWaalsContact C-N 3.35Å; F136-T138 PolarHBondContact O-N 3.44Å; T138-N140 VanDerWaalsContact C-N 3.33Å; T138-N140 PolarHBondContact O-N 3.45Å; T138-D141 PolarHBondContact O-N 2.8Å; T138-I142 HydrophobicContact CG2-CD1 3.9Å; T138-I142 VanDerWaalsContact O-CG1 3.32Å; T138-I142 WeakPolarHBondContact O-CG1 3.25Å; T138-I142 PolarHBondContact O-N 2.9Å
139	V	89.9	Confident	85.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.8	172.7	0	0	0	0	111.1	L115 L135 F136 Q137 C143 L152 I202 F203 P205 L206	L115-V139 HydrophobicContact CD1-CG2 3.95Å; L115-V139 HydrophobicContact CD2-CG2 3.67Å; L115-V139 HydrophobicContact CG-CG2 4.5Å; L135-V139 WeakPolarHBondContact O-CG2 3.36Å; L135-V139 PolarHBondContact O-N 3.37Å; F136-V139 PolarHBondContact O-N 3.38Å; Q137-V139 PolarHBondContact O-N 3.44Å; V139-C143 VanDerWaalsContact O-CB 3.23Å; V139-C143 WeakPolarHBondContact O-CB 3.29Å; V139-C143 PolarHBondContact O-N 2.93Å; V139-C143 PolarHBondContact O-SG 2.78Å; V139-L152 HydrophobicContact CG1-CD2 3.96Å; V139-I202 HydrophobicContact CG2-CG2 4.36Å; V139-F203 HydrophobicContact CB-CD1 4.48Å; V139-F203 HydrophobicContact CG1-CD1 3.98Å; V139-F203 HydrophobicContact CG2-CD1 3.59Å; V139-F203 HydrophobicContact CG2-CE1 3.72Å; V139-F203 HydrophobicContact CG2-CG 4.06Å; V139-F203 HydrophobicContact CG2-CZ 4.27Å; V139-P205 HydrophobicContact CB-CG 4.42Å; V139-P205 HydrophobicContact CG1-CB 4.21Å; V139-P205 HydrophobicContact CG1-CG 4.2Å; V139-L206 HydrophobicContact CG1-CB 4.01Å
140	N	88.2	Confident	85.3	Confident	54 Å²	54	69.7 Å²	69.7	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178.4	-172.3	37.7	0	0	0	112.2	F136 Q137 T138 C143 A144 P205	F136-N140 WeakPolarHBondContact O-CB 3.44Å; F136-N140 PolarHBondContact O-N 3.49Å; Q137-N140 WeakPolarHBondContact O-CB 3.32Å; Q137-N140 PolarHBondContact O-N 3.33Å; Q137-N140 VanDerWaalsContact O-N 3.08Å; T138-N140 VanDerWaalsContact C-N 3.33Å; T138-N140 PolarHBondContact O-N 3.45Å; N140-C143 CarbonylContact O-C 3.16Å; N140-C143 PolarHBondContact O-N 3.4Å; N140-A144 PolarHBondContact O-N 2.94Å; N140-P205 HydrophobicContact CB-CB 3.98Å; N140-P205 HydrophobicContact CB-CG 3.88Å
141	D	87	Confident	85.4	Confident	65 Å²	65	64.6 Å²	64.6	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-46.4	179.1	-65.5	-24.3	0	0	0	111.5	Q137 T138 C143 A144	Q137-D141 PolarHBondContact NE2-OD1 2.8Å; Q137-D141 VanDerWaalsContact O-CG 3.22Å; Q137-D141 PolarHBondContact O-N 3.08Å; T138-D141 PolarHBondContact O-N 2.8Å; D141-C143 VanDerWaalsContact C-N 3.28Å; D141-C143 PolarHBondContact O-N 2.76Å; D141-A144 WeakPolarHBondContact O-CB 3.46Å; D141-A144 PolarHBondContact O-N 3.42Å
142	I	85.3	Confident	85.4	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-44.5	172.9	-64.1	163.8	0	0	0	110.1	L108 L115 T138 A144 I145 Q148 L152	L108-I142 HydrophobicContact CD2-CG1 4.34Å; L108-I142 HydrophobicContact CD2-CG2 4.07Å; L115-I142 HydrophobicContact CD1-CD1 3.79Å; T138-I142 HydrophobicContact CG2-CD1 3.9Å; T138-I142 VanDerWaalsContact O-CG1 3.32Å; T138-I142 WeakPolarHBondContact O-CG1 3.25Å; T138-I142 PolarHBondContact O-N 2.9Å; I142-A144 PolarHBondContact O-N 2.72Å; I142-I145 WeakPolarHBondContact O-CB 3.37Å; I142-I145 PolarHBondContact O-N 2.84Å; I142-I145 VanDerWaalsContact O-N 3.09Å; I142-Q148 HydrophobicContact CG2-CB 4.23Å; I142-L152 HydrophobicContact CB-CD2 4.28Å; I142-L152 HydrophobicContact CD1-CD1 4.39Å; I142-L152 HydrophobicContact CG2-CB 4.44Å; I142-L152 HydrophobicContact CG2-CD1 4.4Å; I142-L152 HydrophobicContact CG2-CD2 3.93Å; I142-L152 HydrophobicContact CG2-CG 4.5Å
143	C	85.1	Confident	85.6	Confident	6 Å²	6	58.8 Å²	58.8	4%	0.041	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.7	177.6	-68	0	0	0	0	114.2	V139 N140 D141 K209	V139-C143 VanDerWaalsContact O-CB 3.23Å; V139-C143 WeakPolarHBondContact O-CB 3.29Å; V139-C143 PolarHBondContact O-N 2.93Å; V139-C143 PolarHBondContact O-SG 2.78Å; N140-C143 CarbonylContact O-C 3.16Å; N140-C143 PolarHBondContact O-N 3.4Å; D141-C143 VanDerWaalsContact C-N 3.28Å; D141-C143 PolarHBondContact O-N 2.76Å; C143-K209 VanDerWaalsContact C-NZ 3.28Å; C143-K209 HydrophobicContact CB-CD 3.82Å; C143-K209 PolarHBondContact O-NZ 3.49Å
144	A	83.5	Confident	85.7	Confident	76 Å²	76	59.5 Å²	59.5	63%	0.628	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.9	170.9	0	0	0	0	0	112	N140 D141 I142	N140-A144 PolarHBondContact O-N 2.94Å; D141-A144 WeakPolarHBondContact O-CB 3.46Å; D141-A144 PolarHBondContact O-N 3.42Å; I142-A144 PolarHBondContact O-N 2.72Å
145	I	82.5	Confident	85.7	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.159	28%	0.284	C	S	.	.	S	Bend	trans	-75.7	130.1	177.6	-56.6	169.3	0	0	0	109.4	W102 L108 I142 N147 Q148	W102-I145 HydrophobicContact CH2-CD1 4.24Å; L108-I145 HydrophobicContact CD2-CD1 3.91Å; I142-I145 WeakPolarHBondContact O-CB 3.37Å; I142-I145 PolarHBondContact O-N 2.84Å; I142-I145 VanDerWaalsContact O-N 3.09Å; I145-N147 PolarHBondContact O-N 2.8Å; I145-Q148 HydrophobicContact CB-CB 4.19Å; I145-Q148 HydrophobicContact CB-CG 3.95Å; I145-Q148 HydrophobicContact CG2-CB 4.4Å; I145-Q148 HydrophobicContact CG2-CG 3.64Å; I145-Q148 PolarHBondContact O-N 3.49Å
146	R	71.6	Confident	85.8	Confident	227 Å²	227	58.1 Å²	58.1	86%	0.857	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	134.5	177.6	-99.3	-175.4	172.8	-177.7	-2	111.2	Q148	R146-Q148 PolarHBondContact O-N 2.69Å; R146-Q148 VanDerWaalsContact O-N 3.14Å
147	N	76.9	Confident	85.8	Confident	150 Å²	150	57 Å²	57	80%	0.802	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	3	176.3	-54.5	-2.1	0	0	0	116.6	I145	I145-N147 PolarHBondContact O-N 2.8Å
148	Q	82.9	Confident	86.1	Confident	49 Å²	49	57 Å²	57	23%	0.229	28%	0.283	C	S	.	.	H	α-helix	trans	-85.8	-22.6	-179.9	-69.9	-61.5	-21.1	0	0	114.3	L108 I142 I145 R146 E150 S151 L152	L108-Q148 HydrophobicContact CD1-CG 4.1Å; L108-Q148 HydrophobicContact CD2-CG 4.34Å; I142-Q148 HydrophobicContact CG2-CB 4.23Å; I145-Q148 HydrophobicContact CB-CB 4.19Å; I145-Q148 HydrophobicContact CB-CG 3.95Å; I145-Q148 HydrophobicContact CG2-CB 4.4Å; I145-Q148 HydrophobicContact CG2-CG 3.64Å; I145-Q148 PolarHBondContact O-N 3.49Å; R146-Q148 PolarHBondContact O-N 2.69Å; R146-Q148 VanDerWaalsContact O-N 3.14Å; Q148-E150 VanDerWaalsContact C-N 3.33Å; Q148-E150 PolarHBondContact O-N 2.82Å; Q148-S151 PolarHBondContact O-N 3.3Å; Q148-L152 PolarHBondContact O-N 3.49Å
149	T	83.9	Confident	86.3	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-42.3	-179	-44.5	0	0	0	0	113.2	F153 L206 K209 L210	T149-F153 PolarHBondContact O-N 2.95Å; T149-L206 HydrophobicContact CG2-CD1 3.54Å; T149-L206 WeakPolarHBondContact O-CD1 3.42Å; T149-K209 HydrophobicContact CG2-CB 4.08Å; T149-L210 HydrophobicContact CG2-CD1 4.09Å; T149-L210 HydrophobicContact CG2-CD2 3.98Å; T149-L210 HydrophobicContact CG2-CG 3.8Å
150	E	83.7	Confident	86.5	Confident	142 Å²	142	58.1 Å²	58.1	66%	0.664	29%	0.287	S	S	*	.	H	α-helix	trans	-73.9	-34.8	179.4	-67.8	-179.8	-178.9	0	0	112.3	Q148 F153 R154 L210	Q148-E150 VanDerWaalsContact C-N 3.33Å; Q148-E150 PolarHBondContact O-N 2.82Å; E150-F153 PolarHBondContact O-N 3.24Å; E150-R154 PolarHBondContact O-N 2.91Å; E150-R154 VanDerWaalsContact O-N 3.09Å; E150-L210 HydrophobicContact CG-CD2 4.22Å
151	S	85.8	Confident	86.8	Confident	26 Å²	26	60.3 Å²	60.3	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-53.7	172.2	-163.5	0	0	0	0	110	Q148 F153 R154 D155	Q148-S151 PolarHBondContact O-N 3.3Å; S151-F153 PolarHBondContact O-N 2.96Å; S151-F153 VanDerWaalsContact O-N 3.16Å; S151-R154 WeakPolarHBondContact O-CB 3.41Å; S151-R154 PolarHBondContact O-N 3.27Å; S151-R154 PolarHBondContact OG-NH2 3.48Å; S151-D155 VanDerWaalsContact C-OD2 3.3Å; S151-D155 WeakPolarHBondContact O-CB 3.4Å; S151-D155 PolarHBondContact O-N 3.08Å; S151-D155 PolarHBondContact OG-OD2 3.39Å
152	L	88.3	Confident	87.2	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-36.5	-178	-171.2	67.9	0	0	0	112.8	W112 L115 V139 I142 Q148 L156 F203 L206	W112-L152 HydrophobicContact CE3-CD1 3.61Å; W112-L152 HydrophobicContact CZ3-CD1 3.6Å; L115-L152 HydrophobicContact CD1-CD1 4.08Å; V139-L152 HydrophobicContact CG1-CD2 3.96Å; I142-L152 HydrophobicContact CB-CD2 4.28Å; I142-L152 HydrophobicContact CD1-CD1 4.39Å; I142-L152 HydrophobicContact CG2-CB 4.44Å; I142-L152 HydrophobicContact CG2-CD1 4.4Å; I142-L152 HydrophobicContact CG2-CD2 3.93Å; I142-L152 HydrophobicContact CG2-CG 4.5Å; Q148-L152 PolarHBondContact O-N 3.49Å; L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 PolarHBondContact O-N 3.1Å; L152-F203 HydrophobicContact CD1-CE1 4.31Å; L152-F203 HydrophobicContact CD2-CE1 4.38Å; L152-F203 HydrophobicContact CG-CE1 4.29Å; L152-L206 HydrophobicContact CD2-CD1 4.5Å; L152-L206 HydrophobicContact CD2-CD2 4.27Å; L152-L206 HydrophobicContact CG-CD2 4.23Å
153	F	89.3	Confident	87.6	Confident	31 Å²	31	61.1 Å²	61.1	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-42.1	175.1	-176.8	-93.2	0	0	0	113.2	T149 E150 S151 D155 S157 L206 L210 C213 M219	T149-F153 PolarHBondContact O-N 2.95Å; E150-F153 PolarHBondContact O-N 3.24Å; S151-F153 PolarHBondContact O-N 2.96Å; S151-F153 VanDerWaalsContact O-N 3.16Å; F153-D155 VanDerWaalsContact C-N 3.35Å; F153-S157 VanDerWaalsContact O-CB 3.32Å; F153-S157 WeakPolarHBondContact O-CB 3.33Å; F153-S157 PolarHBondContact O-N 3.08Å; F153-S157 PolarHBondContact O-OG 3.18Å; F153-L206 HydrophobicContact CB-CD1 4.29Å; F153-L206 HydrophobicContact CB-CD2 4.16Å; F153-L206 HydrophobicContact CD2-CD2 4.27Å; F153-L206 HydrophobicContact CD2-CG 4.49Å; F153-L210 HydrophobicContact CB-CD1 3.43Å; F153-L210 VanDerWaalsContact CB-CD1 3.43Å; F153-L210 HydrophobicContact CD2-CD1 3.83Å; F153-L210 HydrophobicContact CG-CD1 3.68Å; F153-C213 HydrophobicContact CD1-CB 4.46Å; F153-C213 HydrophobicContact CE1-CB 3.97Å; F153-C213 HydrophobicContact CZ-CB 4.01Å; F153-M219 HydrophobicContact CZ-CB 4.14Å; F153-M219 HydrophobicContact CZ-CG 4.11Å
154	R	88.1	Confident	88	Confident	147 Å²	147	60.9 Å²	60.9	56%	0.555	29%	0.293	S	S	*	.	H	α-helix	trans	-62.5	-44.7	174.7	-177.9	-169.7	64.3	-125.7	-13.1	110.8	E150 S151 S157 E158	E150-R154 PolarHBondContact O-N 2.91Å; E150-R154 VanDerWaalsContact O-N 3.09Å; S151-R154 WeakPolarHBondContact O-CB 3.41Å; S151-R154 PolarHBondContact O-N 3.27Å; S151-R154 PolarHBondContact OG-NH2 3.48Å; R154-S157 WeakPolarHBondContact O-CB 3.13Å; R154-S157 PolarHBondContact O-N 3.3Å; R154-E158 PolarHBondContact O-N 2.83Å
155	D	90.1	Very high	88.5	Confident	48 Å²	48	59.1 Å²	59.1	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-69.3	-38.6	-176.3	-52	-27.5	0	0	0	110.1	W112 S151 F153 E158 E159	W112-D155 VanDerWaalsContact CH2-C 3.48Å; W112-D155 HydrophobicContact CH2-CB 3.81Å; W112-D155 HydrophobicContact CZ2-CB 3.75Å; W112-D155 HydrophobicContact CZ3-CB 4.31Å; S151-D155 VanDerWaalsContact C-OD2 3.3Å; S151-D155 WeakPolarHBondContact O-CB 3.4Å; S151-D155 PolarHBondContact O-N 3.08Å; S151-D155 PolarHBondContact OG-OD2 3.39Å; F153-D155 VanDerWaalsContact C-N 3.35Å; D155-E158 PolarHBondContact O-N 3.11Å; D155-E159 WeakPolarHBondContact O-CG 3.43Å; D155-E159 PolarHBondContact O-N 2.96Å; D155-E159 VanDerWaalsContact O-N 3.15Å
156	L	92.5	Very high	89	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-44.7	168.8	176.4	63.3	0	0	0	112.6	L119 L152 E158 E159 C160 I199 F203 L206 I216	L119-L156 HydrophobicContact CD1-CD1 3.8Å; L119-L156 HydrophobicContact CD2-CD1 3.99Å; L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 PolarHBondContact O-N 3.1Å; L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 PolarHBondContact O-N 2.93Å; L156-E159 PolarHBondContact O-N 3.19Å; L156-C160 WeakPolarHBondContact O-CB 3.39Å; L156-C160 PolarHBondContact O-N 2.96Å; L156-C160 PolarHBondContact O-SG 3.46Å; L156-I199 HydrophobicContact CD1-CG2 3.94Å; L156-I199 HydrophobicContact CD2-CG2 4.32Å; L156-F203 HydrophobicContact CD1-CD2 4.38Å; L156-F203 HydrophobicContact CD1-CE1 4.42Å; L156-F203 HydrophobicContact CD1-CE2 4.03Å; L156-F203 HydrophobicContact CD1-CZ 4.04Å; L156-F203 HydrophobicContact CD2-CB 4.26Å; L156-F203 HydrophobicContact CD2-CD1 3.86Å; L156-F203 HydrophobicContact CD2-CD2 4.24Å; L156-F203 HydrophobicContact CD2-CE1 4.19Å; L156-F203 HydrophobicContact CD2-CG 3.88Å; L156-L206 HydrophobicContact CD2-CD2 4.27Å; L156-I216 HydrophobicContact CD2-CD1 4.13Å; L156-I216 HydrophobicContact CD2-CG2 4.32Å
157	S	91.8	Very high	90	Very high	27 Å²	27	54.3 Å²	54.3	19%	0.189	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-40.6	178.8	-61.2	0	0	0	0	111.3	F153 R154 C160 R161 M219	F153-S157 VanDerWaalsContact O-CB 3.32Å; F153-S157 WeakPolarHBondContact O-CB 3.33Å; F153-S157 PolarHBondContact O-N 3.08Å; F153-S157 PolarHBondContact O-OG 3.18Å; R154-S157 WeakPolarHBondContact O-CB 3.13Å; R154-S157 PolarHBondContact O-N 3.3Å; S157-C160 PolarHBondContact O-N 2.95Å; S157-R161 WeakPolarHBondContact O-CB 3.44Å; S157-R161 PolarHBondContact O-N 3.43Å; S157-M219 PolarHBondContact OG-SD 3.08Å; S157-M219 VanDerWaalsContact OG-SD 3.39Å
158	E	93	Very high	90.8	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-68.4	-45.5	179.1	-178.8	59.7	-170.7	0	0	112.1	R154 D155 L156 C160 R161 L162	R154-E158 PolarHBondContact O-N 2.83Å; D155-E158 PolarHBondContact O-N 3.11Å; L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 PolarHBondContact O-N 2.93Å; E158-C160 VanDerWaalsContact C-N 3.29Å; E158-C160 PolarHBondContact O-N 3.1Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 VanDerWaalsContact O-N 3.12Å; E158-R161 IonicContact OE1-CZ 2.75Å; E158-R161 IonicContact OE1-NE 3.56Å; E158-R161 IonicContact OE1-NH2 3.54Å; E158-R161 PolarHBondContact OE1-NH2 2.79Å; E158-R161 IonicContact OE2-CZ 3.92Å; E158-R161 IonicContact OE2-NE 2.75Å; E158-R161 PolarHBondContact OE2-NE 3.41Å; E158-R161 IonicContact OE2-NH2 3.57Å; E158-R161 PolarHBondContact OE2-NH2 2.93Å; E158-L162 HydrophobicContact CG-CD1 4.3Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.43Å
159	E	93.7	Very high	91.2	Very high	26 Å²	26	50.6 Å²	50.6	12%	0.121	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-38.3	174.4	-64.9	-63.5	163.4	0	0	112	W112 K116 L119 D155 L156 L162 H163	W112-E159 HydrophobicContact CH2-CG 4.26Å; W112-E159 HydrophobicContact CZ2-CG 3.76Å; K116-E159 WeakPolarHBondContact CE-OE1 3.46Å; K116-E159 WeakPolarHBondContact CE-OE2 3.46Å; K116-E159 IonicContact NZ-OE1 2.86Å; K116-E159 PolarHBondContact NZ-OE1 2.94Å; K116-E159 IonicContact NZ-OE2 3.25Å; K116-E159 PolarHBondContact NZ-OE2 2.88Å; L119-E159 HydrophobicContact CD1-CB 4.14Å; L119-E159 HydrophobicContact CD1-CG 4.4Å; D155-E159 WeakPolarHBondContact O-CG 3.43Å; D155-E159 PolarHBondContact O-N 2.96Å; D155-E159 VanDerWaalsContact O-N 3.15Å; L156-E159 PolarHBondContact O-N 3.19Å; E159-L162 PolarHBondContact O-N 3.03Å; E159-H163 PolarHBondContact O-N 2.82Å
160	C	93.7	Very high	91.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-39	174.6	-65.8	0	0	0	0	111.8	Y123 L156 S157 E158 A164 M196 M219	Y123-C160 PolarHBondContact OH-SG 2.98Å; Y123-C160 VanDerWaalsContact OH-SG 3.38Å; L156-C160 WeakPolarHBondContact O-CB 3.39Å; L156-C160 PolarHBondContact O-N 2.96Å; L156-C160 PolarHBondContact O-SG 3.46Å; S157-C160 PolarHBondContact O-N 2.95Å; E158-C160 VanDerWaalsContact C-N 3.29Å; E158-C160 PolarHBondContact O-N 3.1Å; C160-A164 WeakPolarHBondContact O-CB 3.46Å; C160-A164 PolarHBondContact O-N 3.31Å; C160-M196 HydrophobicContact CB-CE 3.86Å; C160-M219 HydrophobicContact CB-CE 3.89Å
161	R	94.7	Very high	91.7	Very high	101 Å²	101	45.2 Å²	45.2	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-44.3	175	-168.5	-168.5	70	77.3	-0.7	111.4	S157 E158 A164 T165 T223 V227	S157-R161 WeakPolarHBondContact O-CB 3.44Å; S157-R161 PolarHBondContact O-N 3.43Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 VanDerWaalsContact O-N 3.12Å; E158-R161 IonicContact OE1-CZ 2.75Å; E158-R161 IonicContact OE1-NE 3.56Å; E158-R161 IonicContact OE1-NH2 3.54Å; E158-R161 PolarHBondContact OE1-NH2 2.79Å; E158-R161 IonicContact OE2-CZ 3.92Å; E158-R161 IonicContact OE2-NE 2.75Å; E158-R161 PolarHBondContact OE2-NE 3.41Å; E158-R161 IonicContact OE2-NH2 3.57Å; E158-R161 PolarHBondContact OE2-NH2 2.93Å; R161-A164 PolarHBondContact O-N 3.46Å; R161-T165 PolarHBondContact O-N 3.45Å; R161-T165 PolarHBondContact O-OG1 3.38Å; R161-T223 HydrophobicContact CB-CG2 4.35Å; R161-V227 HydrophobicContact CG-CG2 4.05Å
162	L	94	Very high	91.7	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.346	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-42.4	176.8	-69.3	172.1	0	0	0	111.8	E158 E159 T165 K166	E158-L162 HydrophobicContact CG-CD1 4.3Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.43Å; E159-L162 PolarHBondContact O-N 3.03Å; L162-T165 PolarHBondContact O-N 3.16Å; L162-K166 PolarHBondContact O-N 3.04Å; L162-K166 VanDerWaalsContact O-N 3.15Å
163	H	93.7	Very high	91.5	Very high	23 Å²	23	54.4 Å²	54.4	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-43.9	173.8	-179.9	60.2	0	0	0	112.2	Y123 E159 T165 K166 L167	Y123-H163 HydrophobicContact CD1-CB 4.2Å; Y123-H163 AromaticContact CD1-CD2 3.25Å; Y123-H163 WeakPolarHBondContact CD1-CD2 3.2Å; Y123-H163 AromaticContact CD1-CE1 3.81Å; Y123-H163 AromaticContact CD1-CG 3.52Å; Y123-H163 AromaticContact CD1-ND1 3.85Å; Y123-H163 AromaticContact CD1-NE2 3.46Å; Y123-H163 WeakPolarHBondContact CD1-NE2 3.43Å; Y123-H163 HydrophobicContact CD2-CB 4.02Å; Y123-H163 AromaticContact CD2-CG 3.94Å; Y123-H163 HydrophobicContact CE1-CB 4.04Å; Y123-H163 AromaticContact CE1-CD2 3.51Å; Y123-H163 AromaticContact CE1-CG 3.78Å; Y123-H163 HydrophobicContact CE2-CB 3.86Å; Y123-H163 HydrophobicContact CG-CB 4.2Å; Y123-H163 AromaticContact CG-CD2 3.83Å; Y123-H163 AromaticContact CG-CE1 3.77Å; Y123-H163 AromaticContact CG-CG 3.61Å; Y123-H163 AromaticContact CG-ND1 3.58Å; Y123-H163 AromaticContact CG-NE2 3.92Å; E159-H163 PolarHBondContact O-N 2.82Å; H163-T165 VanDerWaalsContact C-N 3.27Å; H163-T165 PolarHBondContact O-N 2.82Å; H163-K166 PolarHBondContact O-N 3.23Å; H163-L167 WeakPolarHBondContact O-CG 3.35Å; H163-L167 PolarHBondContact O-N 3.09Å
164	A	93.9	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-33.8	175.5	0	0	0	0	0	112.9	C160 R161 L167 L168 T223 V227 I228	C160-A164 WeakPolarHBondContact O-CB 3.46Å; C160-A164 PolarHBondContact O-N 3.31Å; R161-A164 PolarHBondContact O-N 3.46Å; A164-L167 PolarHBondContact O-N 3.36Å; A164-L168 PolarHBondContact O-N 3.06Å; A164-T223 HydrophobicContact CB-CG2 3.69Å; A164-V227 HydrophobicContact CB-CB 4.04Å; A164-V227 HydrophobicContact CB-CG1 3.95Å; A164-V227 HydrophobicContact CB-CG2 4.32Å; A164-I228 HydrophobicContact CB-CD1 4.32Å
165	T	94.3	Very high	90.1	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-42.9	174.2	-54.7	0	0	0	0	111.8	R161 L162 H163 L167 L168 E169	R161-T165 PolarHBondContact O-N 3.45Å; R161-T165 PolarHBondContact O-OG1 3.38Å; L162-T165 PolarHBondContact O-N 3.16Å; H163-T165 VanDerWaalsContact C-N 3.27Å; H163-T165 PolarHBondContact O-N 2.82Å; T165-L167 VanDerWaalsContact C-N 3.31Å; T165-L167 PolarHBondContact O-N 3.38Å; T165-L168 WeakPolarHBondContact O-CB 3.3Å; T165-L168 PolarHBondContact O-N 3.26Å; T165-E169 WeakPolarHBondContact O-CG 3.4Å; T165-E169 PolarHBondContact O-N 3.12Å
166	K	92.9	Very high	89.7	Confident	135 Å²	135	57.9 Å²	57.9	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-61.1	-39.3	173.3	-66.5	175.1	-179.3	177.3	0	112	L162 H163 E169 S170	L162-K166 PolarHBondContact O-N 3.04Å; L162-K166 VanDerWaalsContact O-N 3.15Å; H163-K166 PolarHBondContact O-N 3.23Å; K166-E169 PolarHBondContact O-N 2.68Å; K166-S170 PolarHBondContact O-N 2.95Å
167	L	93.1	Very high	89.5	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-40.9	174.4	-68.4	173.7	0	0	0	111.8	H163 A164 T165 S170 L171 I188 F192 I228	H163-L167 WeakPolarHBondContact O-CG 3.35Å; H163-L167 PolarHBondContact O-N 3.09Å; A164-L167 PolarHBondContact O-N 3.36Å; T165-L167 VanDerWaalsContact C-N 3.31Å; T165-L167 PolarHBondContact O-N 3.38Å; L167-S170 PolarHBondContact O-N 2.99Å; L167-S170 PolarHBondContact O-OG 3.34Å; L167-L171 PolarHBondContact O-N 3.42Å; L167-I188 HydrophobicContact CB-CG2 4.31Å; L167-I188 HydrophobicContact CD1-CG2 4.09Å; L167-I188 HydrophobicContact CD2-CG2 4.2Å; L167-I188 HydrophobicContact CG-CG2 4.44Å; L167-F192 HydrophobicContact CD1-CD2 4.11Å; L167-I228 HydrophobicContact CB-CD1 4.1Å; L167-I228 HydrophobicContact CD1-CD1 4.49Å
168	L	93.3	Very high	89.3	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-46.1	174.1	173.3	68.4	0	0	0	111.9	A164 T165 S170 L171 T172 V227 I228 N231 V234	A164-L168 PolarHBondContact O-N 3.06Å; T165-L168 WeakPolarHBondContact O-CB 3.3Å; T165-L168 PolarHBondContact O-N 3.26Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.99Å; L168-L171 WeakPolarHBondContact O-CB 3.42Å; L168-L171 PolarHBondContact O-N 3.38Å; L168-T172 HydrophobicContact CD1-CG2 3.93Å; L168-T172 HydrophobicContact CG-CG2 4.34Å; L168-T172 PolarHBondContact O-N 2.84Å; L168-T172 PolarHBondContact O-OG1 3.11Å; L168-V227 HydrophobicContact CB-CG1 4.46Å; L168-V227 HydrophobicContact CD2-CG1 4.37Å; L168-I228 HydrophobicContact CB-CG1 4.39Å; L168-N231 HydrophobicContact CD1-CB 3.75Å; L168-V234 HydrophobicContact CD1-CG2 3.61Å
169	E	91.3	Very high	89.2	Confident	97 Å²	97	62.9 Å²	62.9	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-42.5	176.9	-71.5	167.1	-170.8	0	0	111.8	T165 K166 L171 T172 Q173	T165-E169 WeakPolarHBondContact O-CG 3.4Å; T165-E169 PolarHBondContact O-N 3.12Å; K166-E169 PolarHBondContact O-N 2.68Å; E169-L171 PolarHBondContact O-N 2.82Å; E169-T172 PolarHBondContact O-N 2.73Å; E169-T172 PolarHBondContact O-OG1 3.21Å; E169-Q173 WeakPolarHBondContact O-CB 3.32Å; E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.21Å; E169-Q173 PolarHBondContact O-N 3.31Å; E169-Q173 VanDerWaalsContact O-N 3.09Å
170	S	89.3	Confident	89	Confident	51 Å²	51	64.5 Å²	64.5	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-23.5	175.7	80.4	0	0	0	0	114.1	K166 L167 L168	K166-S170 PolarHBondContact O-N 2.95Å; L167-S170 PolarHBondContact O-N 2.99Å; L167-S170 PolarHBondContact O-OG 3.34Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 2.99Å
171	L	88.7	Confident	89.1	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-87.8	-30.7	177.9	-82.9	166.1	0	0	0	113.1	L167 L168 E169 W181 L185 I188 I228	L167-L171 PolarHBondContact O-N 3.42Å; L168-L171 WeakPolarHBondContact O-CB 3.42Å; L168-L171 PolarHBondContact O-N 3.38Å; E169-L171 PolarHBondContact O-N 2.82Å; L171-W181 HydrophobicContact CD2-CZ2 4.32Å; L171-W181 PolarHBondContact O-NE1 2.93Å; L171-L185 HydrophobicContact CD1-CD1 3.74Å; L171-L185 HydrophobicContact CD2-CB 4.14Å; L171-L185 HydrophobicContact CD2-CD1 4.3Å; L171-I188 HydrophobicContact CD1-CD1 3.89Å; L171-I188 HydrophobicContact CD2-CD1 3.86Å; L171-I188 HydrophobicContact CG-CD1 3.63Å; L171-I228 HydrophobicContact CD1-CG2 3.99Å
172	T	86.7	Confident	89	Confident	70 Å²	70	59.8 Å²	59.8	43%	0.429	31%	0.31	S	S	.	.	H	α-helix	trans	-85.6	-30	-179.2	54.4	0	0	0	0	113	L168 E169 N174	L168-T172 HydrophobicContact CD1-CG2 3.93Å; L168-T172 HydrophobicContact CG-CG2 4.34Å; L168-T172 PolarHBondContact O-N 2.84Å; L168-T172 PolarHBondContact O-OG1 3.11Å; E169-T172 PolarHBondContact O-N 2.73Å; E169-T172 PolarHBondContact O-OG1 3.21Å; T172-N174 PolarHBondContact O-N 2.86Å
173	Q	83.2	Confident	89	Confident	155 Å²	155	58.9 Å²	58.9	72%	0.724	31%	0.307	S	S	*	.	S	Bend	trans	-76.2	-6.4	174.7	-67.2	174.7	8.8	0	0	113.7	E169	E169-Q173 WeakPolarHBondContact O-CB 3.32Å; E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.21Å; E169-Q173 PolarHBondContact O-N 3.31Å; E169-Q173 VanDerWaalsContact O-N 3.09Å
174	N	73.8	Confident	89	Confident	37 Å²	37	60 Å²	60	20%	0.198	31%	0.314	C	S	.	.			trans	-97	103.3	-169.7	-165.1	-25.5	0	0	0	112.7	T172 N176 R237	T172-N174 PolarHBondContact O-N 2.86Å; N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 2.93Å; N174-N176 WeakPolarHBondContact OD1-CB 3.28Å; N174-N176 PolarHBondContact OD1-N 3.07Å; N174-N176 VanDerWaalsContact OD1-N 3.11Å; N174-N176 PolarHBondContact OD1-ND2 3.08Å; N174-N176 VanDerWaalsContact OD1-ND2 3.14Å; N174-N176 PolarHBondContact OD1-OD1 2.83Å; N174-R237 PolarHBondContact O-NH1 2.98Å
175	E	74.1	Confident	89	Confident	189 Å²	189	60 Å²	60	88%	0.883	31%	0.314	S	S	*	.			trans	-82.7	7.9	179.9	-62.2	-167.7	161	0	0	114.8
176	N	81.6	Confident	89.1	Confident	74 Å²	74	59.1 Å²	59.1	40%	0.396	31%	0.307	S	S	.	.			trans	-51.8	161.1	176.2	-75.2	-9.5	0	0	0	113.2	N174 T180 R237	N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 2.93Å; N174-N176 WeakPolarHBondContact OD1-CB 3.28Å; N174-N176 PolarHBondContact OD1-N 3.07Å; N174-N176 VanDerWaalsContact OD1-N 3.11Å; N174-N176 PolarHBondContact OD1-ND2 3.08Å; N174-N176 VanDerWaalsContact OD1-ND2 3.14Å; N174-N176 PolarHBondContact OD1-OD1 2.83Å; N176-T180 HydrophobicContact CB-CG2 3.98Å; N176-T180 WeakPolarHBondContact ND2-CG2 3.21Å; N176-R237 PolarHBondContact O-NH2 2.68Å
177	D	88.9	Confident	89.1	Confident	89 Å²	89	56.9 Å²	56.9	48%	0.476	30%	0.302	S	S	.	.			trans	-58.2	161.5	174	72.8	-86.1	0	0	0	112.8	L179 T180 W181	D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 3.39Å; D177-L179 WeakPolarHBondContact OD2-CA 3.42Å; D177-L179 WeakPolarHBondContact OD2-CB 3.49Å; D177-L179 PolarHBondContact OD2-N 3.24Å; D177-T180 PolarHBondContact O-N 3.33Å; D177-T180 WeakPolarHBondContact OD1-CB 3.45Å; D177-T180 PolarHBondContact OD1-OG1 2.98Å; D177-T180 PolarHBondContact OD2-N 3.32Å; D177-T180 PolarHBondContact OD2-OG1 3.46Å; D177-W181 WeakPolarHBondContact O-CB 3.42Å; D177-W181 PolarHBondContact O-N 2.76Å
178	T	88.5	Confident	89.2	Confident	53 Å²	53	56.4 Å²	56.4	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-58	-38.1	-175.3	-56	0	0	0	0	113.8	L182 W244	T178-L182 HydrophobicContact CG2-CD1 4.14Å; T178-L182 WeakPolarHBondContact O-CB 3.32Å; T178-L182 VanDerWaalsContact O-CG 3.22Å; T178-L182 WeakPolarHBondContact O-CG 3.35Å; T178-L182 PolarHBondContact O-N 3.43Å; T178-W244 HydrophobicContact CG2-CE3 4.28Å
179	L	89.9	Confident	89.3	Confident	67 Å²	67	55.8 Å²	55.8	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-72.1	-44.9	-178.9	174.1	63.2	0	0	0	110.8	D177 W181 L182 T183 W244 L245 L259	D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 3.39Å; D177-L179 WeakPolarHBondContact OD2-CA 3.42Å; D177-L179 WeakPolarHBondContact OD2-CB 3.49Å; D177-L179 PolarHBondContact OD2-N 3.24Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-L182 PolarHBondContact O-N 2.88Å; L179-T183 WeakPolarHBondContact O-CB 3.5Å; L179-T183 PolarHBondContact O-N 2.87Å; L179-T183 PolarHBondContact O-OG1 3.39Å; L179-W244 HydrophobicContact CB-CZ3 4.41Å; L179-L245 HydrophobicContact CD1-CD2 4.11Å; L179-L259 HydrophobicContact CD1-CD2 3.8Å
180	T	90.5	Very high	89.5	Confident	60 Å²	60	54.1 Å²	54.1	37%	0.368	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-40.5	175.8	-59.1	0	0	0	0	111.1	N176 D177 T183 N184	N176-T180 HydrophobicContact CB-CG2 3.98Å; N176-T180 WeakPolarHBondContact ND2-CG2 3.21Å; D177-T180 PolarHBondContact O-N 3.33Å; D177-T180 WeakPolarHBondContact OD1-CB 3.45Å; D177-T180 PolarHBondContact OD1-OG1 2.98Å; D177-T180 PolarHBondContact OD2-N 3.32Å; D177-T180 PolarHBondContact OD2-OG1 3.46Å; T180-T183 PolarHBondContact O-N 3.44Å; T180-N184 PolarHBondContact O-N 2.98Å
181	W	94.3	Very high	89.7	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-44.8	176.6	-175.1	90.2	0	0	0	112.5	L171 D177 L179 T183 N184 L185 V234 R237 L238	L171-W181 HydrophobicContact CD2-CZ2 4.32Å; L171-W181 PolarHBondContact O-NE1 2.93Å; D177-W181 WeakPolarHBondContact O-CB 3.42Å; D177-W181 PolarHBondContact O-N 2.76Å; L179-W181 VanDerWaalsContact C-N 3.34Å; W181-T183 VanDerWaalsContact C-N 3.32Å; W181-T183 PolarHBondContact O-N 3.3Å; W181-N184 WeakPolarHBondContact O-CB 3.06Å; W181-N184 PolarHBondContact O-N 2.91Å; W181-L185 HydrophobicContact CH2-CD2 3.97Å; W181-L185 HydrophobicContact CZ3-CD2 3.96Å; W181-L185 PolarHBondContact O-N 3.48Å; W181-V234 HydrophobicContact CH2-CB 4.47Å; W181-V234 HydrophobicContact CH2-CG1 3.92Å; W181-V234 HydrophobicContact CZ2-CB 4.47Å; W181-V234 HydrophobicContact CZ2-CG1 4.17Å; W181-V234 HydrophobicContact CZ2-CG2 4.46Å; W181-R237 HydrophobicContact CD2-CG 4.08Å; W181-R237 HydrophobicContact CE3-CB 4.49Å; W181-R237 HydrophobicContact CE3-CG 3.81Å; W181-R237 HydrophobicContact CH2-CB 3.88Å; W181-R237 HydrophobicContact CH2-CG 4.07Å; W181-R237 HydrophobicContact CZ2-CB 4.3Å; W181-R237 HydrophobicContact CZ2-CG 4.33Å; W181-R237 HydrophobicContact CZ3-CB 3.99Å; W181-R237 HydrophobicContact CZ3-CG 3.81Å; W181-L238 HydrophobicContact CH2-CB 4.35Å; W181-L238 HydrophobicContact CZ3-CB 4.24Å
182	L	93.6	Very high	90	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-37.2	174.7	-73.8	173	0	0	0	112.4	T178 L179 L185 N186 L238 L245 L259 L263	T178-L182 HydrophobicContact CG2-CD1 4.14Å; T178-L182 WeakPolarHBondContact O-CB 3.32Å; T178-L182 VanDerWaalsContact O-CG 3.22Å; T178-L182 WeakPolarHBondContact O-CG 3.35Å; T178-L182 PolarHBondContact O-N 3.43Å; L179-L182 PolarHBondContact O-N 2.88Å; L182-L185 PolarHBondContact O-N 3.25Å; L182-N186 WeakPolarHBondContact O-CB 3.34Å; L182-N186 PolarHBondContact O-N 3.43Å; L182-L238 HydrophobicContact CD2-CD1 3.76Å; L182-L245 HydrophobicContact CD1-CD1 3.54Å; L182-L245 HydrophobicContact CD1-CG 4.15Å; L182-L259 HydrophobicContact CB-CD2 4.42Å; L182-L263 HydrophobicContact CB-CD1 4.13Å; L182-L263 HydrophobicContact CD2-CD1 4.08Å
183	T	93.5	Very high	90.3	Very high	47 Å²	47	52 Å²	52	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-42.7	174.8	-55.8	0	0	0	0	110.9	L179 T180 W181 N186 N187 L259	L179-T183 WeakPolarHBondContact O-CB 3.5Å; L179-T183 PolarHBondContact O-N 2.87Å; L179-T183 PolarHBondContact O-OG1 3.39Å; T180-T183 PolarHBondContact O-N 3.44Å; W181-T183 VanDerWaalsContact C-N 3.32Å; W181-T183 PolarHBondContact O-N 3.3Å; T183-N186 PolarHBondContact O-N 3.17Å; T183-N187 PolarHBondContact O-N 2.79Å; T183-N187 PolarHBondContact O-ND2 2.86Å; T183-N187 PolarHBondContact O-OD1 3.15Å; T183-L259 WeakPolarHBondContact OG1-CD2 3.44Å
184	N	93.4	Very high	90.8	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-45.1	175	-172.4	43.1	0	0	0	112.1	T180 W181 N186 N187 I188	T180-N184 PolarHBondContact O-N 2.98Å; W181-N184 WeakPolarHBondContact O-CB 3.06Å; W181-N184 PolarHBondContact O-N 2.91Å; N184-N186 VanDerWaalsContact C-N 3.33Å; N184-N186 PolarHBondContact O-N 2.76Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-N187 VanDerWaalsContact O-N 3.15Å; N184-I188 WeakPolarHBondContact O-CG1 3.41Å; N184-I188 PolarHBondContact O-N 3.12Å
185	L	94.8	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-43.1	175	177.4	63.3	0	0	0	112.1	L171 W181 L182 N187 I188 W189 I228 L238 L263 M266	L171-L185 HydrophobicContact CD1-CD1 3.74Å; L171-L185 HydrophobicContact CD2-CB 4.14Å; L171-L185 HydrophobicContact CD2-CD1 4.3Å; W181-L185 HydrophobicContact CH2-CD2 3.97Å; W181-L185 HydrophobicContact CZ3-CD2 3.96Å; W181-L185 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 3.25Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.91Å; L185-I188 PolarHBondContact O-N 3.04Å; L185-W189 PolarHBondContact O-N 3.45Å; L185-I228 HydrophobicContact CD1-CG2 4.26Å; L185-L238 HydrophobicContact CD2-CB 4.34Å; L185-L238 HydrophobicContact CD2-CD1 3.82Å; L185-L238 HydrophobicContact CD2-CD2 4.17Å; L185-L238 HydrophobicContact CD2-CG 4.33Å; L185-L263 HydrophobicContact CD2-CD2 4.48Å; L185-M266 HydrophobicContact CD2-CE 4.37Å
186	N	95.2	Very high	92.7	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-40.8	174.9	178.3	78.1	0	0	0	112.4	L182 T183 N184 W189 C190 L259 S262 L263	L182-N186 WeakPolarHBondContact O-CB 3.34Å; L182-N186 PolarHBondContact O-N 3.43Å; T183-N186 PolarHBondContact O-N 3.17Å; N184-N186 VanDerWaalsContact C-N 3.33Å; N184-N186 PolarHBondContact O-N 2.76Å; N186-W189 PolarHBondContact O-N 3.23Å; N186-C190 PolarHBondContact O-N 3.17Å; N186-C190 PolarHBondContact O-SG 2.74Å; N186-L259 HydrophobicContact CB-CD1 3.49Å; N186-L259 VanDerWaalsContact CB-CD1 3.49Å; N186-S262 WeakPolarHBondContact OD1-CB 3.3Å; N186-S262 PolarHBondContact OD1-OG 2.73Å; N186-L263 HydrophobicContact CB-CD2 4.06Å; N186-L263 HydrophobicContact CB-CG 4.44Å
187	N	94.3	Very high	93.1	Very high	88 Å²	88	40.6 Å²	40.6	47%	0.471	22%	0.22	S	C	.	.	H	α-helix	trans	-65	-42.9	177	-67.6	-15.9	0	0	0	111.4	T183 N184 L185 W189 C190 L191	T183-N187 PolarHBondContact O-N 2.79Å; T183-N187 PolarHBondContact O-ND2 2.86Å; T183-N187 PolarHBondContact O-OD1 3.15Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-N187 VanDerWaalsContact O-N 3.15Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.91Å; N187-W189 PolarHBondContact O-N 3.43Å; N187-C190 PolarHBondContact O-N 3.32Å; N187-L191 WeakPolarHBondContact O-CB 3.27Å; N187-L191 PolarHBondContact O-N 3.12Å
188	I	94.5	Very high	93.2	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-44	174.1	-73.1	170.2	0	0	0	111	L167 L171 N184 L185 L191 F192 F224	L167-I188 HydrophobicContact CB-CG2 4.31Å; L167-I188 HydrophobicContact CD1-CG2 4.09Å; L167-I188 HydrophobicContact CD2-CG2 4.2Å; L167-I188 HydrophobicContact CG-CG2 4.44Å; L171-I188 HydrophobicContact CD1-CD1 3.89Å; L171-I188 HydrophobicContact CD2-CD1 3.86Å; L171-I188 HydrophobicContact CG-CD1 3.63Å; N184-I188 WeakPolarHBondContact O-CG1 3.41Å; N184-I188 PolarHBondContact O-N 3.12Å; L185-I188 PolarHBondContact O-N 3.04Å; I188-L191 PolarHBondContact O-N 2.69Å; I188-F192 VanDerWaalsContact O-CB 3.24Å; I188-F192 WeakPolarHBondContact O-CB 3.42Å; I188-F192 PolarHBondContact O-N 2.69Å; I188-F224 HydrophobicContact CG2-CE2 4.37Å
189	W	95.5	Very high	93.4	Very high	12 Å²	12	37 Å²	37	5%	0.045	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-48.7	174.7	167.5	-112.8	0	0	0	112.7	L185 N186 N187 L191 F192 C193 L221 F224 M266 T269 V270	L185-W189 PolarHBondContact O-N 3.45Å; N186-W189 PolarHBondContact O-N 3.23Å; N187-W189 PolarHBondContact O-N 3.43Å; W189-L191 VanDerWaalsContact C-N 3.3Å; W189-L191 PolarHBondContact O-N 3.36Å; W189-F192 PolarHBondContact O-N 2.82Å; W189-C193 WeakPolarHBondContact CZ2-SG 3.49Å; W189-C193 PolarHBondContact O-N 3.05Å; W189-C193 PolarHBondContact O-SG 3.34Å; W189-L221 HydrophobicContact CH2-CD2 3.62Å; W189-L221 HydrophobicContact CZ3-CD2 4.15Å; W189-F224 HydrophobicContact CB-CZ 4.05Å; W189-F224 HydrophobicContact CD2-CZ 4.49Å; W189-F224 AromaticContact CE3-CD1 3.82Å; W189-F224 HydrophobicContact CE3-CD1 3.82Å; W189-F224 HydrophobicContact CE3-CD2 4.11Å; W189-F224 AromaticContact CE3-CE1 3.64Å; W189-F224 HydrophobicContact CE3-CE1 3.64Å; W189-F224 AromaticContact CE3-CE2 3.96Å; W189-F224 HydrophobicContact CE3-CE2 3.96Å; W189-F224 HydrophobicContact CE3-CG 4.06Å; W189-F224 AromaticContact CE3-CZ 3.73Å; W189-F224 HydrophobicContact CE3-CZ 3.73Å; W189-F224 AromaticContact CZ3-CD1 3.9Å; W189-F224 HydrophobicContact CZ3-CD1 3.9Å; W189-F224 HydrophobicContact CZ3-CD2 4.44Å; W189-F224 HydrophobicContact CZ3-CE1 4.19Å; W189-F224 HydrophobicContact CZ3-CG 4.05Å; W189-M266 HydrophobicContact CB-CG 4.45Å; W189-M266 HydrophobicContact CB-SD 3.74Å; W189-M266 HydrophobicContact CD2-CB 4.05Å; W189-M266 HydrophobicContact CD2-CG 3.53Å; W189-M266 HydrophobicContact CD2-SD 3.97Å; W189-M266 HydrophobicContact CE3-CG 3.91Å; W189-M266 HydrophobicContact CE3-SD 4.32Å; W189-M266 HydrophobicContact CG-CB 4.08Å; W189-M266 HydrophobicContact CG-CG 3.77Å; W189-M266 HydrophobicContact CG-SD 3.7Å; W189-M266 HydrophobicContact CH2-CG 4.49Å; W189-M266 HydrophobicContact CZ2-CB 4.28Å; W189-M266 HydrophobicContact CZ2-CG 4.17Å; W189-M266 HydrophobicContact CZ3-CG 4.38Å; W189-T269 HydrophobicContact CH2-CG2 4.12Å; W189-T269 HydrophobicContact CZ2-CG2 4.04Å; W189-V270 HydrophobicContact CH2-CG2 3.56Å; W189-V270 HydrophobicContact CZ2-CG2 4.47Å; W189-V270 HydrophobicContact CZ3-CG2 3.64Å
190	C	94.8	Very high	93.4	Very high	61 Å²	61	38.6 Å²	38.6	41%	0.412	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-40.8	178.8	-65.9	0	0	0	0	111.6	N186 N187 R194	N186-C190 PolarHBondContact O-N 3.17Å; N186-C190 PolarHBondContact O-SG 2.74Å; N187-C190 PolarHBondContact O-N 3.32Å; C190-R194 PolarHBondContact O-N 2.9Å; C190-R194 VanDerWaalsContact O-N 3.12Å
191	L	93.5	Very high	93.4	Very high	52 Å²	52	39.3 Å²	39.3	27%	0.272	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-45.7	176.5	-164.4	65.4	0	0	0	111.6	Q125 N187 I188 W189 C193 R194 N195	Q125-L191 VanDerWaalsContact CD-CD1 3.44Å; Q125-L191 HydrophobicContact CG-CD1 4.09Å; N187-L191 WeakPolarHBondContact O-CB 3.27Å; N187-L191 PolarHBondContact O-N 3.12Å; I188-L191 PolarHBondContact O-N 2.69Å; W189-L191 VanDerWaalsContact C-N 3.3Å; W189-L191 PolarHBondContact O-N 3.36Å; L191-C193 PolarHBondContact O-N 3.36Å; L191-R194 PolarHBondContact O-N 3.07Å; L191-N195 WeakPolarHBondContact O-CB 3.44Å; L191-N195 PolarHBondContact O-N 2.7Å; L191-N195 PolarHBondContact O-OD1 3.35Å
192	F	94.6	Very high	93.2	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-43	177.7	-174	-90	0	0	0	111.7	L167 I188 W189 R194 N195 M196 G220 F224	L167-F192 HydrophobicContact CD1-CD2 4.11Å; I188-F192 VanDerWaalsContact O-CB 3.24Å; I188-F192 WeakPolarHBondContact O-CB 3.42Å; I188-F192 PolarHBondContact O-N 2.69Å; W189-F192 PolarHBondContact O-N 2.82Å; F192-R194 PolarHBondContact O-N 3.03Å; F192-N195 PolarHBondContact O-N 2.75Å; F192-M196 HydrophobicContact CD1-CG 4Å; F192-M196 HydrophobicContact CD2-CE 4.41Å; F192-M196 HydrophobicContact CE1-CE 4.1Å; F192-M196 HydrophobicContact CE1-CG 3.67Å; F192-M196 HydrophobicContact CE2-CE 3.6Å; F192-M196 HydrophobicContact CZ-CE 3.42Å; F192-M196 VanDerWaalsContact CZ-CE 3.42Å; F192-M196 HydrophobicContact CZ-CG 4.01Å; F192-M196 HydrophobicContact CZ-SD 4.43Å; F192-M196 WeakPolarHBondContact O-CB 3.34Å; F192-M196 WeakPolarHBondContact O-CG 3.42Å; F192-M196 PolarHBondContact O-N 2.98Å; F192-G220 VanDerWaalsContact CE1-O 3.27Å; F192-G220 WeakPolarHBondContact CE1-O 3.49Å; F192-G220 VanDerWaalsContact CZ-O 3.31Å; F192-G220 WeakPolarHBondContact CZ-O 3.45Å; F192-F224 HydrophobicContact CB-CD2 4.24Å; F192-F224 HydrophobicContact CB-CE2 4.21Å; F192-F224 HydrophobicContact CD1-CB 4.31Å; F192-F224 AromaticContact CD1-CD2 3.64Å; F192-F224 HydrophobicContact CD1-CD2 3.64Å; F192-F224 HydrophobicContact CD1-CE2 4.39Å; F192-F224 HydrophobicContact CD1-CG 4.29Å; F192-F224 HydrophobicContact CD2-CD2 4.03Å; F192-F224 HydrophobicContact CE1-CB 3.77Å; F192-F224 AromaticContact CE1-CD2 3.9Å; F192-F224 HydrophobicContact CE1-CD2 3.9Å; F192-F224 HydrophobicContact CE1-CG 4.24Å; F192-F224 HydrophobicContact CE2-CD2 4.26Å; F192-F224 AromaticContact CG-CD2 3.7Å; F192-F224 HydrophobicContact CG-CD2 3.7Å; F192-F224 HydrophobicContact CG-CE2 4.17Å; F192-F224 HydrophobicContact CZ-CB 4.03Å; F192-F224 HydrophobicContact CZ-CD2 4.18Å
193	C	93.9	Very high	93.1	Very high	23 Å²	23	39.3 Å²	39.3	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-42.3	173.8	-71.5	0	0	0	0	112.6	W189 L191 S197 W217	W189-C193 WeakPolarHBondContact CZ2-SG 3.49Å; W189-C193 PolarHBondContact O-N 3.05Å; W189-C193 PolarHBondContact O-SG 3.34Å; L191-C193 PolarHBondContact O-N 3.36Å; C193-S197 WeakPolarHBondContact O-CB 3.39Å; C193-S197 PolarHBondContact O-N 3.01Å; C193-S197 PolarHBondContact O-OG 2.88Å; C193-W217 HydrophobicContact CB-CH2 3.96Å
194	R	93.6	Very high	92.9	Very high	151 Å²	151	39.5 Å²	39.5	57%	0.57	20%	0.204	S	C	*	.	H	α-helix	trans	-63.9	-46.9	175.8	-175.5	169.6	72.9	-167.1	4.8	111.2	C190 L191 F192 S197 M198	C190-R194 PolarHBondContact O-N 2.9Å; C190-R194 VanDerWaalsContact O-N 3.12Å; L191-R194 PolarHBondContact O-N 3.07Å; F192-R194 PolarHBondContact O-N 3.03Å; R194-S197 WeakPolarHBondContact O-CB 3.4Å; R194-S197 PolarHBondContact O-N 3.27Å; R194-M198 PolarHBondContact O-N 3.25Å
195	N	94	Very high	92.6	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-49.2	178.7	-67.6	-3.4	0	0	0	110.8	I122 Q125 L191 F192 S197 M198 I199	I122-N195 HydrophobicContact CG2-CB 3.76Å; I122-N195 PolarHBondContact O-OD1 2.85Å; Q125-N195 PolarHBondContact NE2-ND2 3.22Å; Q125-N195 PolarHBondContact NE2-OD1 2.72Å; L191-N195 WeakPolarHBondContact O-CB 3.44Å; L191-N195 PolarHBondContact O-N 2.7Å; L191-N195 PolarHBondContact O-OD1 3.35Å; F192-N195 PolarHBondContact O-N 2.75Å; N195-S197 VanDerWaalsContact C-N 3.31Å; N195-S197 PolarHBondContact O-N 3.48Å; N195-M198 PolarHBondContact O-N 2.86Å; N195-M198 VanDerWaalsContact O-N 3.13Å; N195-I199 VanDerWaalsContact O-CG1 3.25Å; N195-I199 WeakPolarHBondContact O-CG1 3.38Å; N195-I199 PolarHBondContact O-N 3.4Å
196	M	93.6	Very high	92.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-34.3	177.6	-72.1	-61.4	159.8	0	0	113.2	C160 F192 I199 R200 W217 M219	C160-M196 HydrophobicContact CB-CE 3.86Å; F192-M196 HydrophobicContact CD1-CG 4Å; F192-M196 HydrophobicContact CD2-CE 4.41Å; F192-M196 HydrophobicContact CE1-CE 4.1Å; F192-M196 HydrophobicContact CE1-CG 3.67Å; F192-M196 HydrophobicContact CE2-CE 3.6Å; F192-M196 HydrophobicContact CZ-CE 3.42Å; F192-M196 VanDerWaalsContact CZ-CE 3.42Å; F192-M196 HydrophobicContact CZ-CG 4.01Å; F192-M196 HydrophobicContact CZ-SD 4.43Å; F192-M196 WeakPolarHBondContact O-CB 3.34Å; F192-M196 WeakPolarHBondContact O-CG 3.42Å; F192-M196 PolarHBondContact O-N 2.98Å; M196-I199 HydrophobicContact CE-CD1 4.37Å; M196-I199 HydrophobicContact SD-CD1 4.18Å; M196-R200 VanDerWaalsContact O-CB 3.26Å; M196-R200 WeakPolarHBondContact O-CB 3.2Å; M196-R200 PolarHBondContact O-N 3.29Å; M196-W217 HydrophobicContact CB-CE3 4.12Å; M196-W217 HydrophobicContact CB-CZ3 4.06Å; M196-M219 HydrophobicContact CE-CE 4.46Å; M196-M219 HydrophobicContact SD-CE 4.19Å
197	S	90.9	Very high	91.8	Very high	58 Å²	58	37.7 Å²	37.7	41%	0.406	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-42.7	173.4	-58.8	0	0	0	0	111.7	C193 R194 N195 R200 C201	C193-S197 WeakPolarHBondContact O-CB 3.39Å; C193-S197 PolarHBondContact O-N 3.01Å; C193-S197 PolarHBondContact O-OG 2.88Å; R194-S197 WeakPolarHBondContact O-CB 3.4Å; R194-S197 PolarHBondContact O-N 3.27Å; N195-S197 VanDerWaalsContact C-N 3.31Å; N195-S197 PolarHBondContact O-N 3.48Å; S197-R200 PolarHBondContact O-N 2.85Å; S197-C201 PolarHBondContact O-N 3.45Å; S197-C201 VanDerWaalsContact O-N 3.15Å; S197-C201 PolarHBondContact O-SG 2.87Å
198	M	89.9	Confident	91.3	Very high	66 Å²	66	42.2 Å²	42.2	33%	0.325	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-41.1	179	-171.5	170	166.9	0	0	112.3	I122 V128 R194 N195 R200 C201 I202	I122-M198 HydrophobicContact CD1-CE 4.06Å; I122-M198 HydrophobicContact CD1-CG 3.96Å; I122-M198 HydrophobicContact CD1-SD 4.25Å; I122-M198 HydrophobicContact CG1-CE 3.66Å; I122-M198 HydrophobicContact CG1-CG 4.23Å; I122-M198 HydrophobicContact CG1-SD 3.85Å; I122-M198 HydrophobicContact CG2-SD 4.49Å; V128-M198 HydrophobicContact CG2-CE 3.67Å; R194-M198 PolarHBondContact O-N 3.25Å; N195-M198 PolarHBondContact O-N 2.86Å; N195-M198 VanDerWaalsContact O-N 3.13Å; M198-R200 VanDerWaalsContact C-N 3.34Å; M198-R200 PolarHBondContact O-N 3.48Å; M198-C201 WeakPolarHBondContact O-CB 3.32Å; M198-C201 PolarHBondContact O-N 2.88Å; M198-C201 VanDerWaalsContact O-N 3.14Å; M198-I202 PolarHBondContact O-N 3.28Å
199	I	92.8	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-46.7	172	-68.2	168.4	0	0	0	110	L119 I122 Y123 L156 N195 M196 C201 I202 F203 I216	L119-I199 HydrophobicContact CD2-CD1 3.9Å; L119-I199 HydrophobicContact CD2-CG1 3.68Å; L119-I199 HydrophobicContact CD2-CG2 4.17Å; I122-I199 HydrophobicContact CD1-CG1 4.13Å; I122-I199 HydrophobicContact CG2-CG1 4.38Å; Y123-I199 HydrophobicContact CE1-CD1 3.74Å; L156-I199 HydrophobicContact CD1-CG2 3.94Å; L156-I199 HydrophobicContact CD2-CG2 4.32Å; N195-I199 VanDerWaalsContact O-CG1 3.25Å; N195-I199 WeakPolarHBondContact O-CG1 3.38Å; N195-I199 PolarHBondContact O-N 3.4Å; M196-I199 HydrophobicContact CE-CD1 4.37Å; M196-I199 HydrophobicContact SD-CD1 4.18Å; I199-C201 VanDerWaalsContact C-N 3.25Å; I199-C201 PolarHBondContact O-N 3.34Å; I199-I202 PolarHBondContact O-N 2.83Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I199-F203 HydrophobicContact CG2-CD2 3.94Å; I199-F203 HydrophobicContact CG2-CE2 4.43Å; I199-F203 WeakPolarHBondContact O-CD2 3.44Å; I199-F203 PolarHBondContact O-N 2.78Å; I199-I216 HydrophobicContact CG2-CG2 4.19Å
200	R	90.7	Very high	89.7	Confident	100 Å²	100	46.3 Å²	46.3	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-32.3	176.4	-173.9	179	-176.9	-145.1	-4.8	113.1	M196 S197 M198 L204 D207 I216	M196-R200 VanDerWaalsContact O-CB 3.26Å; M196-R200 WeakPolarHBondContact O-CB 3.2Å; M196-R200 PolarHBondContact O-N 3.29Å; S197-R200 PolarHBondContact O-N 2.85Å; M198-R200 VanDerWaalsContact C-N 3.34Å; M198-R200 PolarHBondContact O-N 3.48Å; R200-L204 WeakPolarHBondContact O-CA 3.25Å; R200-L204 WeakPolarHBondContact O-CB 3.25Å; R200-L204 PolarHBondContact O-N 2.78Å; R200-D207 IonicContact CZ-OD2 2.75Å; R200-D207 IonicContact NE-OD2 3.59Å; R200-D207 PolarHBondContact NE-OD2 2.92Å; R200-D207 IonicContact NH2-OD2 3.18Å; R200-D207 PolarHBondContact NH2-OD2 2.89Å; R200-I216 HydrophobicContact CB-CG2 4.48Å
201	C	89.7	Confident	88.3	Confident	75 Å²	75	48.7 Å²	48.7	51%	0.507	24%	0.239	S	C	.	.	H	α-helix	trans	-66.5	-43.5	175	-65.6	0	0	0	0	111.8	S197 M198 I199	S197-C201 PolarHBondContact O-N 3.45Å; S197-C201 VanDerWaalsContact O-N 3.15Å; S197-C201 PolarHBondContact O-SG 2.87Å; M198-C201 WeakPolarHBondContact O-CB 3.32Å; M198-C201 PolarHBondContact O-N 2.88Å; M198-C201 VanDerWaalsContact O-N 3.14Å; I199-C201 VanDerWaalsContact C-N 3.25Å; I199-C201 PolarHBondContact O-N 3.34Å
202	I	90.9	Very high	87.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-47.8	176.7	-66.7	165.7	0	0	0	110.7	L115 I122 I132 L135 V139 M198 I199 L204	L115-I202 HydrophobicContact CD2-CG2 4.3Å; I122-I202 HydrophobicContact CD1-CD1 3.69Å; I132-I202 HydrophobicContact CG2-CG1 4.09Å; L135-I202 HydrophobicContact CB-CG2 3.67Å; L135-I202 HydrophobicContact CD1-CD1 4.18Å; V139-I202 HydrophobicContact CG2-CG2 4.36Å; M198-I202 PolarHBondContact O-N 3.28Å; I199-I202 PolarHBondContact O-N 2.83Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I202-L204 VanDerWaalsContact C-N 3.31Å; I202-L204 PolarHBondContact O-N 3.26Å
203	F	91.7	Very high	85.7	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	18.7	-174.9	-71.3	-97	0	0	0	113.9	L115 L119 V139 L152 L156 I199 P205 L206 D207 I216	L115-F203 HydrophobicContact CB-CZ 4.22Å; L115-F203 HydrophobicContact CD1-CE1 4.13Å; L115-F203 HydrophobicContact CD1-CZ 4.14Å; L115-F203 HydrophobicContact CD2-CZ 4.09Å; L115-F203 HydrophobicContact CG-CZ 4.39Å; L119-F203 HydrophobicContact CD2-CE2 3.98Å; L119-F203 HydrophobicContact CG-CE2 4.49Å; V139-F203 HydrophobicContact CB-CD1 4.48Å; V139-F203 HydrophobicContact CG1-CD1 3.98Å; V139-F203 HydrophobicContact CG2-CD1 3.59Å; V139-F203 HydrophobicContact CG2-CE1 3.72Å; V139-F203 HydrophobicContact CG2-CG 4.06Å; V139-F203 HydrophobicContact CG2-CZ 4.27Å; L152-F203 HydrophobicContact CD1-CE1 4.31Å; L152-F203 HydrophobicContact CD2-CE1 4.38Å; L152-F203 HydrophobicContact CG-CE1 4.29Å; L156-F203 HydrophobicContact CD1-CD2 4.38Å; L156-F203 HydrophobicContact CD1-CE1 4.42Å; L156-F203 HydrophobicContact CD1-CE2 4.03Å; L156-F203 HydrophobicContact CD1-CZ 4.04Å; L156-F203 HydrophobicContact CD2-CB 4.26Å; L156-F203 HydrophobicContact CD2-CD1 3.86Å; L156-F203 HydrophobicContact CD2-CD2 4.24Å; L156-F203 HydrophobicContact CD2-CE1 4.19Å; L156-F203 HydrophobicContact CD2-CG 3.88Å; I199-F203 HydrophobicContact CG2-CD2 3.94Å; I199-F203 HydrophobicContact CG2-CE2 4.43Å; I199-F203 WeakPolarHBondContact O-CD2 3.44Å; I199-F203 PolarHBondContact O-N 2.78Å; F203-P205 VanDerWaalsContact C-N 3.32Å; F203-L206 HydrophobicContact CB-CB 4.45Å; F203-L206 HydrophobicContact CD1-CD2 3.93Å; F203-L206 WeakPolarHBondContact O-CA 3.4Å; F203-L206 VanDerWaalsContact O-CB 3.29Å; F203-L206 WeakPolarHBondContact O-CB 3.22Å; F203-L206 PolarHBondContact O-N 3.25Å; F203-D207 PolarHBondContact O-N 3.08Å; F203-I216 HydrophobicContact CB-CD1 3.35Å; F203-I216 HydrophobicContact CG-CD1 4.48Å; F203-I216 WeakPolarHBondContact O-CD1 3.27Å
204	L	88.9	Confident	84.6	Confident	50 Å²	50	59 Å²	59	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-56.1	-31.4	178.4	-178.2	63.1	0	0	0	114.9	F136 R200 I202 L206 D207 R208	F136-L204 HydrophobicContact CD2-CB 4.3Å; F136-L204 HydrophobicContact CE2-CB 3.95Å; F136-L204 HydrophobicContact CE2-CD2 4.24Å; F136-L204 HydrophobicContact CE2-CG 4.35Å; R200-L204 WeakPolarHBondContact O-CA 3.25Å; R200-L204 WeakPolarHBondContact O-CB 3.25Å; R200-L204 PolarHBondContact O-N 2.78Å; I202-L204 VanDerWaalsContact C-N 3.31Å; I202-L204 PolarHBondContact O-N 3.26Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.43Å; L204-D207 HydrophobicContact CD1-CB 4.48Å; L204-D207 PolarHBondContact O-N 2.8Å; L204-R208 HydrophobicContact CD1-CG 4.5Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 3.34Å
205	P	87.4	Confident	84.3	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-33.5	173	-19.2	31.9	0	0	0	112.9	F136 V139 N140 F203 K209	F136-P205 HydrophobicContact CD1-CG 4.39Å; F136-P205 HydrophobicContact CD2-CG 3.79Å; F136-P205 HydrophobicContact CE1-CG 4.17Å; F136-P205 HydrophobicContact CE2-CG 3.57Å; F136-P205 HydrophobicContact CG-CG 4.19Å; F136-P205 HydrophobicContact CZ-CG 3.77Å; V139-P205 HydrophobicContact CB-CG 4.42Å; V139-P205 HydrophobicContact CG1-CB 4.21Å; V139-P205 HydrophobicContact CG1-CG 4.2Å; N140-P205 HydrophobicContact CB-CB 3.98Å; N140-P205 HydrophobicContact CB-CG 3.88Å; F203-P205 VanDerWaalsContact C-N 3.32Å; P205-K209 PolarHBondContact O-N 3.12Å
206	L	87.7	Confident	84.1	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-72	-46.8	176.5	-177.3	64.8	0	0	0	110.8	V139 T149 L152 F153 L156 F203 L204 R208 K209 L210	V139-L206 HydrophobicContact CG1-CB 4.01Å; T149-L206 HydrophobicContact CG2-CD1 3.54Å; T149-L206 WeakPolarHBondContact O-CD1 3.42Å; L152-L206 HydrophobicContact CD2-CD1 4.5Å; L152-L206 HydrophobicContact CD2-CD2 4.27Å; L152-L206 HydrophobicContact CG-CD2 4.23Å; F153-L206 HydrophobicContact CB-CD1 4.29Å; F153-L206 HydrophobicContact CB-CD2 4.16Å; F153-L206 HydrophobicContact CD2-CD2 4.27Å; F153-L206 HydrophobicContact CD2-CG 4.49Å; L156-L206 HydrophobicContact CD2-CD2 4.27Å; F203-L206 HydrophobicContact CB-CB 4.45Å; F203-L206 HydrophobicContact CD1-CD2 3.93Å; F203-L206 WeakPolarHBondContact O-CA 3.4Å; F203-L206 VanDerWaalsContact O-CB 3.29Å; F203-L206 WeakPolarHBondContact O-CB 3.22Å; F203-L206 PolarHBondContact O-N 3.25Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.43Å; L206-R208 PolarHBondContact O-N 3.46Å; L206-R208 VanDerWaalsContact O-N 3.16Å; L206-K209 PolarHBondContact O-N 3.13Å; L206-L210 HydrophobicContact CD1-CD1 3.59Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 PolarHBondContact O-N 3.31Å
207	D	84.9	Confident	83.9	Confident	22 Å²	22	58 Å²	58	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-54.4	-33.1	175.5	-156.8	44.8	0	0	0	111.7	R200 F203 L204 T215 I216	R200-D207 IonicContact CZ-OD2 2.75Å; R200-D207 IonicContact NE-OD2 3.59Å; R200-D207 PolarHBondContact NE-OD2 2.92Å; R200-D207 IonicContact NH2-OD2 3.18Å; R200-D207 PolarHBondContact NH2-OD2 2.89Å; F203-D207 PolarHBondContact O-N 3.08Å; L204-D207 HydrophobicContact CD1-CB 4.48Å; L204-D207 PolarHBondContact O-N 2.8Å; D207-T215 WeakPolarHBondContact OD1-CA 3.44Å; D207-T215 VanDerWaalsContact OD1-CB 3.23Å; D207-T215 WeakPolarHBondContact OD1-CB 3.24Å; D207-I216 HydrophobicContact CB-CD1 4.01Å; D207-I216 HydrophobicContact CB-CG1 4.21Å; D207-I216 PolarHBondContact OD1-N 3.15Å
208	R	84.7	Confident	83.9	Confident	182 Å²	182	59.5 Å²	59.5	69%	0.687	30%	0.297	S	S	*	.	H	α-helix	trans	-79.8	-28.3	176.7	-73.6	176.3	175.6	177.7	0.3	114.8	L204 L206	L204-R208 HydrophobicContact CD1-CG 4.5Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 3.34Å; L206-R208 PolarHBondContact O-N 3.46Å; L206-R208 VanDerWaalsContact O-N 3.16Å
209	K	81.8	Confident	83.9	Confident	94 Å²	94	57.1 Å²	57.1	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-92.5	-14.6	-175.7	-75.8	178	178.2	176.4	0	114	C143 T149 P205 L206 P211	C143-K209 VanDerWaalsContact C-NZ 3.28Å; C143-K209 HydrophobicContact CB-CD 3.82Å; C143-K209 PolarHBondContact O-NZ 3.49Å; T149-K209 HydrophobicContact CG2-CB 4.08Å; P205-K209 PolarHBondContact O-N 3.12Å; L206-K209 PolarHBondContact O-N 3.13Å; K209-P211 VanDerWaalsContact O-CD 3.25Å; K209-P211 WeakPolarHBondContact O-CD 3.49Å
210	L	74.3	Confident	83.9	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.089	29%	0.286	C	S	.	.			trans	-115.9	57.5	-179.1	-67.7	176.6	0	0	0	114.3	T149 E150 F153 L206 K212 C213	T149-L210 HydrophobicContact CG2-CD1 4.09Å; T149-L210 HydrophobicContact CG2-CD2 3.98Å; T149-L210 HydrophobicContact CG2-CG 3.8Å; E150-L210 HydrophobicContact CG-CD2 4.22Å; F153-L210 HydrophobicContact CB-CD1 3.43Å; F153-L210 VanDerWaalsContact CB-CD1 3.43Å; F153-L210 HydrophobicContact CD2-CD1 3.83Å; F153-L210 HydrophobicContact CG-CD1 3.68Å; L206-L210 HydrophobicContact CD1-CD1 3.59Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 PolarHBondContact O-N 3.31Å; L210-K212 PolarHBondContact O-N 3.26Å; L210-C213 HydrophobicContact CB-CB 4.34Å; L210-C213 PolarHBondContact O-N 2.85Å
211	P	65.1	Low	84.1	Confident	111 Å²	111	53.3 Å²	53.3	72%	0.721	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.1	178.9	28.2	-35.9	0	0	0	113.7	K209	K209-P211 VanDerWaalsContact O-CD 3.25Å; K209-P211 WeakPolarHBondContact O-CD 3.49Å
212	K	68.8	Low	84.2	Confident	206 Å²	206	53.6 Å²	53.6	90%	0.896	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-23.6	179.2	-66.9	-174.8	177.9	-178.7	0	114.3	L210	L210-K212 PolarHBondContact O-N 3.26Å
213	C	65.4	Low	84.3	Confident	63 Å²	63	54.3 Å²	54.3	43%	0.426	27%	0.27	S	S	.	.	S	Bend	trans	-95.9	3.4	-173.5	-59.6	0	0	0	0	113.3	F153 L210	F153-C213 HydrophobicContact CD1-CB 4.46Å; F153-C213 HydrophobicContact CE1-CB 3.97Å; F153-C213 HydrophobicContact CZ-CB 4.01Å; L210-C213 HydrophobicContact CB-CB 4.34Å; L210-C213 PolarHBondContact O-N 2.85Å
214	G	70.8	Confident	84.5	Confident	29 Å²	29	54.3 Å²	54.3	30%	0.299	27%	0.269	S	S	.	.			trans	78.3	167.1	-167.4	0	0	0	0	0	112.1
215	T	85.5	Confident	84.8	Confident	57 Å²	57	53.2 Å²	53.2	35%	0.35	26%	0.263	S	S	.	.			trans	-75.1	158.3	175.8	58.5	0	0	0	0	111.2	D207 W217 H218 M219	D207-T215 WeakPolarHBondContact OD1-CA 3.44Å; D207-T215 VanDerWaalsContact OD1-CB 3.23Å; D207-T215 WeakPolarHBondContact OD1-CB 3.24Å; T215-W217 PolarHBondContact O-N 3.24Å; T215-H218 WeakPolarHBondContact O-CA 3.4Å; T215-H218 WeakPolarHBondContact O-CB 3.38Å; T215-H218 PolarHBondContact O-N 2.92Å; T215-H218 PolarHBondContact OG1-N 3.27Å; T215-M219 PolarHBondContact O-N 2.74Å
216	I	89.9	Confident	85.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-32.9	173.8	-61.9	177.6	0	0	0	110.9	L156 I199 R200 F203 D207 M219 G220	L156-I216 HydrophobicContact CD2-CD1 4.13Å; L156-I216 HydrophobicContact CD2-CG2 4.32Å; I199-I216 HydrophobicContact CG2-CG2 4.19Å; R200-I216 HydrophobicContact CB-CG2 4.48Å; F203-I216 HydrophobicContact CB-CD1 3.35Å; F203-I216 HydrophobicContact CG-CD1 4.48Å; F203-I216 WeakPolarHBondContact O-CD1 3.27Å; D207-I216 HydrophobicContact CB-CD1 4.01Å; D207-I216 HydrophobicContact CB-CG1 4.21Å; D207-I216 PolarHBondContact OD1-N 3.15Å; I216-M219 HydrophobicContact CG2-CE 4.46Å; I216-G220 PolarHBondContact O-N 2.94Å
217	W	90.6	Very high	85.4	Confident	76 Å²	76	58.7 Å²	58.7	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-47.3	171.5	-176.5	-99.8	0	0	0	112.2	C193 M196 T215 G220 L221	C193-W217 HydrophobicContact CB-CH2 3.96Å; M196-W217 HydrophobicContact CB-CE3 4.12Å; M196-W217 HydrophobicContact CB-CZ3 4.06Å; T215-W217 PolarHBondContact O-N 3.24Å; W217-G220 PolarHBondContact O-N 2.96Å; W217-L221 HydrophobicContact CZ2-CD2 4.41Å; W217-L221 WeakPolarHBondContact O-CG 3.23Å; W217-L221 PolarHBondContact O-N 3.19Å
218	H	90	Very high	85.9	Confident	91 Å²	91	57.6 Å²	57.6	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-40.1	177.7	-172.4	74.5	0	0	0	112.3	T215 G220 L221 K222	T215-H218 WeakPolarHBondContact O-CA 3.4Å; T215-H218 WeakPolarHBondContact O-CB 3.38Å; T215-H218 PolarHBondContact O-N 2.92Å; T215-H218 PolarHBondContact OG1-N 3.27Å; H218-G220 VanDerWaalsContact C-N 3.34Å; H218-G220 PolarHBondContact O-N 3.21Å; H218-L221 PolarHBondContact O-N 3.42Å; H218-K222 WeakPolarHBondContact O-CG 3.4Å; H218-K222 PolarHBondContact O-N 3.25Å
219	M	91.3	Very high	86.3	Confident	15 Å²	15	49 Å²	49	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-47.3	170.5	177.9	-132	70.8	0	0	110.9	F153 S157 C160 M196 T215 I216 L221 K222 T223	F153-M219 HydrophobicContact CZ-CB 4.14Å; F153-M219 HydrophobicContact CZ-CG 4.11Å; S157-M219 PolarHBondContact OG-SD 3.08Å; S157-M219 VanDerWaalsContact OG-SD 3.39Å; C160-M219 HydrophobicContact CB-CE 3.89Å; M196-M219 HydrophobicContact CE-CE 4.46Å; M196-M219 HydrophobicContact SD-CE 4.19Å; T215-M219 PolarHBondContact O-N 2.74Å; I216-M219 HydrophobicContact CG2-CE 4.46Å; M219-L221 PolarHBondContact O-N 2.82Å; M219-K222 PolarHBondContact O-N 3.31Å; M219-T223 PolarHBondContact O-N 2.88Å; M219-T223 PolarHBondContact O-OG1 2.94Å
220	G	92.9	Very high	86.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-45.8	176.5	0	0	0	0	0	112.7	F192 I216 W217 H218 K222 T223 F224	F192-G220 VanDerWaalsContact CE1-O 3.27Å; F192-G220 WeakPolarHBondContact CE1-O 3.49Å; F192-G220 VanDerWaalsContact CZ-O 3.31Å; F192-G220 WeakPolarHBondContact CZ-O 3.45Å; I216-G220 PolarHBondContact O-N 2.94Å; W217-G220 PolarHBondContact O-N 2.96Å; H218-G220 VanDerWaalsContact C-N 3.34Å; H218-G220 PolarHBondContact O-N 3.21Å; G220-K222 PolarHBondContact O-N 2.84Å; G220-T223 PolarHBondContact O-N 3.27Å; G220-F224 PolarHBondContact O-N 3.29Å
221	L	93.3	Very high	87.6	Confident	20 Å²	20	49.7 Å²	49.7	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-45.3	174.8	-66	179.2	0	0	0	112	W189 W217 H218 M219 T223 F224 E225 T269 V270	W189-L221 HydrophobicContact CH2-CD2 3.62Å; W189-L221 HydrophobicContact CZ3-CD2 4.15Å; W217-L221 HydrophobicContact CZ2-CD2 4.41Å; W217-L221 WeakPolarHBondContact O-CG 3.23Å; W217-L221 PolarHBondContact O-N 3.19Å; H218-L221 PolarHBondContact O-N 3.42Å; M219-L221 PolarHBondContact O-N 2.82Å; L221-T223 PolarHBondContact O-N 3.31Å; L221-F224 PolarHBondContact O-N 2.6Å; L221-E225 WeakPolarHBondContact O-CB 3.45Å; L221-E225 PolarHBondContact O-N 3.01Å; L221-T269 HydrophobicContact CD2-CG2 4.05Å; L221-V270 HydrophobicContact CD2-CG2 4.12Å
222	K	91.9	Very high	88.9	Confident	81 Å²	81	54.6 Å²	54.6	35%	0.352	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-34.6	178.4	-76.5	-75.4	160.8	-159.1	0	112.8	H218 M219 G220 E225 N226	H218-K222 WeakPolarHBondContact O-CG 3.4Å; H218-K222 PolarHBondContact O-N 3.25Å; M219-K222 PolarHBondContact O-N 3.31Å; G220-K222 PolarHBondContact O-N 2.84Å; K222-E225 WeakPolarHBondContact CD-OE2 3.47Å; K222-E225 VanDerWaalsContact CE-OE2 3.28Å; K222-E225 WeakPolarHBondContact CE-OE2 3.33Å; K222-E225 IonicContact NZ-OE1 3.79Å; K222-E225 PolarHBondContact NZ-OE1 3.48Å; K222-E225 IonicContact NZ-OE2 3.67Å; K222-E225 PolarHBondContact NZ-OE2 3.45Å; K222-N226 WeakPolarHBondContact O-CB 3.4Å; K222-N226 VanDerWaalsContact O-CG 3.27Å; K222-N226 PolarHBondContact O-N 3.5Å; K222-N226 PolarHBondContact O-ND2 3.41Å
223	T	93.8	Very high	89.9	Confident	17 Å²	17	47.6 Å²	47.6	10%	0.104	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-43.6	171.8	-64.1	0	0	0	0	111.2	R161 A164 M219 G220 L221 V227	R161-T223 HydrophobicContact CB-CG2 4.35Å; A164-T223 HydrophobicContact CB-CG2 3.69Å; M219-T223 PolarHBondContact O-N 2.88Å; M219-T223 PolarHBondContact O-OG1 2.94Å; G220-T223 PolarHBondContact O-N 3.27Å; L221-T223 PolarHBondContact O-N 3.31Å; T223-V227 HydrophobicContact CG2-CG2 4.15Å; T223-V227 VanDerWaalsContact O-CB 3.3Å; T223-V227 WeakPolarHBondContact O-CB 3.18Å; T223-V227 WeakPolarHBondContact O-CG2 3.4Å; T223-V227 PolarHBondContact O-N 3.44Å
224	F	95.5	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-64.7	-40.5	176.8	-162.6	-88.2	0	0	0	112.3	I188 W189 F192 G220 L221 I228 L229 M266 V270	I188-F224 HydrophobicContact CG2-CE2 4.37Å; W189-F224 HydrophobicContact CB-CZ 4.05Å; W189-F224 HydrophobicContact CD2-CZ 4.49Å; W189-F224 AromaticContact CE3-CD1 3.82Å; W189-F224 HydrophobicContact CE3-CD1 3.82Å; W189-F224 HydrophobicContact CE3-CD2 4.11Å; W189-F224 AromaticContact CE3-CE1 3.64Å; W189-F224 HydrophobicContact CE3-CE1 3.64Å; W189-F224 AromaticContact CE3-CE2 3.96Å; W189-F224 HydrophobicContact CE3-CE2 3.96Å; W189-F224 HydrophobicContact CE3-CG 4.06Å; W189-F224 AromaticContact CE3-CZ 3.73Å; W189-F224 HydrophobicContact CE3-CZ 3.73Å; W189-F224 AromaticContact CZ3-CD1 3.9Å; W189-F224 HydrophobicContact CZ3-CD1 3.9Å; W189-F224 HydrophobicContact CZ3-CD2 4.44Å; W189-F224 HydrophobicContact CZ3-CE1 4.19Å; W189-F224 HydrophobicContact CZ3-CG 4.05Å; F192-F224 HydrophobicContact CB-CD2 4.24Å; F192-F224 HydrophobicContact CB-CE2 4.21Å; F192-F224 HydrophobicContact CD1-CB 4.31Å; F192-F224 AromaticContact CD1-CD2 3.64Å; F192-F224 HydrophobicContact CD1-CD2 3.64Å; F192-F224 HydrophobicContact CD1-CE2 4.39Å; F192-F224 HydrophobicContact CD1-CG 4.29Å; F192-F224 HydrophobicContact CD2-CD2 4.03Å; F192-F224 HydrophobicContact CE1-CB 3.77Å; F192-F224 AromaticContact CE1-CD2 3.9Å; F192-F224 HydrophobicContact CE1-CD2 3.9Å; F192-F224 HydrophobicContact CE1-CG 4.24Å; F192-F224 HydrophobicContact CE2-CD2 4.26Å; F192-F224 AromaticContact CG-CD2 3.7Å; F192-F224 HydrophobicContact CG-CD2 3.7Å; F192-F224 HydrophobicContact CG-CE2 4.17Å; F192-F224 HydrophobicContact CZ-CB 4.03Å; F192-F224 HydrophobicContact CZ-CD2 4.18Å; G220-F224 PolarHBondContact O-N 3.29Å; L221-F224 PolarHBondContact O-N 2.6Å; F224-I228 HydrophobicContact CD2-CD1 3.69Å; F224-I228 HydrophobicContact CE1-CG2 4.34Å; F224-I228 HydrophobicContact CE2-CD1 3.61Å; F224-I228 HydrophobicContact CG-CD1 4.43Å; F224-I228 HydrophobicContact CZ-CD1 4.3Å; F224-I228 HydrophobicContact CZ-CG2 4.13Å; F224-I228 WeakPolarHBondContact O-CA 3.43Å; F224-I228 WeakPolarHBondContact O-CB 3.35Å; F224-I228 PolarHBondContact O-N 3.44Å; F224-I228 VanDerWaalsContact O-N 3.08Å; F224-L229 HydrophobicContact CD1-CD1 3.91Å; F224-L229 HydrophobicContact CD1-CD2 4.5Å; F224-L229 HydrophobicContact CD1-CG 3.81Å; F224-L229 HydrophobicContact CE1-CD1 3.98Å; F224-L229 HydrophobicContact CE1-CD2 3.9Å; F224-L229 HydrophobicContact CE1-CG 3.71Å; F224-L229 PolarHBondContact O-N 2.85Å; F224-M266 HydrophobicContact CE1-CG 4.41Å; F224-M266 HydrophobicContact CE1-SD 3.83Å; F224-M266 HydrophobicContact CZ-SD 4.21Å; F224-V270 HydrophobicContact CD1-CG2 4.35Å
225	E	95.1	Very high	92.2	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	23%	0.228	C	C	.	.	I	π-helix	trans	-56	-62.5	171.8	-175.6	177	174.2	0	0	111.3	L221 K222 L229 L230 V270 V272	L221-E225 WeakPolarHBondContact O-CB 3.45Å; L221-E225 PolarHBondContact O-N 3.01Å; K222-E225 WeakPolarHBondContact CD-OE2 3.47Å; K222-E225 VanDerWaalsContact CE-OE2 3.28Å; K222-E225 WeakPolarHBondContact CE-OE2 3.33Å; K222-E225 IonicContact NZ-OE1 3.79Å; K222-E225 PolarHBondContact NZ-OE1 3.48Å; K222-E225 IonicContact NZ-OE2 3.67Å; K222-E225 PolarHBondContact NZ-OE2 3.45Å; E225-L229 PolarHBondContact O-N 3.32Å; E225-L230 HydrophobicContact CG-CD1 4.08Å; E225-L230 HydrophobicContact CG-CG 4.16Å; E225-L230 WeakPolarHBondContact O-CB 3.45Å; E225-L230 WeakPolarHBondContact O-CG 3.39Å; E225-L230 PolarHBondContact O-N 2.99Å; E225-V270 HydrophobicContact CB-CG1 3.58Å; E225-V270 HydrophobicContact CG-CG1 4.1Å; E225-V272 HydrophobicContact CG-CG1 3.79Å
226	N	93.4	Very high	92.5	Very high	98 Å²	98	47 Å²	47	52%	0.524	23%	0.226	S	C	.	.	I	π-helix	trans	-72.3	-34.8	-168.3	-68.2	-26	0	0	0	113.3	K222	K222-N226 WeakPolarHBondContact O-CB 3.4Å; K222-N226 VanDerWaalsContact O-CG 3.27Å; K222-N226 PolarHBondContact O-N 3.5Å; K222-N226 PolarHBondContact O-ND2 3.41Å
227	V	94.8	Very high	92.7	Very high	24 Å²	24	50.6 Å²	50.6	15%	0.145	24%	0.239	C	C	.	.	I	π-helix	trans	-88.6	-44.3	-177.3	-176.6	0	0	0	0	111.6	R161 A164 L168 T223	R161-V227 HydrophobicContact CG-CG2 4.05Å; A164-V227 HydrophobicContact CB-CB 4.04Å; A164-V227 HydrophobicContact CB-CG1 3.95Å; A164-V227 HydrophobicContact CB-CG2 4.32Å; L168-V227 HydrophobicContact CB-CG1 4.46Å; L168-V227 HydrophobicContact CD2-CG1 4.37Å; T223-V227 HydrophobicContact CG2-CG2 4.15Å; T223-V227 VanDerWaalsContact O-CB 3.3Å; T223-V227 WeakPolarHBondContact O-CB 3.18Å; T223-V227 WeakPolarHBondContact O-CG2 3.4Å; T223-V227 PolarHBondContact O-N 3.44Å
228	I	95	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-100.9	-58.2	-170.5	-62.1	169.8	0	0	0	111.4	A164 L167 L168 L171 L185 F224 N231 V234	A164-I228 HydrophobicContact CB-CD1 4.32Å; L167-I228 HydrophobicContact CB-CD1 4.1Å; L167-I228 HydrophobicContact CD1-CD1 4.49Å; L168-I228 HydrophobicContact CB-CG1 4.39Å; L171-I228 HydrophobicContact CD1-CG2 3.99Å; L185-I228 HydrophobicContact CD1-CG2 4.26Å; F224-I228 HydrophobicContact CD2-CD1 3.69Å; F224-I228 HydrophobicContact CE1-CG2 4.34Å; F224-I228 HydrophobicContact CE2-CD1 3.61Å; F224-I228 HydrophobicContact CG-CD1 4.43Å; F224-I228 HydrophobicContact CZ-CD1 4.3Å; F224-I228 HydrophobicContact CZ-CG2 4.13Å; F224-I228 WeakPolarHBondContact O-CA 3.43Å; F224-I228 WeakPolarHBondContact O-CB 3.35Å; F224-I228 PolarHBondContact O-N 3.44Å; F224-I228 VanDerWaalsContact O-N 3.08Å; I228-N231 WeakPolarHBondContact O-CB 3.21Å; I228-N231 PolarHBondContact O-N 3.16Å; I228-V234 HydrophobicContact CG2-CG1 4.23Å; I228-V234 WeakPolarHBondContact O-CB 3.34Å; I228-V234 WeakPolarHBondContact O-CG1 3.49Å
229	L	93.5	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-75.7	-30.2	-171.2	-64.8	-177.4	0	0	0	114.5	F224 E225 N231 L238 M266 V270 V272 L276	F224-L229 HydrophobicContact CD1-CD1 3.91Å; F224-L229 HydrophobicContact CD1-CD2 4.5Å; F224-L229 HydrophobicContact CD1-CG 3.81Å; F224-L229 HydrophobicContact CE1-CD1 3.98Å; F224-L229 HydrophobicContact CE1-CD2 3.9Å; F224-L229 HydrophobicContact CE1-CG 3.71Å; F224-L229 PolarHBondContact O-N 2.85Å; E225-L229 PolarHBondContact O-N 3.32Å; L229-N231 VanDerWaalsContact C-N 3.35Å; L229-L238 HydrophobicContact CD2-CD2 3.78Å; L229-M266 HydrophobicContact CD2-CE 3.94Å; L229-M266 HydrophobicContact CD2-SD 4.36Å; L229-V270 HydrophobicContact CD1-CB 4.14Å; L229-V270 HydrophobicContact CD1-CG1 3.98Å; L229-V270 HydrophobicContact CD1-CG2 4.17Å; L229-V272 HydrophobicContact CD1-CG2 3.93Å; L229-L276 HydrophobicContact CB-CD1 4.45Å
230	L	90.5	Very high	93.2	Very high	78 Å²	78	45.8 Å²	45.8	41%	0.408	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.2	175.6	-65.6	-174.4	0	0	0	113.4	E225 R232 L276	E225-L230 HydrophobicContact CG-CD1 4.08Å; E225-L230 HydrophobicContact CG-CG 4.16Å; E225-L230 WeakPolarHBondContact O-CB 3.45Å; E225-L230 WeakPolarHBondContact O-CG 3.39Å; E225-L230 PolarHBondContact O-N 2.99Å; L230-R232 PolarHBondContact O-N 3.31Å; L230-L276 HydrophobicContact CD2-CD1 4.16Å; L230-L276 HydrophobicContact CD2-CD2 3.85Å; L230-L276 HydrophobicContact CD2-CG 4.46Å
231	N	93.3	Very high	93.2	Very high	49 Å²	49	45.9 Å²	45.9	26%	0.262	22%	0.223	S	C	.	.	S	Bend	trans	-62	127.4	170.1	-178.7	-76.6	0	0	0	110.1	L168 I228 L229 A233 V234 K235	L168-N231 HydrophobicContact CD1-CB 3.75Å; I228-N231 WeakPolarHBondContact O-CB 3.21Å; I228-N231 PolarHBondContact O-N 3.16Å; L229-N231 VanDerWaalsContact C-N 3.35Å; N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.13Å; N231-A233 PolarHBondContact OD1-N 3.46Å; N231-V234 HydrophobicContact CB-CB 4.26Å; N231-V234 HydrophobicContact CB-CG2 4.13Å; N231-V234 PolarHBondContact O-N 3.18Å; N231-V234 PolarHBondContact OD1-N 2.96Å; N231-K235 VanDerWaalsContact O-CB 3.25Å; N231-K235 WeakPolarHBondContact O-CB 3.23Å; N231-K235 PolarHBondContact O-N 3.47Å
232	R	91	Very high	93.2	Very high	213 Å²	213	44.9 Å²	44.9	80%	0.804	22%	0.218	S	C	*	.	H	α-helix	trans	-54.1	-42.1	-174	-175.3	179.4	177.4	-172.4	-0.9	113.8	L230 E236	L230-R232 PolarHBondContact O-N 3.31Å; R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 3.12Å
233	A	89.7	Confident	93.3	Very high	60 Å²	60	41.7 Å²	41.7	50%	0.496	21%	0.205	S	C	.	.	H	α-helix	trans	-71.6	-44.4	-177.3	0	0	0	0	0	111.5	N231 R237	N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.13Å; N231-A233 PolarHBondContact OD1-N 3.46Å; A233-R237 VanDerWaalsContact O-CB 3.24Å; A233-R237 WeakPolarHBondContact O-CB 3.29Å; A233-R237 PolarHBondContact O-N 3.48Å
234	V	92.5	Very high	93.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-45.5	176.5	-179.3	0	0	0	0	110.5	L168 W181 I228 N231 R237 L238	L168-V234 HydrophobicContact CD1-CG2 3.61Å; W181-V234 HydrophobicContact CH2-CB 4.47Å; W181-V234 HydrophobicContact CH2-CG1 3.92Å; W181-V234 HydrophobicContact CZ2-CB 4.47Å; W181-V234 HydrophobicContact CZ2-CG1 4.17Å; W181-V234 HydrophobicContact CZ2-CG2 4.46Å; I228-V234 HydrophobicContact CG2-CG1 4.23Å; I228-V234 WeakPolarHBondContact O-CB 3.34Å; I228-V234 WeakPolarHBondContact O-CG1 3.49Å; N231-V234 HydrophobicContact CB-CB 4.26Å; N231-V234 HydrophobicContact CB-CG2 4.13Å; N231-V234 PolarHBondContact O-N 3.18Å; N231-V234 PolarHBondContact OD1-N 2.96Å; V234-R237 PolarHBondContact O-N 2.83Å; V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 PolarHBondContact O-N 3.05Å
235	K	93	Very high	93.1	Very high	67 Å²	67	46.8 Å²	46.8	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-55.5	-59	179.3	176.8	-176.2	165.6	175.2	0	112.2	N231 R237 L238 V239 L276	N231-K235 VanDerWaalsContact O-CB 3.25Å; N231-K235 WeakPolarHBondContact O-CB 3.23Å; N231-K235 PolarHBondContact O-N 3.47Å; K235-R237 VanDerWaalsContact C-N 3.33Å; K235-R237 PolarHBondContact O-N 3.24Å; K235-L238 PolarHBondContact O-N 2.69Å; K235-V239 WeakPolarHBondContact O-CB 3.46Å; K235-V239 WeakPolarHBondContact O-CG2 3.33Å; K235-V239 PolarHBondContact O-N 3.43Å; K235-L276 HydrophobicContact CD-CD2 3.86Å; K235-L276 HydrophobicContact CG-CD2 4.29Å
236	E	92.3	Very high	93	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-42.8	-175.8	-65.1	-58.1	133.9	0	0	110.6	R232 L238 V239 D240 R280	R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 3.12Å; E236-L238 PolarHBondContact O-N 2.95Å; E236-V239 PolarHBondContact O-N 3.44Å; E236-D240 WeakPolarHBondContact O-CB 3.4Å; E236-D240 PolarHBondContact O-N 3.19Å; E236-R280 IonicContact OE2-CZ 3.5Å; E236-R280 IonicContact OE2-NH1 3.91Å; E236-R280 PolarHBondContact OE2-NH1 3.3Å; E236-R280 IonicContact OE2-NH2 2.64Å
237	R	92.6	Very high	92.9	Very high	76 Å²	76	46.7 Å²	46.7	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-37.4	179.6	-165.4	172.3	-172	-176.7	3.8	113.4	N174 N176 W181 A233 V234 K235 G241	N174-R237 PolarHBondContact O-NH1 2.98Å; N176-R237 PolarHBondContact O-NH2 2.68Å; W181-R237 HydrophobicContact CD2-CG 4.08Å; W181-R237 HydrophobicContact CE3-CB 4.49Å; W181-R237 HydrophobicContact CE3-CG 3.81Å; W181-R237 HydrophobicContact CH2-CB 3.88Å; W181-R237 HydrophobicContact CH2-CG 4.07Å; W181-R237 HydrophobicContact CZ2-CB 4.3Å; W181-R237 HydrophobicContact CZ2-CG 4.33Å; W181-R237 HydrophobicContact CZ3-CB 3.99Å; W181-R237 HydrophobicContact CZ3-CG 3.81Å; A233-R237 VanDerWaalsContact O-CB 3.24Å; A233-R237 WeakPolarHBondContact O-CB 3.29Å; A233-R237 PolarHBondContact O-N 3.48Å; V234-R237 PolarHBondContact O-N 2.83Å; K235-R237 VanDerWaalsContact C-N 3.33Å; K235-R237 PolarHBondContact O-N 3.24Å; R237-G241 WeakPolarHBondContact O-CA 3.43Å; R237-G241 PolarHBondContact O-N 2.79Å
238	L	94.5	Very high	92.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-48.2	172.8	171.7	58.2	0	0	0	111.3	W181 L182 L185 L229 V234 K235 E236 L242 L263 M266 L267	W181-L238 HydrophobicContact CH2-CB 4.35Å; W181-L238 HydrophobicContact CZ3-CB 4.24Å; L182-L238 HydrophobicContact CD2-CD1 3.76Å; L185-L238 HydrophobicContact CD2-CB 4.34Å; L185-L238 HydrophobicContact CD2-CD1 3.82Å; L185-L238 HydrophobicContact CD2-CD2 4.17Å; L185-L238 HydrophobicContact CD2-CG 4.33Å; L229-L238 HydrophobicContact CD2-CD2 3.78Å; V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 PolarHBondContact O-N 3.05Å; K235-L238 PolarHBondContact O-N 2.69Å; E236-L238 PolarHBondContact O-N 2.95Å; L238-L242 HydrophobicContact CD1-CD1 3.58Å; L238-L242 HydrophobicContact CD1-CG 3.99Å; L238-L242 HydrophobicContact CG-CD1 4.16Å; L238-L242 WeakPolarHBondContact O-CB 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.04Å; L238-L263 HydrophobicContact CD1-CD2 4.35Å; L238-M266 HydrophobicContact CD1-CE 4.41Å; L238-M266 HydrophobicContact CD2-CE 3.92Å; L238-L267 HydrophobicContact CD2-CD2 4.02Å
239	V	94.5	Very high	92.5	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-51.1	-177.7	174.9	0	0	0	0	110.3	K235 E236 G241 L242 L243 F277 R280	K235-V239 WeakPolarHBondContact O-CB 3.46Å; K235-V239 WeakPolarHBondContact O-CG2 3.33Å; K235-V239 PolarHBondContact O-N 3.43Å; E236-V239 PolarHBondContact O-N 3.44Å; V239-G241 PolarHBondContact O-N 3.38Å; V239-L242 PolarHBondContact O-N 3.16Å; V239-L243 HydrophobicContact CG1-CD1 3.89Å; V239-L243 WeakPolarHBondContact O-CB 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 3.38Å; V239-F277 HydrophobicContact CB-CD2 4.27Å; V239-F277 HydrophobicContact CG1-CD2 3.93Å; V239-F277 HydrophobicContact CG1-CE2 4.2Å; V239-F277 HydrophobicContact CG2-CD2 4.12Å; V239-R280 HydrophobicContact CG1-CB 4.44Å; V239-R280 HydrophobicContact CG1-CG 4.43Å
240	D	94	Very high	92.4	Very high	75 Å²	75	48.2 Å²	48.2	40%	0.401	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-37.6	178.8	-76.6	-36.7	0	0	0	112.6	E236 L243 W244 R280	E236-D240 WeakPolarHBondContact O-CB 3.4Å; E236-D240 PolarHBondContact O-N 3.19Å; D240-L243 PolarHBondContact O-N 2.88Å; D240-W244 VanDerWaalsContact O-CB 3.28Å; D240-W244 WeakPolarHBondContact O-CB 3.46Å; D240-W244 PolarHBondContact O-N 2.85Å; D240-R280 IonicContact OD1-CZ 2.73Å; D240-R280 VanDerWaalsContact OD1-CZ 3.32Å; D240-R280 IonicContact OD1-NE 3.7Å; D240-R280 IonicContact OD1-NH2 2.64Å; D240-R280 PolarHBondContact OD1-NH2 3.5Å; D240-R280 IonicContact OD2-CZ 3.38Å; D240-R280 IonicContact OD2-NH2 2.67Å; D240-R280 PolarHBondContact OD2-NH2 3.43Å
241	G	93.3	Very high	92.1	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-42.6	175.8	0	0	0	0	0	113.5	R237 V239 W244 L245	R237-G241 WeakPolarHBondContact O-CA 3.43Å; R237-G241 PolarHBondContact O-N 2.79Å; V239-G241 PolarHBondContact O-N 3.38Å; G241-W244 PolarHBondContact O-N 3.47Å; G241-L245 WeakPolarHBondContact O-CG 3.22Å; G241-L245 PolarHBondContact O-N 3.44Å
242	L	93.9	Very high	91.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-41.7	174.7	-84.3	171.9	0	0	0	112.2	L238 V239 W244 L245 V246 V260 L263 L267 F277	L238-L242 HydrophobicContact CD1-CD1 3.58Å; L238-L242 HydrophobicContact CD1-CG 3.99Å; L238-L242 HydrophobicContact CG-CD1 4.16Å; L238-L242 WeakPolarHBondContact O-CB 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.04Å; V239-L242 PolarHBondContact O-N 3.16Å; L242-W244 VanDerWaalsContact C-N 3.3Å; L242-W244 PolarHBondContact O-N 3.42Å; L242-L245 PolarHBondContact O-N 3Å; L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.39Å; L242-V260 HydrophobicContact CD2-CG1 4.43Å; L242-L263 HydrophobicContact CD1-CB 4.31Å; L242-L263 HydrophobicContact CD2-CB 3.87Å; L242-L263 HydrophobicContact CD2-CD1 3.87Å; L242-L263 HydrophobicContact CG-CD1 4.44Å; L242-L267 HydrophobicContact CD1-CD1 3.77Å; L242-F277 HydrophobicContact CB-CD2 4.48Å; L242-F277 HydrophobicContact CB-CE2 3.5Å; L242-F277 VanDerWaalsContact CB-CE2 3.5Å; L242-F277 HydrophobicContact CB-CZ 3.76Å; L242-F277 HydrophobicContact CD1-CD2 4.32Å; L242-F277 HydrophobicContact CD1-CE2 4.05Å; L242-F277 HydrophobicContact CG-CE2 4.44Å
243	L	94.1	Very high	91.3	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-38.1	175.7	-66.7	170.2	0	0	0	111.6	V239 D240 K247 F277 R280 F281 T284	V239-L243 HydrophobicContact CG1-CD1 3.89Å; V239-L243 WeakPolarHBondContact O-CB 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 3.38Å; D240-L243 PolarHBondContact O-N 2.88Å; L243-K247 WeakPolarHBondContact O-CB 3.46Å; L243-K247 PolarHBondContact O-N 3.49Å; L243-F277 HydrophobicContact CD2-CE1 4.35Å; L243-F277 HydrophobicContact CD2-CE2 3.98Å; L243-F277 HydrophobicContact CD2-CZ 3.6Å; L243-F277 HydrophobicContact CG-CE2 3.85Å; L243-F277 HydrophobicContact CG-CZ 3.94Å; L243-R280 HydrophobicContact CD1-CB 4.44Å; L243-R280 HydrophobicContact CD1-CG 3.79Å; L243-F281 HydrophobicContact CD2-CB 4.01Å; L243-F281 HydrophobicContact CD2-CD2 3.73Å; L243-F281 HydrophobicContact CD2-CG 4.29Å; L243-T284 HydrophobicContact CD2-CG2 4.43Å
244	W	92.6	Very high	90.6	Very high	117 Å²	117	50.9 Å²	50.9	44%	0.443	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-47.4	174.1	174.7	76	0	0	0	112.2	T178 L179 D240 G241 L242 V246 K247 C248	T178-W244 HydrophobicContact CG2-CE3 4.28Å; L179-W244 HydrophobicContact CB-CZ3 4.41Å; D240-W244 VanDerWaalsContact O-CB 3.28Å; D240-W244 WeakPolarHBondContact O-CB 3.46Å; D240-W244 PolarHBondContact O-N 2.85Å; G241-W244 PolarHBondContact O-N 3.47Å; L242-W244 VanDerWaalsContact C-N 3.3Å; L242-W244 PolarHBondContact O-N 3.42Å; W244-V246 VanDerWaalsContact C-N 3.32Å; W244-V246 PolarHBondContact O-N 3.21Å; W244-K247 WeakPolarHBondContact O-CA 3.2Å; W244-K247 WeakPolarHBondContact O-CB 3.23Å; W244-K247 PolarHBondContact O-N 3.03Å; W244-K247 VanDerWaalsContact O-N 3.07Å; W244-C248 VanDerWaalsContact CE2-SG 3.53Å; W244-C248 PolarHBondContact O-N 3.08Å
245	L	92.2	Very high	89.9	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-41.3	176.7	-74.9	178.6	0	0	0	112.7	L179 L182 G241 L242 E249 V260	L179-L245 HydrophobicContact CD1-CD2 4.11Å; L182-L245 HydrophobicContact CD1-CD1 3.54Å; L182-L245 HydrophobicContact CD1-CG 4.15Å; G241-L245 WeakPolarHBondContact O-CG 3.22Å; G241-L245 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3Å; L245-E249 PolarHBondContact O-N 3.18Å; L245-V260 HydrophobicContact CB-CG2 3.93Å; L245-V260 HydrophobicContact CD1-CG2 3.79Å; L245-V260 HydrophobicContact CG-CG2 4.46Å
246	V	92.8	Very high	89.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-41.9	174.5	176.4	0	0	0	0	110.6	L242 W244 C248 E249 R250 V260 F264 F281	L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.39Å; W244-V246 VanDerWaalsContact C-N 3.32Å; W244-V246 PolarHBondContact O-N 3.21Å; V246-C248 PolarHBondContact O-N 2.96Å; V246-E249 PolarHBondContact O-N 2.77Å; V246-R250 HydrophobicContact CG1-CG 4.39Å; V246-R250 VanDerWaalsContact O-CG 3.23Å; V246-R250 WeakPolarHBondContact O-CG 3.22Å; V246-R250 PolarHBondContact O-N 2.9Å; V246-V260 HydrophobicContact CG2-CG1 4.45Å; V246-F264 HydrophobicContact CG2-CE2 4.44Å; V246-F281 HydrophobicContact CG1-CE2 4.05Å; V246-F281 HydrophobicContact CG2-CE2 4.44Å
247	K	91.9	Very high	89.3	Confident	121 Å²	121	54 Å²	54	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-46.1	177.3	-176	-174.9	174.2	-173.4	0	112.2	L243 W244 E249 R250 S251 Y288	L243-K247 WeakPolarHBondContact O-CB 3.46Å; L243-K247 PolarHBondContact O-N 3.49Å; W244-K247 WeakPolarHBondContact O-CA 3.2Å; W244-K247 WeakPolarHBondContact O-CB 3.23Å; W244-K247 PolarHBondContact O-N 3.03Å; W244-K247 VanDerWaalsContact O-N 3.07Å; K247-E249 VanDerWaalsContact C-N 3.3Å; K247-E249 PolarHBondContact O-N 2.81Å; K247-R250 WeakPolarHBondContact O-CA 3.03Å; K247-R250 WeakPolarHBondContact O-CB 3.36Å; K247-R250 PolarHBondContact O-N 3.32Å; K247-S251 PolarHBondContact O-N 2.77Å; K247-S251 VanDerWaalsContact O-N 3.1Å; K247-S251 PolarHBondContact O-OG 2.89Å; K247-Y288 HydrophobicContact CG-CD2 4.44Å; K247-Y288 HydrophobicContact CG-CE2 4.36Å
248	C	89.5	Confident	89.1	Confident	12 Å²	12	55.6 Å²	55.6	8%	0.081	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-40.8	176	-73.6	0	0	0	0	112	W244 V246 R250 S251 G252 E253	W244-C248 VanDerWaalsContact CE2-SG 3.53Å; W244-C248 PolarHBondContact O-N 3.08Å; V246-C248 PolarHBondContact O-N 2.96Å; C248-R250 VanDerWaalsContact C-N 3.31Å; C248-R250 PolarHBondContact O-N 3.32Å; C248-S251 PolarHBondContact O-N 2.99Å; C248-S251 PolarHBondContact O-OG 3.42Å; C248-G252 PolarHBondContact O-N 3.41Å; C248-E253 HydrophobicContact CB-CB 4.16Å; C248-E253 VanDerWaalsContact CB-OE2 3.3Å; C248-E253 WeakPolarHBondContact CB-OE2 3.45Å; C248-E253 WeakPolarHBondContact O-CB 3.46Å; C248-E253 PolarHBondContact O-N 3.12Å; C248-E253 PolarHBondContact SG-OE2 3.29Å
249	E	90.2	Very high	89.1	Confident	14 Å²	14	55.8 Å²	55.8	7%	0.065	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-33	173.6	-162.4	-167.6	154.6	0	0	112.5	L245 V246 K247 S251 G252 S255 K257 R319 Y323	L245-E249 PolarHBondContact O-N 3.18Å; V246-E249 PolarHBondContact O-N 2.77Å; K247-E249 VanDerWaalsContact C-N 3.3Å; K247-E249 PolarHBondContact O-N 2.81Å; E249-S251 VanDerWaalsContact C-N 3.32Å; E249-G252 PolarHBondContact O-N 3.4Å; E249-S255 WeakPolarHBondContact CG-OG 3.47Å; E249-K257 WeakPolarHBondContact OE1-CE 3.41Å; E249-K257 IonicContact OE1-NZ 2.75Å; E249-K257 PolarHBondContact OE1-NZ 2.66Å; E249-R319 VanDerWaalsContact CD-NE 3.26Å; E249-R319 PolarHBondContact O-NH2 3.01Å; E249-R319 IonicContact OE1-CZ 3.36Å; E249-R319 IonicContact OE1-NE 2.99Å; E249-R319 PolarHBondContact OE1-NE 2.99Å; E249-R319 VanDerWaalsContact OE1-NE 3.09Å; E249-R319 IonicContact OE1-NH2 2.67Å; E249-R319 IonicContact OE2-NE 2.68Å; E249-Y323 WeakPolarHBondContact OE2-CE2 3.49Å; E249-Y323 PolarHBondContact OE2-OH 3.31Å
250	R	91.3	Very high	89	Confident	30 Å²	30	55.6 Å²	55.6	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-34.7	174.7	-56	-146.3	175.2	108.5	-0.1	112	V246 K247 C248 G252 T285 Y288 Y289 E316	V246-R250 HydrophobicContact CG1-CG 4.39Å; V246-R250 VanDerWaalsContact O-CG 3.23Å; V246-R250 WeakPolarHBondContact O-CG 3.22Å; V246-R250 PolarHBondContact O-N 2.9Å; K247-R250 WeakPolarHBondContact O-CA 3.03Å; K247-R250 WeakPolarHBondContact O-CB 3.36Å; K247-R250 PolarHBondContact O-N 3.32Å; C248-R250 VanDerWaalsContact C-N 3.31Å; C248-R250 PolarHBondContact O-N 3.32Å; R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 2.7Å; R250-T285 VanDerWaalsContact NH2-CG2 3.34Å; R250-T285 PolarHBondContact NH2-OG1 3.48Å; R250-Y288 HydrophobicContact CB-CE1 3.73Å; R250-Y288 HydrophobicContact CB-CE2 4.33Å; R250-Y288 WeakPolarHBondContact CB-OH 3.39Å; R250-Y288 VanDerWaalsContact CD-CE1 3.43Å; R250-Y288 HydrophobicContact CG-CE1 4.19Å; R250-Y289 WeakPolarHBondContact CD-OH 3.46Å; R250-E316 IonicContact CZ-OE1 3.96Å; R250-E316 IonicContact NE-OE1 2.79Å; R250-E316 PolarHBondContact NE-OE1 3.43Å; R250-E316 IonicContact NE-OE2 2.63Å; R250-E316 PolarHBondContact NE-OE2 2.91Å; R250-E316 VanDerWaalsContact NE-OE2 3.13Å; R250-E316 IonicContact NH2-OE1 3.72Å; R250-E316 PolarHBondContact NH2-OE1 3.24Å; R250-E316 IonicContact NH2-OE2 2.71Å
251	S	86.1	Confident	89	Confident	69 Å²	69	56.5 Å²	56.5	48%	0.483	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.9	174.2	50.1	0	0	0	0	114.8	K247 C248 E249	K247-S251 PolarHBondContact O-N 2.77Å; K247-S251 VanDerWaalsContact O-N 3.1Å; K247-S251 PolarHBondContact O-OG 2.89Å; C248-S251 PolarHBondContact O-N 2.99Å; C248-S251 PolarHBondContact O-OG 3.42Å; E249-S251 VanDerWaalsContact C-N 3.32Å
252	G	82.6	Confident	89	Confident	66 Å²	66	57.9 Å²	57.9	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	10.2	175.9	0	0	0	0	0	115.4	C248 E249 R250	C248-G252 PolarHBondContact O-N 3.41Å; E249-G252 PolarHBondContact O-N 3.4Å; R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 2.7Å
253	E	84.1	Confident	89.1	Confident	113 Å²	113	57.9 Å²	57.9	53%	0.528	30%	0.302	S	S	.	.			trans	-73.8	149.2	173.3	-60.2	175.3	-171.6	0	0	110.8	C248 S255	C248-E253 HydrophobicContact CB-CB 4.16Å; C248-E253 VanDerWaalsContact CB-OE2 3.3Å; C248-E253 WeakPolarHBondContact CB-OE2 3.45Å; C248-E253 WeakPolarHBondContact O-CB 3.46Å; C248-E253 PolarHBondContact O-N 3.12Å; C248-E253 PolarHBondContact SG-OE2 3.29Å; E253-S255 PolarHBondContact O-N 2.99Å
254	Q	74.4	Confident	89.1	Confident	208 Å²	208	57.2 Å²	57.2	97%	0.972	30%	0.299	S	S	*	.			trans	-71.8	100.5	178.3	-70	-166.9	-4.1	0	0	111.1
255	S	78.2	Confident	89.1	Confident	21 Å²	21	57.2 Å²	57.2	15%	0.147	30%	0.304	C	S	.	.			trans	-92.3	146.3	174.1	72.5	0	0	0	0	112.3	E249 E253 K257	E249-S255 WeakPolarHBondContact CG-OG 3.47Å; E253-S255 PolarHBondContact O-N 2.99Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 3.41Å
256	N	84.3	Confident	89.3	Confident	81 Å²	81	56.9 Å²	56.9	43%	0.433	30%	0.302	S	S	.	.			trans	-75.7	84.3	172	-174.7	-16.8	0	0	0	110.1	V258 L259 V260	N256-V258 PolarHBondContact O-N 3.14Å; N256-V258 VanDerWaalsContact O-N 3.14Å; N256-V258 PolarHBondContact OD1-N 3.24Å; N256-L259 HydrophobicContact CB-CB 4.02Å; N256-L259 WeakPolarHBondContact O-CB 3.28Å; N256-L259 PolarHBondContact O-N 3.35Å; N256-L259 VanDerWaalsContact O-N 3.1Å; N256-L259 PolarHBondContact OD1-N 2.76Å; N256-V260 PolarHBondContact O-N 3.19Å; N256-V260 VanDerWaalsContact O-N 3.11Å
257	K	88.1	Confident	89.3	Confident	98 Å²	98	56.9 Å²	56.9	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-57.5	-28.4	-178.5	-49.9	-156.7	-174.4	-152.7	0	113.4	E249 S255 K261 F322 Y323	E249-K257 WeakPolarHBondContact OE1-CE 3.41Å; E249-K257 IonicContact OE1-NZ 2.75Å; E249-K257 PolarHBondContact OE1-NZ 2.66Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 3.41Å; K257-K261 VanDerWaalsContact O-CB 3.27Å; K257-K261 WeakPolarHBondContact O-CB 3.47Å; K257-K261 PolarHBondContact O-N 3.02Å; K257-F322 HydrophobicContact CB-CE1 3.96Å; K257-Y323 HydrophobicContact CB-CE1 4.19Å; K257-Y323 WeakPolarHBondContact CG-OH 3.47Å; K257-Y323 WeakPolarHBondContact O-CE1 3.41Å
258	V	89.5	Confident	89.4	Confident	110 Å²	110	53.8 Å²	53.8	67%	0.667	30%	0.295	S	S	*	.	H	α-helix	trans	-70.1	-44.6	177.7	-177	0	0	0	0	110.6	N256 K261 S262	N256-V258 PolarHBondContact O-N 3.14Å; N256-V258 VanDerWaalsContact O-N 3.14Å; N256-V258 PolarHBondContact OD1-N 3.24Å; V258-K261 PolarHBondContact O-N 2.89Å; V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3Å
259	L	93.6	Very high	89.5	Confident	8 Å²	8	55 Å²	55	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-48.3	174.1	175.9	63	0	0	0	111.3	L179 L182 T183 N186 N256 K261 S262 L263	L179-L259 HydrophobicContact CD1-CD2 3.8Å; L182-L259 HydrophobicContact CB-CD2 4.42Å; T183-L259 WeakPolarHBondContact OG1-CD2 3.44Å; N186-L259 HydrophobicContact CB-CD1 3.49Å; N186-L259 VanDerWaalsContact CB-CD1 3.49Å; N256-L259 HydrophobicContact CB-CB 4.02Å; N256-L259 WeakPolarHBondContact O-CB 3.28Å; N256-L259 PolarHBondContact O-N 3.35Å; N256-L259 VanDerWaalsContact O-N 3.1Å; N256-L259 PolarHBondContact OD1-N 2.76Å; L259-K261 PolarHBondContact O-N 3.16Å; L259-S262 PolarHBondContact O-N 2.7Å; L259-L263 HydrophobicContact CD1-CD1 3.9Å; L259-L263 HydrophobicContact CD1-CG 4.17Å; L259-L263 HydrophobicContact CG-CD1 3.97Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 2.79Å
260	V	92.9	Very high	89.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-49.6	179.1	177.6	0	0	0	0	110.5	L242 L245 V246 N256 S262 L263 F264 Y323	L242-V260 HydrophobicContact CD2-CG1 4.43Å; L245-V260 HydrophobicContact CB-CG2 3.93Å; L245-V260 HydrophobicContact CD1-CG2 3.79Å; L245-V260 HydrophobicContact CG-CG2 4.46Å; V246-V260 HydrophobicContact CG2-CG1 4.45Å; N256-V260 PolarHBondContact O-N 3.19Å; N256-V260 VanDerWaalsContact O-N 3.11Å; V260-S262 VanDerWaalsContact C-N 3.35Å; V260-S262 PolarHBondContact O-N 3.29Å; V260-L263 PolarHBondContact O-N 3.36Å; V260-F264 HydrophobicContact CG1-CD2 3.67Å; V260-F264 HydrophobicContact CG1-CE2 3.49Å; V260-F264 VanDerWaalsContact CG1-CE2 3.49Å; V260-F264 WeakPolarHBondContact O-CD2 3.25Å; V260-F264 PolarHBondContact O-N 2.93Å; V260-Y323 HydrophobicContact CB-CD1 4.21Å; V260-Y323 HydrophobicContact CB-CE1 3.69Å; V260-Y323 HydrophobicContact CG1-CD1 3.69Å; V260-Y323 HydrophobicContact CG1-CD2 4.08Å; V260-Y323 HydrophobicContact CG1-CE1 3.5Å; V260-Y323 HydrophobicContact CG1-CE2 3.88Å; V260-Y323 HydrophobicContact CG1-CG 4.01Å
261	K	93.2	Very high	89.6	Confident	93 Å²	93	58 Å²	58	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-40.9	176.5	-175.2	171.5	-177	169.5	0	113	K257 V258 L259 F264 H265 F322 Y323	K257-K261 VanDerWaalsContact O-CB 3.27Å; K257-K261 WeakPolarHBondContact O-CB 3.47Å; K257-K261 PolarHBondContact O-N 3.02Å; V258-K261 PolarHBondContact O-N 2.89Å; L259-K261 PolarHBondContact O-N 3.16Å; K261-F264 PolarHBondContact O-N 3.3Å; K261-H265 WeakPolarHBondContact O-CB 3.28Å; K261-H265 PolarHBondContact O-N 2.66Å; K261-F322 HydrophobicContact CB-CE1 4.1Å; K261-F322 HydrophobicContact CD-CD1 4.27Å; K261-F322 HydrophobicContact CD-CE1 3.76Å; K261-F322 HydrophobicContact CD-CE2 4.14Å; K261-F322 HydrophobicContact CD-CZ 3.69Å; K261-F322 WeakPolarHBondContact CD-O 3.45Å; K261-F322 WeakPolarHBondContact CE-O 3.36Å; K261-F322 HydrophobicContact CG-CE1 4.47Å; K261-Y323 HydrophobicContact CB-CD1 4.03Å; K261-Y323 HydrophobicContact CB-CE1 4.42Å
262	S	94.4	Very high	89.9	Confident	31 Å²	31	54.8 Å²	54.8	22%	0.217	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-41.3	178.6	-169.9	0	0	0	0	112.2	N186 V258 L259 V260 H265 M266	N186-S262 WeakPolarHBondContact OD1-CB 3.3Å; N186-S262 PolarHBondContact OD1-OG 2.73Å; V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3Å; L259-S262 PolarHBondContact O-N 2.7Å; V260-S262 VanDerWaalsContact C-N 3.35Å; V260-S262 PolarHBondContact O-N 3.29Å; S262-H265 PolarHBondContact O-N 2.7Å; S262-M266 PolarHBondContact O-N 3.03Å
263	L	95.6	Very high	90.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-37.6	176.2	-70.5	169	0	0	0	112.8	L182 L185 N186 L238 L242 L259 V260 M266 L267	L182-L263 HydrophobicContact CB-CD1 4.13Å; L182-L263 HydrophobicContact CD2-CD1 4.08Å; L185-L263 HydrophobicContact CD2-CD2 4.48Å; N186-L263 HydrophobicContact CB-CD2 4.06Å; N186-L263 HydrophobicContact CB-CG 4.44Å; L238-L263 HydrophobicContact CD1-CD2 4.35Å; L242-L263 HydrophobicContact CD1-CB 4.31Å; L242-L263 HydrophobicContact CD2-CB 3.87Å; L242-L263 HydrophobicContact CD2-CD1 3.87Å; L242-L263 HydrophobicContact CG-CD1 4.44Å; L259-L263 HydrophobicContact CD1-CD1 3.9Å; L259-L263 HydrophobicContact CD1-CG 4.17Å; L259-L263 HydrophobicContact CG-CD1 3.97Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 2.79Å; V260-L263 PolarHBondContact O-N 3.36Å; L263-M266 HydrophobicContact CD2-CE 3.78Å; L263-M266 WeakPolarHBondContact O-CB 3.36Å; L263-M266 PolarHBondContact O-N 3.49Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.84Å
264	F	93.8	Very high	90.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-43.8	169.2	-82.8	-67.4	0	0	0	111.6	V246 V260 K261 M266 L267 S268 Y273 F277 F281 Y323 V324	V246-F264 HydrophobicContact CG2-CE2 4.44Å; V260-F264 HydrophobicContact CG1-CD2 3.67Å; V260-F264 HydrophobicContact CG1-CE2 3.49Å; V260-F264 VanDerWaalsContact CG1-CE2 3.49Å; V260-F264 WeakPolarHBondContact O-CD2 3.25Å; V260-F264 PolarHBondContact O-N 2.93Å; K261-F264 PolarHBondContact O-N 3.3Å; F264-M266 VanDerWaalsContact C-N 3.32Å; F264-M266 PolarHBondContact O-N 3.21Å; F264-L267 PolarHBondContact O-N 2.67Å; F264-S268 PolarHBondContact O-N 3.26Å; F264-S268 PolarHBondContact O-OG 3.04Å; F264-S268 VanDerWaalsContact O-OG 3.11Å; F264-Y273 HydrophobicContact CD1-CD2 4.15Å; F264-Y273 AromaticContact CD1-CE2 3.95Å; F264-Y273 HydrophobicContact CD1-CE2 3.95Å; F264-Y273 HydrophobicContact CE1-CD2 4.41Å; F264-Y273 AromaticContact CE1-CE2 3.88Å; F264-Y273 HydrophobicContact CE1-CE2 3.88Å; F264-F277 AromaticContact CE1-CD1 3.63Å; F264-F277 HydrophobicContact CE1-CD1 3.63Å; F264-F277 AromaticContact CE1-CE1 3.29Å; F264-F277 HydrophobicContact CE1-CE1 3.29Å; F264-F277 HydrophobicContact CE1-CZ 4.09Å; F264-F277 HydrophobicContact CZ-CD1 4.3Å; F264-F277 AromaticContact CZ-CE1 3.49Å; F264-F277 HydrophobicContact CZ-CE1 3.49Å; F264-F277 VanDerWaalsContact CZ-CE1 3.49Å; F264-F277 AromaticContact CZ-CZ 3.96Å; F264-F277 HydrophobicContact CZ-CZ 3.96Å; F264-F281 HydrophobicContact CZ-CE1 4.29Å; F264-F281 HydrophobicContact CZ-CZ 4.49Å; F264-Y323 WeakPolarHBondContact CB-O 3.36Å; F264-Y323 HydrophobicContact CD2-CD1 4.36Å; F264-Y323 HydrophobicContact CD2-CG 4.02Å; F264-Y323 HydrophobicContact CE2-CD2 4.28Å; F264-Y323 HydrophobicContact CE2-CG 4.06Å; F264-V324 HydrophobicContact CB-CG1 4.39Å; F264-V324 HydrophobicContact CD1-CG1 3.38Å; F264-V324 HydrophobicContact CE1-CG1 3.64Å; F264-V324 HydrophobicContact CG-CG1 3.88Å; F264-V324 HydrophobicContact CZ-CG1 4.32Å
265	H	93.2	Very high	91.3	Very high	117 Å²	117	44 Å²	44	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-37.4	176.1	-177.1	61	0	0	0	112.6	K261 S262 S268 T269	K261-H265 WeakPolarHBondContact O-CB 3.28Å; K261-H265 PolarHBondContact O-N 2.66Å; S262-H265 PolarHBondContact O-N 2.7Å; H265-S268 PolarHBondContact O-N 2.86Å; H265-T269 PolarHBondContact CE1-OG1 3.24Å; H265-T269 VanDerWaalsContact O-CB 3.26Å; H265-T269 WeakPolarHBondContact O-CB 3.31Å; H265-T269 PolarHBondContact O-N 3.41Å; H265-T269 PolarHBondContact O-OG1 3.1Å
266	M	95.2	Very high	91.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-53.8	169.9	174	-174.7	72.4	0	0	111.3	L185 W189 F224 L229 L238 S262 L263 F264 S268 T269 V270	L185-M266 HydrophobicContact CD2-CE 4.37Å; W189-M266 HydrophobicContact CB-CG 4.45Å; W189-M266 HydrophobicContact CB-SD 3.74Å; W189-M266 HydrophobicContact CD2-CB 4.05Å; W189-M266 HydrophobicContact CD2-CG 3.53Å; W189-M266 HydrophobicContact CD2-SD 3.97Å; W189-M266 HydrophobicContact CE3-CG 3.91Å; W189-M266 HydrophobicContact CE3-SD 4.32Å; W189-M266 HydrophobicContact CG-CB 4.08Å; W189-M266 HydrophobicContact CG-CG 3.77Å; W189-M266 HydrophobicContact CG-SD 3.7Å; W189-M266 HydrophobicContact CH2-CG 4.49Å; W189-M266 HydrophobicContact CZ2-CB 4.28Å; W189-M266 HydrophobicContact CZ2-CG 4.17Å; W189-M266 HydrophobicContact CZ3-CG 4.38Å; F224-M266 HydrophobicContact CE1-CG 4.41Å; F224-M266 HydrophobicContact CE1-SD 3.83Å; F224-M266 HydrophobicContact CZ-SD 4.21Å; L229-M266 HydrophobicContact CD2-CE 3.94Å; L229-M266 HydrophobicContact CD2-SD 4.36Å; L238-M266 HydrophobicContact CD1-CE 4.41Å; L238-M266 HydrophobicContact CD2-CE 3.92Å; S262-M266 PolarHBondContact O-N 3.03Å; L263-M266 HydrophobicContact CD2-CE 3.78Å; L263-M266 WeakPolarHBondContact O-CB 3.36Å; L263-M266 PolarHBondContact O-N 3.49Å; F264-M266 VanDerWaalsContact C-N 3.32Å; F264-M266 PolarHBondContact O-N 3.21Å; M266-S268 VanDerWaalsContact C-N 3.27Å; M266-S268 PolarHBondContact O-N 3.3Å; M266-T269 PolarHBondContact O-N 3.22Å; M266-V270 WeakPolarHBondContact O-CG2 3.37Å; M266-V270 PolarHBondContact O-N 2.84Å
267	L	94.3	Very high	92.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-37	-180	-71.4	172.9	0	0	0	112.7	L238 L242 L263 F264 S271 V272 Y273 F277	L238-L267 HydrophobicContact CD2-CD2 4.02Å; L242-L267 HydrophobicContact CD1-CD1 3.77Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.84Å; F264-L267 PolarHBondContact O-N 2.67Å; L267-S271 PolarHBondContact O-N 3.38Å; L267-V272 HydrophobicContact CD2-CG2 3.82Å; L267-V272 PolarHBondContact O-N 2.72Å; L267-Y273 PolarHBondContact O-N 2.85Å; L267-Y273 VanDerWaalsContact O-N 3.13Å; L267-F277 HydrophobicContact CD1-CB 4.15Å; L267-F277 HydrophobicContact CD1-CD2 4.5Å; L267-F277 HydrophobicContact CD1-CG 4.27Å
268	S	92.2	Very high	92.6	Very high	56 Å²	56	37 Å²	37	39%	0.392	22%	0.219	S	C	.	.	H	α-helix	trans	-71.2	-44.1	174.6	-58.8	0	0	0	0	112.3	F264 H265 M266 V270 S271	F264-S268 PolarHBondContact O-N 3.26Å; F264-S268 PolarHBondContact O-OG 3.04Å; F264-S268 VanDerWaalsContact O-OG 3.11Å; H265-S268 PolarHBondContact O-N 2.86Å; M266-S268 VanDerWaalsContact C-N 3.27Å; M266-S268 PolarHBondContact O-N 3.3Å; S268-V270 VanDerWaalsContact C-N 3.34Å; S268-V270 PolarHBondContact O-N 3.49Å; S268-S271 WeakPolarHBondContact O-CA 3.36Å; S268-S271 PolarHBondContact O-N 2.77Å
269	T	92.7	Very high	92.8	Very high	39 Å²	39	39.1 Å²	39.1	24%	0.239	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-38.4	-179.3	-59.1	0	0	0	0	111.9	W189 L221 H265 M266 S271	W189-T269 HydrophobicContact CH2-CG2 4.12Å; W189-T269 HydrophobicContact CZ2-CG2 4.04Å; L221-T269 HydrophobicContact CD2-CG2 4.05Å; H265-T269 PolarHBondContact CE1-OG1 3.24Å; H265-T269 VanDerWaalsContact O-CB 3.26Å; H265-T269 WeakPolarHBondContact O-CB 3.31Å; H265-T269 PolarHBondContact O-N 3.41Å; H265-T269 PolarHBondContact O-OG1 3.1Å; M266-T269 PolarHBondContact O-N 3.22Å; T269-S271 PolarHBondContact O-N 3.18Å
270	V	92.6	Very high	92.9	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.6	174.8	-174.4	0	0	0	0	111.9	W189 L221 F224 E225 L229 M266 S268 V272	W189-V270 HydrophobicContact CH2-CG2 3.56Å; W189-V270 HydrophobicContact CZ2-CG2 4.47Å; W189-V270 HydrophobicContact CZ3-CG2 3.64Å; L221-V270 HydrophobicContact CD2-CG2 4.12Å; F224-V270 HydrophobicContact CD1-CG2 4.35Å; E225-V270 HydrophobicContact CB-CG1 3.58Å; E225-V270 HydrophobicContact CG-CG1 4.1Å; L229-V270 HydrophobicContact CD1-CB 4.14Å; L229-V270 HydrophobicContact CD1-CG1 3.98Å; L229-V270 HydrophobicContact CD1-CG2 4.17Å; M266-V270 WeakPolarHBondContact O-CG2 3.37Å; M266-V270 PolarHBondContact O-N 2.84Å; S268-V270 VanDerWaalsContact C-N 3.34Å; S268-V270 PolarHBondContact O-N 3.49Å; V270-V272 VanDerWaalsContact C-N 3.32Å; V270-V272 HydrophobicContact CB-CG2 4.13Å; V270-V272 HydrophobicContact CG1-CG1 4.24Å; V270-V272 HydrophobicContact CG1-CG2 4.19Å; V270-V272 PolarHBondContact O-N 2.95Å
271	S	90.6	Very high	93	Very high	103 Å²	103	43.3 Å²	43.3	72%	0.72	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	30.1	178.5	-53.5	0	0	0	0	115.1	L267 S268 T269	L267-S271 PolarHBondContact O-N 3.38Å; S268-S271 WeakPolarHBondContact O-CA 3.36Å; S268-S271 PolarHBondContact O-N 2.77Å; T269-S271 PolarHBondContact O-N 3.18Å
272	V	92.3	Very high	93.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.223	C	C	.	.			trans	-113.1	-1.6	-178	-68.5	0	0	0	0	114.7	E225 L229 L267 V270 S274 S275 L276	E225-V272 HydrophobicContact CG-CG1 3.79Å; L229-V272 HydrophobicContact CD1-CG2 3.93Å; L267-V272 HydrophobicContact CD2-CG2 3.82Å; L267-V272 PolarHBondContact O-N 2.72Å; V270-V272 VanDerWaalsContact C-N 3.32Å; V270-V272 HydrophobicContact CB-CG2 4.13Å; V270-V272 HydrophobicContact CG1-CG1 4.24Å; V270-V272 HydrophobicContact CG1-CG2 4.19Å; V270-V272 PolarHBondContact O-N 2.95Å; V272-S274 PolarHBondContact O-N 3.5Å; V272-S275 PolarHBondContact O-N 2.87Å; V272-S275 PolarHBondContact O-OG 2.85Å; V272-S275 VanDerWaalsContact O-OG 3.1Å; V272-L276 HydrophobicContact CB-CD1 3.7Å; V272-L276 HydrophobicContact CB-CG 3.99Å; V272-L276 HydrophobicContact CG1-CD1 4.3Å; V272-L276 HydrophobicContact CG2-CD1 3.85Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.21Å
273	Y	92.4	Very high	93.2	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.059	25%	0.247	C	C	.	.	I	π-helix	trans	-50.8	-52.9	179.2	170.2	-99.9	0	0	0	113.2	F264 L267 S275 F277 E278 V324 A328	F264-Y273 HydrophobicContact CD1-CD2 4.15Å; F264-Y273 AromaticContact CD1-CE2 3.95Å; F264-Y273 HydrophobicContact CD1-CE2 3.95Å; F264-Y273 HydrophobicContact CE1-CD2 4.41Å; F264-Y273 AromaticContact CE1-CE2 3.88Å; F264-Y273 HydrophobicContact CE1-CE2 3.88Å; L267-Y273 PolarHBondContact O-N 2.85Å; L267-Y273 VanDerWaalsContact O-N 3.13Å; Y273-S275 PolarHBondContact O-N 2.93Å; Y273-F277 HydrophobicContact CD2-CB 4.41Å; Y273-F277 HydrophobicContact CD2-CD1 4.33Å; Y273-F277 AromaticContact CE2-CD1 3.91Å; Y273-F277 HydrophobicContact CE2-CD1 3.91Å; Y273-F277 PolarHBondContact O-N 3.23Å; Y273-E278 HydrophobicContact CD1-CB 4.26Å; Y273-E278 HydrophobicContact CE1-CB 3.8Å; Y273-E278 HydrophobicContact CE1-CG 3.95Å; Y273-E278 WeakPolarHBondContact CE1-OE1 3.38Å; Y273-E278 PolarHBondContact O-N 2.94Å; Y273-V324 HydrophobicContact CD2-CG1 4.49Å; Y273-V324 HydrophobicContact CE2-CG1 3.68Å; Y273-A328 HydrophobicContact CE1-CB 3.97Å
274	S	89.4	Confident	93.2	Very high	63 Å²	63	50.5 Å²	50.5	44%	0.441	26%	0.263	S	S	.	.	I	π-helix	trans	-70.5	-28.5	-177.1	-66.8	0	0	0	0	114.4	V272 E278	V272-S274 PolarHBondContact O-N 3.5Å; S274-E278 WeakPolarHBondContact CA-OE2 3.22Å; S274-E278 WeakPolarHBondContact CB-OE2 3.2Å; S274-E278 PolarHBondContact OG-OE2 3.11Å
275	S	89	Confident	93.3	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	26%	0.263	S	S	*	.	I	π-helix	trans	-86.1	-36.2	-179.3	57.9	0	0	0	0	113	V272 Y273	V272-S275 PolarHBondContact O-N 2.87Å; V272-S275 PolarHBondContact O-OG 2.85Å; V272-S275 VanDerWaalsContact O-OG 3.1Å; Y273-S275 PolarHBondContact O-N 2.93Å
276	L	89.7	Confident	93.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	25%	0.246	C	C	.	.	I	π-helix	trans	-98.1	-37.1	-175.7	-62.3	-177.1	0	0	0	114.5	L229 L230 K235 V272	L229-L276 HydrophobicContact CB-CD1 4.45Å; L230-L276 HydrophobicContact CD2-CD1 4.16Å; L230-L276 HydrophobicContact CD2-CD2 3.85Å; L230-L276 HydrophobicContact CD2-CG 4.46Å; K235-L276 HydrophobicContact CD-CD2 3.86Å; K235-L276 HydrophobicContact CG-CD2 4.29Å; V272-L276 HydrophobicContact CB-CD1 3.7Å; V272-L276 HydrophobicContact CB-CG 3.99Å; V272-L276 HydrophobicContact CG1-CD1 4.3Å; V272-L276 HydrophobicContact CG2-CD1 3.85Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.21Å
277	F	93.6	Very high	93.5	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	27%	0.267	C	S	.	.	I	π-helix	trans	-117.5	-51.1	-164.9	-167.3	-98.3	0	0	0	113.8	V239 L242 L243 F264 L267 Y273 K279 R280 F281	V239-F277 HydrophobicContact CB-CD2 4.27Å; V239-F277 HydrophobicContact CG1-CD2 3.93Å; V239-F277 HydrophobicContact CG1-CE2 4.2Å; V239-F277 HydrophobicContact CG2-CD2 4.12Å; L242-F277 HydrophobicContact CB-CD2 4.48Å; L242-F277 HydrophobicContact CB-CE2 3.5Å; L242-F277 VanDerWaalsContact CB-CE2 3.5Å; L242-F277 HydrophobicContact CB-CZ 3.76Å; L242-F277 HydrophobicContact CD1-CD2 4.32Å; L242-F277 HydrophobicContact CD1-CE2 4.05Å; L242-F277 HydrophobicContact CG-CE2 4.44Å; L243-F277 HydrophobicContact CD2-CE1 4.35Å; L243-F277 HydrophobicContact CD2-CE2 3.98Å; L243-F277 HydrophobicContact CD2-CZ 3.6Å; L243-F277 HydrophobicContact CG-CE2 3.85Å; L243-F277 HydrophobicContact CG-CZ 3.94Å; F264-F277 AromaticContact CE1-CD1 3.63Å; F264-F277 HydrophobicContact CE1-CD1 3.63Å; F264-F277 AromaticContact CE1-CE1 3.29Å; F264-F277 HydrophobicContact CE1-CE1 3.29Å; F264-F277 HydrophobicContact CE1-CZ 4.09Å; F264-F277 HydrophobicContact CZ-CD1 4.3Å; F264-F277 AromaticContact CZ-CE1 3.49Å; F264-F277 HydrophobicContact CZ-CE1 3.49Å; F264-F277 VanDerWaalsContact CZ-CE1 3.49Å; F264-F277 AromaticContact CZ-CZ 3.96Å; F264-F277 HydrophobicContact CZ-CZ 3.96Å; L267-F277 HydrophobicContact CD1-CB 4.15Å; L267-F277 HydrophobicContact CD1-CD2 4.5Å; L267-F277 HydrophobicContact CD1-CG 4.27Å; Y273-F277 HydrophobicContact CD2-CB 4.41Å; Y273-F277 HydrophobicContact CD2-CD1 4.33Å; Y273-F277 AromaticContact CE2-CD1 3.91Å; Y273-F277 HydrophobicContact CE2-CD1 3.91Å; Y273-F277 PolarHBondContact O-N 3.23Å; F277-K279 PolarHBondContact O-N 3.48Å; F277-R280 PolarHBondContact O-N 2.86Å; F277-F281 HydrophobicContact CD1-CB 3.66Å; F277-F281 HydrophobicContact CD1-CD1 4.12Å; F277-F281 HydrophobicContact CD1-CG 4.04Å; F277-F281 HydrophobicContact CE1-CB 3.39Å; F277-F281 AromaticContact CE1-CD1 3.63Å; F277-F281 HydrophobicContact CE1-CD1 3.63Å; F277-F281 AromaticContact CE1-CD2 3.92Å; F277-F281 HydrophobicContact CE1-CD2 3.92Å; F277-F281 HydrophobicContact CE1-CE1 4.34Å; F277-F281 AromaticContact CE1-CG 3.38Å; F277-F281 HydrophobicContact CE1-CG 3.38Å; F277-F281 HydrophobicContact CZ-CB 4.09Å; F277-F281 HydrophobicContact CZ-CD2 4.29Å; F277-F281 HydrophobicContact CZ-CG 4.14Å; F277-F281 PolarHBondContact O-N 3.02Å
278	E	94.6	Very high	93.5	Very high	30 Å²	30	51.8 Å²	51.8	14%	0.14	28%	0.276	C	S	.	.	I	π-helix	trans	-48.6	-51.4	-168.8	-178	168.7	-124.2	0	0	113.8	Y273 S274 R280 F281 L282 L331	Y273-E278 HydrophobicContact CD1-CB 4.26Å; Y273-E278 HydrophobicContact CE1-CB 3.8Å; Y273-E278 HydrophobicContact CE1-CG 3.95Å; Y273-E278 WeakPolarHBondContact CE1-OE1 3.38Å; Y273-E278 PolarHBondContact O-N 2.94Å; S274-E278 WeakPolarHBondContact CA-OE2 3.22Å; S274-E278 WeakPolarHBondContact CB-OE2 3.2Å; S274-E278 PolarHBondContact OG-OE2 3.11Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 3.48Å; E278-F281 PolarHBondContact O-N 2.85Å; E278-F281 VanDerWaalsContact O-N 3.15Å; E278-L282 HydrophobicContact CG-CD1 4.06Å; E278-L282 HydrophobicContact CG-CG 4.35Å; E278-L282 WeakPolarHBondContact O-CG 3.36Å; E278-L282 PolarHBondContact O-N 3.38Å; E278-L331 WeakPolarHBondContact OE1-CD1 3.33Å
279	K	94.2	Very high	93.7	Very high	153 Å²	153	49.4 Å²	49.4	67%	0.665	26%	0.259	S	S	*	.	H	α-helix	trans	-60.3	-36.9	-178.4	-64.7	-176.8	-178.5	177	0	113.3	F277 R283	F277-K279 PolarHBondContact O-N 3.48Å; K279-R283 WeakPolarHBondContact O-CD 3.2Å; K279-R283 VanDerWaalsContact O-CG 3.26Å; K279-R283 WeakPolarHBondContact O-CG 3.46Å; K279-R283 PolarHBondContact O-N 2.96Å
280	R	94.9	Very high	93.8	Very high	91 Å²	91	49.8 Å²	49.8	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-78.7	-37	177.6	-163.3	168.1	169.1	168.2	-3.2	110.1	E236 V239 D240 L243 F277 E278 R283 T284	E236-R280 IonicContact OE2-CZ 3.5Å; E236-R280 IonicContact OE2-NH1 3.91Å; E236-R280 PolarHBondContact OE2-NH1 3.3Å; E236-R280 IonicContact OE2-NH2 2.64Å; V239-R280 HydrophobicContact CG1-CB 4.44Å; V239-R280 HydrophobicContact CG1-CG 4.43Å; D240-R280 IonicContact OD1-CZ 2.73Å; D240-R280 VanDerWaalsContact OD1-CZ 3.32Å; D240-R280 IonicContact OD1-NE 3.7Å; D240-R280 IonicContact OD1-NH2 2.64Å; D240-R280 PolarHBondContact OD1-NH2 3.5Å; D240-R280 IonicContact OD2-CZ 3.38Å; D240-R280 IonicContact OD2-NH2 2.67Å; D240-R280 PolarHBondContact OD2-NH2 3.43Å; L243-R280 HydrophobicContact CD1-CB 4.44Å; L243-R280 HydrophobicContact CD1-CG 3.79Å; F277-R280 PolarHBondContact O-N 2.86Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 3.48Å; R280-R283 PolarHBondContact O-N 2.8Å; R280-T284 WeakPolarHBondContact O-CB 3.41Å; R280-T284 PolarHBondContact O-N 2.69Å; R280-T284 PolarHBondContact O-OG1 3.34Å
281	F	95.5	Very high	93.9	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.022	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-46.3	175.9	-175.5	-146.9	0	0	0	113.7	L243 V246 F264 F277 E278 T284 T285 V332	L243-F281 HydrophobicContact CD2-CB 4.01Å; L243-F281 HydrophobicContact CD2-CD2 3.73Å; L243-F281 HydrophobicContact CD2-CG 4.29Å; V246-F281 HydrophobicContact CG1-CE2 4.05Å; V246-F281 HydrophobicContact CG2-CE2 4.44Å; F264-F281 HydrophobicContact CZ-CE1 4.29Å; F264-F281 HydrophobicContact CZ-CZ 4.49Å; F277-F281 HydrophobicContact CD1-CB 3.66Å; F277-F281 HydrophobicContact CD1-CD1 4.12Å; F277-F281 HydrophobicContact CD1-CG 4.04Å; F277-F281 HydrophobicContact CE1-CB 3.39Å; F277-F281 AromaticContact CE1-CD1 3.63Å; F277-F281 HydrophobicContact CE1-CD1 3.63Å; F277-F281 AromaticContact CE1-CD2 3.92Å; F277-F281 HydrophobicContact CE1-CD2 3.92Å; F277-F281 HydrophobicContact CE1-CE1 4.34Å; F277-F281 AromaticContact CE1-CG 3.38Å; F277-F281 HydrophobicContact CE1-CG 3.38Å; F277-F281 HydrophobicContact CZ-CB 4.09Å; F277-F281 HydrophobicContact CZ-CD2 4.29Å; F277-F281 HydrophobicContact CZ-CG 4.14Å; F277-F281 PolarHBondContact O-N 3.02Å; E278-F281 PolarHBondContact O-N 2.85Å; E278-F281 VanDerWaalsContact O-N 3.15Å; F281-T284 PolarHBondContact O-N 3.32Å; F281-T285 VanDerWaalsContact O-CB 3.25Å; F281-T285 WeakPolarHBondContact O-CB 3.1Å; F281-T285 PolarHBondContact O-N 3.47Å; F281-T285 PolarHBondContact O-OG1 3.46Å; F281-V332 HydrophobicContact CD1-CG2 3.95Å; F281-V332 HydrophobicContact CE1-CB 4.49Å; F281-V332 HydrophobicContact CE1-CG1 4.16Å; F281-V332 HydrophobicContact CE1-CG2 3.45Å; F281-V332 VanDerWaalsContact CE1-CG2 3.45Å; F281-V332 HydrophobicContact CZ-CG1 3.98Å; F281-V332 HydrophobicContact CZ-CG2 4.12Å
282	L	96.5	Very high	94.1	Very high	33 Å²	33	49 Å²	49	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-46.6	176	-63.9	179.9	0	0	0	111	E278 T285 E286 L331 V332 A335	E278-L282 HydrophobicContact CG-CD1 4.06Å; E278-L282 HydrophobicContact CG-CG 4.35Å; E278-L282 WeakPolarHBondContact O-CG 3.36Å; E278-L282 PolarHBondContact O-N 3.38Å; L282-T285 PolarHBondContact O-N 3.26Å; L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 2.81Å; L282-L331 HydrophobicContact CD1-CB 4.21Å; L282-L331 VanDerWaalsContact CD2-C 3.46Å; L282-L331 HydrophobicContact CD2-CB 3.96Å; L282-L331 WeakPolarHBondContact CD2-O 3.41Å; L282-V332 HydrophobicContact CD2-CB 4.41Å; L282-V332 HydrophobicContact CD2-CG2 4.02Å; L282-A335 HydrophobicContact CB-CB 4.37Å; L282-A335 HydrophobicContact CD2-CB 4.16Å
283	R	95.6	Very high	94.2	Very high	188 Å²	188	49 Å²	49	71%	0.709	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-46.6	176.9	-73.7	174.3	179.1	-174.9	-1.5	113	K279 R280 T285 E286 A287	K279-R283 WeakPolarHBondContact O-CD 3.2Å; K279-R283 VanDerWaalsContact O-CG 3.26Å; K279-R283 WeakPolarHBondContact O-CG 3.46Å; K279-R283 PolarHBondContact O-N 2.96Å; R280-R283 PolarHBondContact O-N 2.8Å; R283-T285 VanDerWaalsContact C-N 3.3Å; R283-T285 PolarHBondContact O-N 2.91Å; R283-E286 PolarHBondContact O-N 3.27Å; R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.84Å
284	T	95.5	Very high	94.3	Very high	55 Å²	55	54.5 Å²	54.5	34%	0.337	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-32	178.6	-58	0	0	0	0	111.8	L243 R280 F281 Y288	L243-T284 HydrophobicContact CD2-CG2 4.43Å; R280-T284 WeakPolarHBondContact O-CB 3.41Å; R280-T284 PolarHBondContact O-N 2.69Å; R280-T284 PolarHBondContact O-OG1 3.34Å; F281-T284 PolarHBondContact O-N 3.32Å; T284-Y288 WeakPolarHBondContact O-CB 3.47Å; T284-Y288 PolarHBondContact O-N 3.01Å
285	T	95.9	Very high	94.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-48.2	174.6	-61.1	0	0	0	0	111.7	R250 F281 L282 R283 Y288 Y289 V332 A335 A336	R250-T285 VanDerWaalsContact NH2-CG2 3.34Å; R250-T285 PolarHBondContact NH2-OG1 3.48Å; F281-T285 VanDerWaalsContact O-CB 3.25Å; F281-T285 WeakPolarHBondContact O-CB 3.1Å; F281-T285 PolarHBondContact O-N 3.47Å; F281-T285 PolarHBondContact O-OG1 3.46Å; L282-T285 PolarHBondContact O-N 3.26Å; R283-T285 VanDerWaalsContact C-N 3.3Å; R283-T285 PolarHBondContact O-N 2.91Å; T285-Y288 PolarHBondContact O-N 2.8Å; T285-Y289 HydrophobicContact CG2-CD2 3.79Å; T285-Y289 HydrophobicContact CG2-CE2 3.9Å; T285-Y289 VanDerWaalsContact O-CD2 3.31Å; T285-Y289 WeakPolarHBondContact O-CD2 3.36Å; T285-Y289 PolarHBondContact O-N 3.44Å; T285-Y289 VanDerWaalsContact O-N 3.11Å; T285-V332 HydrophobicContact CG2-CG1 4.06Å; T285-A335 HydrophobicContact CG2-CB 4.18Å; T285-A336 HydrophobicContact CG2-CB 4.32Å
286	E	95.8	Very high	94.7	Very high	40 Å²	40	53 Å²	53	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-49.1	176.8	-168.1	160.1	175.6	0	0	111	L282 R283 Y288 Y289 E290 A335 R338	L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 2.81Å; R283-E286 PolarHBondContact O-N 3.27Å; E286-Y288 PolarHBondContact O-N 3.04Å; E286-Y289 PolarHBondContact O-N 3.32Å; E286-E290 VanDerWaalsContact O-CB 3.28Å; E286-E290 WeakPolarHBondContact O-CB 3.42Å; E286-E290 PolarHBondContact O-N 3.07Å; E286-A335 HydrophobicContact CB-CB 4.23Å; E286-R338 HydrophobicContact CG-CB 4.2Å; E286-R338 VanDerWaalsContact OE1-CB 3.26Å; E286-R338 WeakPolarHBondContact OE1-CB 3.38Å; E286-R338 WeakPolarHBondContact OE1-CD 3.32Å; E286-R338 IonicContact OE1-CZ 2.87Å; E286-R338 IonicContact OE1-NE 3.55Å; E286-R338 PolarHBondContact OE1-NE 2.64Å; E286-R338 IonicContact OE2-CZ 3.84Å; E286-R338 VanDerWaalsContact OE2-CZ 3.25Å; E286-R338 IonicContact OE2-NE 3.51Å; E286-R338 PolarHBondContact OE2-NE 3.02Å; E286-R338 IonicContact OE2-NH2 3.76Å; E286-R338 PolarHBondContact OE2-NH2 3.28Å
287	A	95.6	Very high	94.7	Very high	53 Å²	53	52.4 Å²	52.4	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-37.1	179.2	0	0	0	0	0	113.8	R283 A291	R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.84Å; A287-A291 WeakPolarHBondContact O-CB 3.48Å; A287-A291 PolarHBondContact O-N 3.49Å; A287-A291 VanDerWaalsContact O-N 3.15Å
288	Y	95.8	Very high	94.6	Very high	53 Å²	53	57.6 Å²	57.6	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-50.2	174.7	173.6	-93.1	0	0	0	110.9	K247 R250 T284 T285 E286 A291 E292	K247-Y288 HydrophobicContact CG-CD2 4.44Å; K247-Y288 HydrophobicContact CG-CE2 4.36Å; R250-Y288 HydrophobicContact CB-CE1 3.73Å; R250-Y288 HydrophobicContact CB-CE2 4.33Å; R250-Y288 WeakPolarHBondContact CB-OH 3.39Å; R250-Y288 VanDerWaalsContact CD-CE1 3.43Å; R250-Y288 HydrophobicContact CG-CE1 4.19Å; T284-Y288 WeakPolarHBondContact O-CB 3.47Å; T284-Y288 PolarHBondContact O-N 3.01Å; T285-Y288 PolarHBondContact O-N 2.8Å; E286-Y288 PolarHBondContact O-N 3.04Å; Y288-A291 PolarHBondContact O-N 2.8Å; Y288-E292 PolarHBondContact O-N 3.35Å
289	Y	96	Very high	94.5	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.02	29%	0.291	C	S	.	.	H	α-helix	trans	-74.4	-28.1	-177.8	-79	-53.5	0	0	0	113.3	R250 T285 E286 G293 T312 E316 A336 L340	R250-Y289 WeakPolarHBondContact CD-OH 3.46Å; T285-Y289 HydrophobicContact CG2-CD2 3.79Å; T285-Y289 HydrophobicContact CG2-CE2 3.9Å; T285-Y289 VanDerWaalsContact O-CD2 3.31Å; T285-Y289 WeakPolarHBondContact O-CD2 3.36Å; T285-Y289 PolarHBondContact O-N 3.44Å; T285-Y289 VanDerWaalsContact O-N 3.11Å; E286-Y289 PolarHBondContact O-N 3.32Å; Y289-G293 PolarHBondContact O-N 3.32Å; Y289-T312 HydrophobicContact CD1-CG2 4.19Å; Y289-T312 HydrophobicContact CE1-CG2 3.38Å; Y289-E316 HydrophobicContact CE2-CG 3.95Å; Y289-E316 PolarHBondContact OH-OE2 3.39Å; Y289-A336 HydrophobicContact CD2-CB 3.49Å; Y289-A336 VanDerWaalsContact CD2-CB 3.49Å; Y289-A336 HydrophobicContact CE2-CB 3.64Å; Y289-A336 HydrophobicContact CG-CB 4.31Å; Y289-L340 HydrophobicContact CD1-CD1 4.09Å; Y289-L340 HydrophobicContact CD1-CD2 3.92Å; Y289-L340 HydrophobicContact CD1-CG 4Å; Y289-L340 HydrophobicContact CG-CD1 4.49Å; Y289-L340 HydrophobicContact CG-CD2 4.39Å; Y289-L340 HydrophobicContact CG-CG 4.15Å
290	E	95.2	Very high	94.4	Very high	48 Å²	48	57.8 Å²	57.8	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-47.2	170.2	-172.5	-154.4	134.5	0	0	111.3	E286 G293 R294 G339 H343 H344	E286-E290 VanDerWaalsContact O-CB 3.28Å; E286-E290 WeakPolarHBondContact O-CB 3.42Å; E286-E290 PolarHBondContact O-N 3.07Å; E290-G293 PolarHBondContact O-N 3.46Å; E290-R294 WeakPolarHBondContact O-CB 3.43Å; E290-R294 PolarHBondContact O-N 3.41Å; E290-R294 IonicContact OE1-CZ 2.67Å; E290-R294 VanDerWaalsContact OE1-CZ 3.27Å; E290-R294 IonicContact OE1-NH1 3.02Å; E290-R294 PolarHBondContact OE1-NH1 3.47Å; E290-R294 IonicContact OE1-NH2 3.49Å; E290-R294 PolarHBondContact OE1-NH2 2.83Å; E290-G339 WeakPolarHBondContact CA-O 3.44Å; E290-H343 HydrophobicContact CG-CB 4.38Å; E290-H344 PolarHBondContact O-NE2 3.08Å
291	A	94.7	Very high	94.3	Very high	54 Å²	54	57.4 Å²	57.4	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-44	178.4	0	0	0	0	0	111.9	A287 Y288 R294 R295	A287-A291 WeakPolarHBondContact O-CB 3.48Å; A287-A291 PolarHBondContact O-N 3.49Å; A287-A291 VanDerWaalsContact O-N 3.15Å; Y288-A291 PolarHBondContact O-N 2.8Å; A291-R294 PolarHBondContact O-N 2.68Å; A291-R295 PolarHBondContact O-N 3.02Å; A291-R295 VanDerWaalsContact O-N 3.09Å
292	E	93.8	Very high	94.2	Very high	37 Å²	37	57.7 Å²	57.7	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-40.5	177.8	-173.1	59.8	-171.2	0	0	111.9	Y288 R294 R295 L296	Y288-E292 PolarHBondContact O-N 3.35Å; E292-R294 PolarHBondContact O-N 3.09Å; E292-R295 WeakPolarHBondContact O-CB 3.42Å; E292-R295 PolarHBondContact O-N 2.93Å; E292-R295 IonicContact OE1-CZ 2.98Å; E292-R295 IonicContact OE1-NE 3.36Å; E292-R295 PolarHBondContact OE1-NE 2.72Å; E292-R295 IonicContact OE1-NH2 2.79Å; E292-R295 PolarHBondContact OE1-NH2 2.75Å; E292-R295 IonicContact OE2-CZ 3.16Å; E292-R295 IonicContact OE2-NE 2.81Å; E292-R295 PolarHBondContact OE2-NE 2.83Å; E292-R295 IonicContact OE2-NH2 2.65Å; E292-L296 HydrophobicContact CG-CD1 4.04Å; E292-L296 PolarHBondContact O-N 2.84Å
293	G	94	Very high	94.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-44	173.2	0	0	0	0	0	112.6	Y289 E290 R295 L296 I297	Y289-G293 PolarHBondContact O-N 3.32Å; E290-G293 PolarHBondContact O-N 3.46Å; G293-R295 VanDerWaalsContact C-N 3.26Å; G293-R295 PolarHBondContact O-N 3.41Å; G293-L296 PolarHBondContact O-N 3.36Å; G293-I297 WeakPolarHBondContact O-CB 3.46Å; G293-I297 VanDerWaalsContact O-CG2 3.24Å; G293-I297 WeakPolarHBondContact O-CG2 3.33Å; G293-I297 PolarHBondContact O-N 3.13Å
294	R	93.9	Very high	94	Very high	131 Å²	131	49.7 Å²	49.7	49%	0.494	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-34.4	177	-177.9	177.9	-70.8	124.7	5.4	112.2	E290 A291 E292 N298 H344	E290-R294 WeakPolarHBondContact O-CB 3.43Å; E290-R294 PolarHBondContact O-N 3.41Å; E290-R294 IonicContact OE1-CZ 2.67Å; E290-R294 VanDerWaalsContact OE1-CZ 3.27Å; E290-R294 IonicContact OE1-NH1 3.02Å; E290-R294 PolarHBondContact OE1-NH1 3.47Å; E290-R294 IonicContact OE1-NH2 3.49Å; E290-R294 PolarHBondContact OE1-NH2 2.83Å; A291-R294 PolarHBondContact O-N 2.68Å; E292-R294 PolarHBondContact O-N 3.09Å; R294-N298 PolarHBondContact O-ND2 3.35Å; R294-H344 PolarHBondContact N-CE1 3.26Å; R294-H344 PolarHBondContact N-NE2 3.44Å
295	R	94.1	Very high	93.9	Very high	99 Å²	99	47.1 Å²	47.1	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-70.1	-58.8	176.3	-172.1	-175.4	74.7	74.6	1.3	110.3	A291 E292 G293 I297 N298 E299	A291-R295 PolarHBondContact O-N 3.02Å; A291-R295 VanDerWaalsContact O-N 3.09Å; E292-R295 WeakPolarHBondContact O-CB 3.42Å; E292-R295 PolarHBondContact O-N 2.93Å; E292-R295 IonicContact OE1-CZ 2.98Å; E292-R295 IonicContact OE1-NE 3.36Å; E292-R295 PolarHBondContact OE1-NE 2.72Å; E292-R295 IonicContact OE1-NH2 2.79Å; E292-R295 PolarHBondContact OE1-NH2 2.75Å; E292-R295 IonicContact OE2-CZ 3.16Å; E292-R295 IonicContact OE2-NE 2.81Å; E292-R295 PolarHBondContact OE2-NE 2.83Å; E292-R295 IonicContact OE2-NH2 2.65Å; G293-R295 VanDerWaalsContact C-N 3.26Å; G293-R295 PolarHBondContact O-N 3.41Å; R295-I297 PolarHBondContact O-N 3.46Å; R295-N298 PolarHBondContact O-N 2.93Å; R295-E299 WeakPolarHBondContact CG-OE1 3.27Å; R295-E299 IonicContact CZ-OE1 3.81Å; R295-E299 IonicContact CZ-OE2 2.69Å; R295-E299 IonicContact NH1-OE1 2.68Å; R295-E299 PolarHBondContact NH1-OE1 3.1Å; R295-E299 IonicContact NH1-OE2 3.58Å; R295-E299 PolarHBondContact NH1-OE2 3.37Å; R295-E299 PolarHBondContact O-N 2.68Å
296	L	93.2	Very high	93.9	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-40.1	-173.8	-71.5	169.3	0	0	0	113.7	E292 G293 N298 E299 V300 F305 Y308	E292-L296 HydrophobicContact CG-CD1 4.04Å; E292-L296 PolarHBondContact O-N 2.84Å; G293-L296 PolarHBondContact O-N 3.36Å; L296-N298 PolarHBondContact O-N 3.4Å; L296-E299 PolarHBondContact O-N 2.65Å; L296-V300 HydrophobicContact CB-CG2 4.47Å; L296-V300 WeakPolarHBondContact O-CG2 3.44Å; L296-V300 PolarHBondContact O-N 3.27Å; L296-F305 HydrophobicContact CB-CD2 3.72Å; L296-F305 HydrophobicContact CB-CE2 3.96Å; L296-Y308 HydrophobicContact CD1-CD1 3.43Å; L296-Y308 VanDerWaalsContact CD1-CD1 3.43Å; L296-Y308 HydrophobicContact CD1-CD2 4.32Å; L296-Y308 HydrophobicContact CD1-CE1 3.2Å; L296-Y308 HydrophobicContact CD1-CE2 4.12Å; L296-Y308 HydrophobicContact CD1-CG 4Å
297	I	90.6	Very high	93.9	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.046	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-4.7	179.5	-158.7	163.5	0	0	0	114.5	G293 R295 F305 H344 A347 M348 K351	G293-I297 WeakPolarHBondContact O-CB 3.46Å; G293-I297 VanDerWaalsContact O-CG2 3.24Å; G293-I297 WeakPolarHBondContact O-CG2 3.33Å; G293-I297 PolarHBondContact O-N 3.13Å; R295-I297 PolarHBondContact O-N 3.46Å; I297-F305 HydrophobicContact CD1-CD1 4.31Å; I297-F305 HydrophobicContact CD1-CE1 4.08Å; I297-F305 HydrophobicContact CG1-CD1 4.4Å; I297-H344 HydrophobicContact CD1-CB 3.87Å; I297-A347 HydrophobicContact CD1-CB 3.76Å; I297-M348 HydrophobicContact CD1-CG 3.65Å; I297-K351 PolarHBondContact O-NZ 3.13Å
298	N	90.1	Very high	93.8	Very high	111 Å²	111	49.2 Å²	49.2	59%	0.594	25%	0.247	S	C	*	.	H	α-helix	trans	-113	-16.4	172.9	-66.1	-56.9	0	0	0	113.6	R294 R295 L296 K351	R294-N298 PolarHBondContact O-ND2 3.35Å; R295-N298 PolarHBondContact O-N 2.93Å; L296-N298 PolarHBondContact O-N 3.4Å; N298-K351 PolarHBondContact OD1-NZ 3.24Å
299	E	92.7	Very high	93.8	Very high	124 Å²	124	46.8 Å²	46.8	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-96.3	-35.7	178.4	-72.1	-179.9	-156.4	0	0	113.5	R295 L296	R295-E299 WeakPolarHBondContact CG-OE1 3.27Å; R295-E299 IonicContact CZ-OE1 3.81Å; R295-E299 IonicContact CZ-OE2 2.69Å; R295-E299 IonicContact NH1-OE1 2.68Å; R295-E299 PolarHBondContact NH1-OE1 3.1Å; R295-E299 IonicContact NH1-OE2 3.58Å; R295-E299 PolarHBondContact NH1-OE2 3.37Å; R295-E299 PolarHBondContact O-N 2.68Å; L296-E299 PolarHBondContact O-N 2.65Å
300	V	93.2	Very high	93.7	Very high	63 Å²	63	49.1 Å²	49.1	38%	0.382	25%	0.254	S	S	.	.	S	Bend	trans	-116.6	165.1	-176.6	-57	0	0	0	0	112.2	L296 A304 F305	L296-V300 HydrophobicContact CB-CG2 4.47Å; L296-V300 WeakPolarHBondContact O-CG2 3.44Å; L296-V300 PolarHBondContact O-N 3.27Å; V300-A304 HydrophobicContact CB-CB 4.18Å; V300-A304 HydrophobicContact CG2-CB 4.25Å; V300-F305 HydrophobicContact CG2-CB 3.98Å
301	D	92.2	Very high	93.7	Very high	83 Å²	83	53.4 Å²	53.4	44%	0.444	27%	0.274	S	S	.	.			trans	-71.1	157.9	173.7	81	-17.2	0	0	0	111.7	A304 F305	D301-A304 PolarHBondContact O-N 3.2Å; D301-A304 WeakPolarHBondContact OD1-CB 3.25Å; D301-A304 PolarHBondContact OD1-N 2.75Å; D301-F305 PolarHBondContact O-N 3.25Å
302	V	93.7	Very high	93.7	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-40.1	-176.9	179	0	0	0	0	112.2	F305 M306 M348 K351 M356	V302-F305 PolarHBondContact O-N 2.67Å; V302-M306 HydrophobicContact CG1-CE 4.48Å; V302-M306 HydrophobicContact CG1-CG 4.32Å; V302-M306 HydrophobicContact CG1-SD 4.4Å; V302-M306 VanDerWaalsContact O-CG 3.31Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 2.82Å; V302-M348 HydrophobicContact CG1-CB 4.11Å; V302-M348 HydrophobicContact CG1-CG 4.46Å; V302-K351 HydrophobicContact CG2-CB 3.98Å; V302-M356 HydrophobicContact CG1-CE 4.26Å
303	P	93.4	Very high	93.7	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-54.9	-50	170.2	-29.7	37.6	0	0	0	114.6	F305 M306 N307 M356 Q364	P303-F305 VanDerWaalsContact C-N 3.34Å; P303-F305 PolarHBondContact O-N 3.06Å; P303-M306 PolarHBondContact O-N 2.61Å; P303-N307 PolarHBondContact O-N 3.21Å; P303-N307 VanDerWaalsContact O-N 3.12Å; P303-N307 PolarHBondContact O-ND2 2.92Å; P303-M356 HydrophobicContact CG-CG 4.49Å; P303-M356 HydrophobicContact CG-SD 4.34Å; P303-Q364 HydrophobicContact CB-CG 4.21Å
304	A	93.5	Very high	93.7	Very high	41 Å²	41	54.9 Å²	54.9	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.2	0	0	0	0	0	111.9	V300 D301 M306 N307 Y308	V300-A304 HydrophobicContact CB-CB 4.18Å; V300-A304 HydrophobicContact CG2-CB 4.25Å; D301-A304 PolarHBondContact O-N 3.2Å; D301-A304 WeakPolarHBondContact OD1-CB 3.25Å; D301-A304 PolarHBondContact OD1-N 2.75Å; A304-M306 PolarHBondContact O-N 2.76Å; A304-N307 PolarHBondContact O-N 3.23Å; A304-Y308 PolarHBondContact O-N 3.39Å
305	F	95.2	Very high	93.7	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-45.1	174.1	179.9	-113.7	0	0	0	112.1	L296 I297 V300 D301 V302 P303 N307 Y308 V309 H344 M348	L296-F305 HydrophobicContact CB-CD2 3.72Å; L296-F305 HydrophobicContact CB-CE2 3.96Å; I297-F305 HydrophobicContact CD1-CD1 4.31Å; I297-F305 HydrophobicContact CD1-CE1 4.08Å; I297-F305 HydrophobicContact CG1-CD1 4.4Å; V300-F305 HydrophobicContact CG2-CB 3.98Å; D301-F305 PolarHBondContact O-N 3.25Å; V302-F305 PolarHBondContact O-N 2.67Å; P303-F305 VanDerWaalsContact C-N 3.34Å; P303-F305 PolarHBondContact O-N 3.06Å; F305-N307 PolarHBondContact O-N 2.9Å; F305-Y308 PolarHBondContact O-N 3.46Å; F305-V309 HydrophobicContact CD1-CG2 4.34Å; F305-V309 HydrophobicContact CD2-CG2 4.22Å; F305-V309 HydrophobicContact CE1-CG2 3.92Å; F305-V309 HydrophobicContact CE2-CG2 3.78Å; F305-V309 HydrophobicContact CG-CG2 4.48Å; F305-V309 HydrophobicContact CZ-CG2 3.62Å; F305-V309 VanDerWaalsContact O-CG2 3.31Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.14Å; F305-H344 HydrophobicContact CE1-CB 4.46Å; F305-M348 HydrophobicContact CD1-CE 4.5Å; F305-M348 HydrophobicContact CD1-CG 4.07Å; F305-M348 HydrophobicContact CD1-SD 4.21Å; F305-M348 HydrophobicContact CE1-CG 3.96Å; F305-M348 HydrophobicContact CE1-SD 3.79Å
306	M	95.1	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-41.4	178.7	-73.3	-169.5	-55.6	0	0	113.1	V302 P303 A304 V309 S310 M348 M356 Q364 L367 L368 L371	V302-M306 HydrophobicContact CG1-CE 4.48Å; V302-M306 HydrophobicContact CG1-CG 4.32Å; V302-M306 HydrophobicContact CG1-SD 4.4Å; V302-M306 VanDerWaalsContact O-CG 3.31Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 2.82Å; P303-M306 PolarHBondContact O-N 2.61Å; A304-M306 PolarHBondContact O-N 2.76Å; M306-V309 PolarHBondContact O-N 3.36Å; M306-S310 PolarHBondContact O-N 3.37Å; M306-M348 HydrophobicContact CG-CE 3.49Å; M306-M348 VanDerWaalsContact CG-CE 3.49Å; M306-M348 HydrophobicContact SD-CE 3.88Å; M306-M356 HydrophobicContact CE-CE 3.91Å; M306-M356 HydrophobicContact CE-SD 3.55Å; M306-M356 VanDerWaalsContact CE-SD 3.55Å; M306-Q364 HydrophobicContact CE-CB 4.14Å; M306-Q364 WeakPolarHBondContact CE-O 3.43Å; M306-L367 HydrophobicContact CB-CD2 3.74Å; M306-L367 HydrophobicContact CB-CG 4.16Å; M306-L368 HydrophobicContact CE-CB 4.32Å; M306-L368 HydrophobicContact SD-CB 3.6Å; M306-L368 HydrophobicContact SD-CD1 3.74Å; M306-L368 HydrophobicContact SD-CG 4.21Å; M306-L371 HydrophobicContact CB-CD1 3.73Å; M306-L371 HydrophobicContact CG-CD1 3.72Å; M306-L371 HydrophobicContact SD-CD1 4.27Å
307	N	95.2	Very high	93.7	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.342	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-48.9	175.5	-64.7	-45.7	0	0	0	110.3	P303 A304 F305 V309 S310 E311 L367	P303-N307 PolarHBondContact O-N 3.21Å; P303-N307 VanDerWaalsContact O-N 3.12Å; P303-N307 PolarHBondContact O-ND2 2.92Å; A304-N307 PolarHBondContact O-N 3.23Å; F305-N307 PolarHBondContact O-N 2.9Å; N307-V309 VanDerWaalsContact C-N 3.34Å; N307-V309 PolarHBondContact O-N 3.07Å; N307-S310 WeakPolarHBondContact O-CB 3.23Å; N307-S310 PolarHBondContact O-N 3.36Å; N307-S310 VanDerWaalsContact O-N 3.13Å; N307-E311 PolarHBondContact O-N 2.94Å; N307-L367 VanDerWaalsContact OD1-CD2 3.26Å; N307-L367 WeakPolarHBondContact OD1-CD2 3.49Å
308	Y	94.6	Very high	93.8	Very high	73 Å²	73	54.3 Å²	54.3	29%	0.286	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-45	175.7	173.1	-90	0	0	0	112.5	L296 A304 F305 S310 E311 T312	L296-Y308 HydrophobicContact CD1-CD1 3.43Å; L296-Y308 VanDerWaalsContact CD1-CD1 3.43Å; L296-Y308 HydrophobicContact CD1-CD2 4.32Å; L296-Y308 HydrophobicContact CD1-CE1 3.2Å; L296-Y308 HydrophobicContact CD1-CE2 4.12Å; L296-Y308 HydrophobicContact CD1-CG 4Å; A304-Y308 PolarHBondContact O-N 3.39Å; F305-Y308 PolarHBondContact O-N 3.46Å; Y308-S310 VanDerWaalsContact C-N 3.34Å; Y308-S310 PolarHBondContact O-N 3.17Å; Y308-E311 PolarHBondContact O-N 3.49Å; Y308-T312 HydrophobicContact CE1-CG2 4.47Å; Y308-T312 WeakPolarHBondContact CE1-OG1 3.11Å; Y308-T312 VanDerWaalsContact CZ-OG1 3.29Å; Y308-T312 WeakPolarHBondContact O-CB 3.44Å; Y308-T312 PolarHBondContact O-N 2.68Å; Y308-T312 PolarHBondContact O-OG1 3.46Å
309	V	95	Very high	94	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-43.3	177.8	168.6	0	0	0	0	110.7	F305 M306 N307 T312 L313 L340 I341 L371	F305-V309 HydrophobicContact CD1-CG2 4.34Å; F305-V309 HydrophobicContact CD2-CG2 4.22Å; F305-V309 HydrophobicContact CE1-CG2 3.92Å; F305-V309 HydrophobicContact CE2-CG2 3.78Å; F305-V309 HydrophobicContact CG-CG2 4.48Å; F305-V309 HydrophobicContact CZ-CG2 3.62Å; F305-V309 VanDerWaalsContact O-CG2 3.31Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.14Å; M306-V309 PolarHBondContact O-N 3.36Å; N307-V309 VanDerWaalsContact C-N 3.34Å; N307-V309 PolarHBondContact O-N 3.07Å; V309-T312 PolarHBondContact O-N 3.14Å; V309-L313 HydrophobicContact CG1-CD1 3.86Å; V309-L313 HydrophobicContact CG1-CG 4.33Å; V309-L313 WeakPolarHBondContact O-CB 3.36Å; V309-L313 VanDerWaalsContact O-CG 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.13Å; V309-L313 PolarHBondContact O-N 2.94Å; V309-L340 HydrophobicContact CB-CD1 4.48Å; V309-L340 HydrophobicContact CG1-CB 3.96Å; V309-L340 HydrophobicContact CG1-CD1 4.13Å; V309-L340 HydrophobicContact CG2-CB 4.07Å; V309-L340 HydrophobicContact CG2-CD1 4.33Å; V309-L340 HydrophobicContact CG2-CD2 4.32Å; V309-L340 HydrophobicContact CG2-CG 4.46Å; V309-I341 HydrophobicContact CG1-CD1 4.05Å; V309-I341 HydrophobicContact CG1-CG1 3.75Å; V309-L371 HydrophobicContact CG1-CD1 4.44Å; V309-L371 HydrophobicContact CG1-CD2 3.96Å
310	S	94.6	Very high	94	Very high	54 Å²	54	45.2 Å²	45.2	38%	0.378	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-45.9	179.2	-170.9	0	0	0	0	112.4	M306 N307 Y308 Q314	M306-S310 PolarHBondContact O-N 3.37Å; N307-S310 WeakPolarHBondContact O-CB 3.23Å; N307-S310 PolarHBondContact O-N 3.36Å; N307-S310 VanDerWaalsContact O-N 3.13Å; Y308-S310 VanDerWaalsContact C-N 3.34Å; Y308-S310 PolarHBondContact O-N 3.17Å; S310-Q314 PolarHBondContact O-N 2.9Å
311	E	94.5	Very high	94	Very high	138 Å²	138	45 Å²	45	65%	0.645	24%	0.237	S	C	*	.	H	α-helix	trans	-65.3	-45	176.7	-69.4	176.7	-179.2	0	0	111.5	N307 Y308 L313 Q314 G315	N307-E311 PolarHBondContact O-N 2.94Å; Y308-E311 PolarHBondContact O-N 3.49Å; E311-L313 PolarHBondContact O-N 3.44Å; E311-Q314 PolarHBondContact O-N 3.23Å; E311-G315 PolarHBondContact O-N 3.19Å
312	T	94.3	Very high	94	Very high	21 Å²	21	45.4 Å²	45.4	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-41.5	-179.5	-61.5	0	0	0	0	112	Y289 Y308 V309 Q314 G315 E316 L340	Y289-T312 HydrophobicContact CD1-CG2 4.19Å; Y289-T312 HydrophobicContact CE1-CG2 3.38Å; Y308-T312 HydrophobicContact CE1-CG2 4.47Å; Y308-T312 WeakPolarHBondContact CE1-OG1 3.11Å; Y308-T312 VanDerWaalsContact CZ-OG1 3.29Å; Y308-T312 WeakPolarHBondContact O-CB 3.44Å; Y308-T312 PolarHBondContact O-N 2.68Å; Y308-T312 PolarHBondContact O-OG1 3.46Å; V309-T312 PolarHBondContact O-N 3.14Å; T312-Q314 VanDerWaalsContact C-N 3.34Å; T312-Q314 PolarHBondContact O-N 2.87Å; T312-G315 PolarHBondContact O-N 3.2Å; T312-E316 WeakPolarHBondContact O-CB 3.36Å; T312-E316 PolarHBondContact O-N 3.19Å; T312-L340 HydrophobicContact CG2-CD1 3.85Å
313	L	94.7	Very high	93.9	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-33.8	176.8	-72.9	176.5	0	0	0	112.8	V309 E311 K317 A336 Q337 L340 I341	V309-L313 HydrophobicContact CG1-CD1 3.86Å; V309-L313 HydrophobicContact CG1-CG 4.33Å; V309-L313 WeakPolarHBondContact O-CB 3.36Å; V309-L313 VanDerWaalsContact O-CG 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.13Å; V309-L313 PolarHBondContact O-N 2.94Å; E311-L313 PolarHBondContact O-N 3.44Å; L313-K317 VanDerWaalsContact O-CB 3.29Å; L313-K317 WeakPolarHBondContact O-CB 3.26Å; L313-K317 PolarHBondContact O-N 3.36Å; L313-A336 HydrophobicContact CD2-CB 3.75Å; L313-Q337 HydrophobicContact CD1-CG 3.91Å; L313-Q337 HydrophobicContact CD2-CG 3.79Å; L313-L340 HydrophobicContact CD2-CD1 4.07Å; L313-L340 HydrophobicContact CG-CD1 4.09Å; L313-I341 HydrophobicContact CD1-CD1 3.84Å
314	Q	93.7	Very high	93.7	Very high	86 Å²	86	46.1 Å²	46.1	40%	0.402	24%	0.237	S	C	.	.	H	α-helix	trans	-69.6	-44.6	173.4	-179.8	58.5	28.5	0	0	111.3	S310 E311 T312 K317 E318	S310-Q314 PolarHBondContact O-N 2.9Å; E311-Q314 PolarHBondContact O-N 3.23Å; T312-Q314 VanDerWaalsContact C-N 3.34Å; T312-Q314 PolarHBondContact O-N 2.87Å; Q314-K317 WeakPolarHBondContact O-CB 3.11Å; Q314-K317 PolarHBondContact O-N 3.42Å; Q314-E318 PolarHBondContact NE2-OE1 2.81Å; Q314-E318 PolarHBondContact O-N 3.38Å; Q314-E318 VanDerWaalsContact O-N 3.08Å
315	G	93.2	Very high	93.5	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-41.4	175.4	0	0	0	0	0	113.4	E311 T312 K317 E318 R319	E311-G315 PolarHBondContact O-N 3.19Å; T312-G315 PolarHBondContact O-N 3.2Å; G315-K317 VanDerWaalsContact C-N 3.34Å; G315-K317 PolarHBondContact O-N 3.1Å; G315-E318 PolarHBondContact O-N 3.45Å; G315-R319 WeakPolarHBondContact O-CB 3.46Å; G315-R319 PolarHBondContact O-N 3.33Å
316	E	94.5	Very high	93.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-34.8	175.9	-172.1	67.2	-175.2	0	0	111.9	R250 Y289 T312 R319 A320 V332 A336	R250-E316 IonicContact CZ-OE1 3.96Å; R250-E316 IonicContact NE-OE1 2.79Å; R250-E316 PolarHBondContact NE-OE1 3.43Å; R250-E316 IonicContact NE-OE2 2.63Å; R250-E316 PolarHBondContact NE-OE2 2.91Å; R250-E316 VanDerWaalsContact NE-OE2 3.13Å; R250-E316 IonicContact NH2-OE1 3.72Å; R250-E316 PolarHBondContact NH2-OE1 3.24Å; R250-E316 IonicContact NH2-OE2 2.71Å; Y289-E316 HydrophobicContact CE2-CG 3.95Å; Y289-E316 PolarHBondContact OH-OE2 3.39Å; T312-E316 WeakPolarHBondContact O-CB 3.36Å; T312-E316 PolarHBondContact O-N 3.19Å; E316-R319 PolarHBondContact O-N 3.18Å; E316-R319 IonicContact OE2-CZ 2.82Å; E316-R319 IonicContact OE2-NH1 2.76Å; E316-R319 PolarHBondContact OE2-NH1 3.43Å; E316-A320 WeakPolarHBondContact O-CB 3.05Å; E316-A320 PolarHBondContact O-N 2.9Å; E316-V332 HydrophobicContact CG-CG1 4.47Å; E316-V332 WeakPolarHBondContact OE1-CG1 3.48Å; E316-A336 HydrophobicContact CG-CB 4.15Å
317	K	93.8	Very high	93	Very high	91 Å²	91	58.1 Å²	58.1	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-45.4	173.2	169.5	175.5	179.6	-169.8	0	112.2	L313 Q314 G315 N321 I333	L313-K317 VanDerWaalsContact O-CB 3.29Å; L313-K317 WeakPolarHBondContact O-CB 3.26Å; L313-K317 PolarHBondContact O-N 3.36Å; Q314-K317 WeakPolarHBondContact O-CB 3.11Å; Q314-K317 PolarHBondContact O-N 3.42Å; G315-K317 VanDerWaalsContact C-N 3.34Å; G315-K317 PolarHBondContact O-N 3.1Å; K317-N321 VanDerWaalsContact O-CB 3.27Å; K317-N321 WeakPolarHBondContact O-CB 3.27Å; K317-N321 PolarHBondContact O-N 3.01Å; K317-N321 PolarHBondContact O-ND2 3.01Å; K317-I333 HydrophobicContact CB-CD1 3.5Å; K317-I333 HydrophobicContact CB-CG1 3.87Å; K317-I333 HydrophobicContact CD-CD1 4.17Å; K317-I333 HydrophobicContact CG-CD1 3.54Å; K317-I333 HydrophobicContact CG-CG1 4.45Å
318	E	93.4	Very high	92.7	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-45.7	176.8	-71.2	171.3	-160.7	0	0	111.3	Q314 G315 F322	Q314-E318 PolarHBondContact NE2-OE1 2.81Å; Q314-E318 PolarHBondContact O-N 3.38Å; Q314-E318 VanDerWaalsContact O-N 3.08Å; G315-E318 PolarHBondContact O-N 3.45Å; E318-F322 WeakPolarHBondContact O-CB 3.36Å; E318-F322 PolarHBondContact O-N 3.34Å
319	R	92.9	Very high	92.5	Very high	43 Å²	43	52.4 Å²	52.4	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-51.6	175.9	-176.3	-174.9	-70	136.4	-8.8	112.4	E249 G315 E316 F322 Y323	E249-R319 VanDerWaalsContact CD-NE 3.26Å; E249-R319 PolarHBondContact O-NH2 3.01Å; E249-R319 IonicContact OE1-CZ 3.36Å; E249-R319 IonicContact OE1-NE 2.99Å; E249-R319 PolarHBondContact OE1-NE 2.99Å; E249-R319 VanDerWaalsContact OE1-NE 3.09Å; E249-R319 IonicContact OE1-NH2 2.67Å; E249-R319 IonicContact OE2-NE 2.68Å; G315-R319 WeakPolarHBondContact O-CB 3.46Å; G315-R319 PolarHBondContact O-N 3.33Å; E316-R319 PolarHBondContact O-N 3.18Å; E316-R319 IonicContact OE2-CZ 2.82Å; E316-R319 IonicContact OE2-NH1 2.76Å; E316-R319 PolarHBondContact OE2-NH1 3.43Å; R319-F322 PolarHBondContact O-N 2.91Å; R319-Y323 HydrophobicContact CG-CD2 3.9Å; R319-Y323 HydrophobicContact CG-CE2 3.52Å; R319-Y323 VanDerWaalsContact O-CD2 3.31Å; R319-Y323 WeakPolarHBondContact O-CD2 3.17Å; R319-Y323 PolarHBondContact O-N 3.19Å
320	A	93.2	Very high	92.5	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-44.9	-177.4	0	0	0	0	0	111.6	E316 F322 Y323 V324 V332	E316-A320 WeakPolarHBondContact O-CB 3.05Å; E316-A320 PolarHBondContact O-N 2.9Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 2.93Å; A320-Y323 PolarHBondContact O-N 3.23Å; A320-V324 VanDerWaalsContact O-CG2 3.24Å; A320-V324 WeakPolarHBondContact O-CG2 3.37Å; A320-V324 PolarHBondContact O-N 3.31Å; A320-V332 HydrophobicContact CB-CB 3.9Å; A320-V332 HydrophobicContact CB-CG1 4Å; A320-V332 HydrophobicContact CB-CG2 4.33Å
321	N	93.1	Very high	92.5	Very high	57 Å²	57	56.9 Å²	56.9	31%	0.305	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-36.5	177	-70.7	-12.8	0	0	0	112.5	K317 Y323 G325	K317-N321 VanDerWaalsContact O-CB 3.27Å; K317-N321 WeakPolarHBondContact O-CB 3.27Å; K317-N321 PolarHBondContact O-N 3.01Å; K317-N321 PolarHBondContact O-ND2 3.01Å; N321-Y323 VanDerWaalsContact C-N 3.32Å; N321-Y323 PolarHBondContact O-N 3.01Å; N321-G325 WeakPolarHBondContact O-CA 3.36Å; N321-G325 PolarHBondContact O-N 3.29Å; N321-G325 VanDerWaalsContact O-N 3.15Å
322	F	92.5	Very high	92.5	Very high	92 Å²	92	50.3 Å²	50.3	40%	0.404	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-32.3	177.7	179.9	-96.8	0	0	0	113.2	K257 K261 E318 R319 A320	K257-F322 HydrophobicContact CB-CE1 3.96Å; K261-F322 HydrophobicContact CB-CE1 4.1Å; K261-F322 HydrophobicContact CD-CD1 4.27Å; K261-F322 HydrophobicContact CD-CE1 3.76Å; K261-F322 HydrophobicContact CD-CE2 4.14Å; K261-F322 HydrophobicContact CD-CZ 3.69Å; K261-F322 WeakPolarHBondContact CD-O 3.45Å; K261-F322 WeakPolarHBondContact CE-O 3.36Å; K261-F322 HydrophobicContact CG-CE1 4.47Å; E318-F322 WeakPolarHBondContact O-CB 3.36Å; E318-F322 PolarHBondContact O-N 3.34Å; R319-F322 PolarHBondContact O-N 2.91Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 2.93Å
323	Y	91.2	Very high	92.5	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-91	-47.7	-177.5	-68.6	-37.2	0	0	0	114.7	E249 K257 V260 K261 F264 R319 A320 N321	E249-Y323 WeakPolarHBondContact OE2-CE2 3.49Å; E249-Y323 PolarHBondContact OE2-OH 3.31Å; K257-Y323 HydrophobicContact CB-CE1 4.19Å; K257-Y323 WeakPolarHBondContact CG-OH 3.47Å; K257-Y323 WeakPolarHBondContact O-CE1 3.41Å; V260-Y323 HydrophobicContact CB-CD1 4.21Å; V260-Y323 HydrophobicContact CB-CE1 3.69Å; V260-Y323 HydrophobicContact CG1-CD1 3.69Å; V260-Y323 HydrophobicContact CG1-CD2 4.08Å; V260-Y323 HydrophobicContact CG1-CE1 3.5Å; V260-Y323 HydrophobicContact CG1-CE2 3.88Å; V260-Y323 HydrophobicContact CG1-CG 4.01Å; K261-Y323 HydrophobicContact CB-CD1 4.03Å; K261-Y323 HydrophobicContact CB-CE1 4.42Å; F264-Y323 WeakPolarHBondContact CB-O 3.36Å; F264-Y323 HydrophobicContact CD2-CD1 4.36Å; F264-Y323 HydrophobicContact CD2-CG 4.02Å; F264-Y323 HydrophobicContact CE2-CD2 4.28Å; F264-Y323 HydrophobicContact CE2-CG 4.06Å; R319-Y323 HydrophobicContact CG-CD2 3.9Å; R319-Y323 HydrophobicContact CG-CE2 3.52Å; R319-Y323 VanDerWaalsContact O-CD2 3.31Å; R319-Y323 WeakPolarHBondContact O-CD2 3.17Å; R319-Y323 PolarHBondContact O-N 3.19Å; A320-Y323 PolarHBondContact O-N 3.23Å; N321-Y323 VanDerWaalsContact C-N 3.32Å; N321-Y323 PolarHBondContact O-N 3.01Å
324	V	90	Very high	92.5	Very high	24 Å²	24	50.4 Å²	50.4	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-119.1	1.8	-171.3	-63	0	0	0	0	114.2	F264 Y273 A320 A328	F264-V324 HydrophobicContact CB-CG1 4.39Å; F264-V324 HydrophobicContact CD1-CG1 3.38Å; F264-V324 HydrophobicContact CE1-CG1 3.64Å; F264-V324 HydrophobicContact CG-CG1 3.88Å; F264-V324 HydrophobicContact CZ-CG1 4.32Å; Y273-V324 HydrophobicContact CD2-CG1 4.49Å; Y273-V324 HydrophobicContact CE2-CG1 3.68Å; A320-V324 VanDerWaalsContact O-CG2 3.24Å; A320-V324 WeakPolarHBondContact O-CG2 3.37Å; A320-V324 PolarHBondContact O-N 3.31Å; V324-A328 HydrophobicContact CB-CB 3.86Å; V324-A328 HydrophobicContact CG2-CB 3.72Å
325	G	89.6	Confident	92.5	Very high	33 Å²	33	46.3 Å²	46.3	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	78.8	175.7	-175.9	0	0	0	0	0	113.4	N321 E327 G329	N321-G325 WeakPolarHBondContact O-CA 3.36Å; N321-G325 PolarHBondContact O-N 3.29Å; N321-G325 VanDerWaalsContact O-N 3.15Å; G325-E327 PolarHBondContact O-N 2.87Å; G325-G329 WeakPolarHBondContact O-CA 3.41Å; G325-G329 PolarHBondContact O-N 3.39Å
326	S	90	Very high	92.6	Very high	95 Å²	95	44.7 Å²	44.7	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-68.2	-35.1	-168.3	51.6	0	0	0	0	115	S330	S326-S330 PolarHBondContact O-N 3.31Å; S326-S330 VanDerWaalsContact O-N 3.1Å
327	E	88.5	Confident	92.6	Very high	167 Å²	167	46.3 Å²	46.3	78%	0.78	25%	0.252	S	S	*	.	H	α-helix	trans	-72.5	-60.4	-176	-174.5	173.1	-169.7	0	0	110.9	G325 G329 S330	G325-E327 PolarHBondContact O-N 2.87Å; E327-G329 PolarHBondContact O-N 3Å; E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 3.33Å; E327-S330 VanDerWaalsContact O-N 3.13Å; E327-S330 PolarHBondContact O-OG 2.88Å
328	A	88.7	Confident	92.6	Very high	17 Å²	17	47 Å²	47	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-34.2	173.7	0	0	0	0	0	112.1	Y273 V324 S330 L331 V332	Y273-A328 HydrophobicContact CE1-CB 3.97Å; V324-A328 HydrophobicContact CB-CB 3.86Å; V324-A328 HydrophobicContact CG2-CB 3.72Å; A328-S330 VanDerWaalsContact C-N 3.28Å; A328-S330 PolarHBondContact O-N 2.91Å; A328-L331 WeakPolarHBondContact O-CB 3.36Å; A328-L331 PolarHBondContact O-N 2.87Å; A328-L331 VanDerWaalsContact O-N 3.14Å; A328-V332 PolarHBondContact O-N 3.3Å
329	G	92.2	Very high	92.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-35.8	175.4	0	0	0	0	0	113.1	G325 E327 L331 V332 I333	G325-G329 WeakPolarHBondContact O-CA 3.41Å; G325-G329 PolarHBondContact O-N 3.39Å; E327-G329 PolarHBondContact O-N 3Å; G329-L331 VanDerWaalsContact C-N 3.27Å; G329-L331 PolarHBondContact O-N 2.53Å; G329-V332 PolarHBondContact O-N 2.91Å; G329-I333 WeakPolarHBondContact O-CD1 3.43Å; G329-I333 VanDerWaalsContact O-CG1 3.27Å; G329-I333 WeakPolarHBondContact O-CG1 3.44Å; G329-I333 PolarHBondContact O-N 3.2Å
330	S	93.5	Very high	92.6	Very high	66 Å²	66	39.5 Å²	39.5	46%	0.462	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-35	175.3	78.4	0	0	0	0	113.2	S326 E327 A328 G334	S326-S330 PolarHBondContact O-N 3.31Å; S326-S330 VanDerWaalsContact O-N 3.1Å; E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 3.33Å; E327-S330 VanDerWaalsContact O-N 3.13Å; E327-S330 PolarHBondContact O-OG 2.88Å; A328-S330 VanDerWaalsContact C-N 3.28Å; A328-S330 PolarHBondContact O-N 2.91Å; S330-G334 PolarHBondContact O-N 3.03Å
331	L	94.4	Very high	92.6	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-69.9	-39.4	177.5	-57.6	178.8	0	0	0	111.5	E278 L282 A328 G329 G334 A335	E278-L331 WeakPolarHBondContact OE1-CD1 3.33Å; L282-L331 HydrophobicContact CD1-CB 4.21Å; L282-L331 VanDerWaalsContact CD2-C 3.46Å; L282-L331 HydrophobicContact CD2-CB 3.96Å; L282-L331 WeakPolarHBondContact CD2-O 3.41Å; A328-L331 WeakPolarHBondContact O-CB 3.36Å; A328-L331 PolarHBondContact O-N 2.87Å; A328-L331 VanDerWaalsContact O-N 3.14Å; G329-L331 VanDerWaalsContact C-N 3.27Å; G329-L331 PolarHBondContact O-N 2.53Å; L331-G334 PolarHBondContact O-N 3.3Å; L331-A335 PolarHBondContact O-N 2.92Å
332	V	95.1	Very high	92.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-43.9	176.1	-175.8	0	0	0	0	110.7	F281 L282 T285 E316 A320 A328 G329 G334 A335 A336	F281-V332 HydrophobicContact CD1-CG2 3.95Å; F281-V332 HydrophobicContact CE1-CB 4.49Å; F281-V332 HydrophobicContact CE1-CG1 4.16Å; F281-V332 HydrophobicContact CE1-CG2 3.45Å; F281-V332 VanDerWaalsContact CE1-CG2 3.45Å; F281-V332 HydrophobicContact CZ-CG1 3.98Å; F281-V332 HydrophobicContact CZ-CG2 4.12Å; L282-V332 HydrophobicContact CD2-CB 4.41Å; L282-V332 HydrophobicContact CD2-CG2 4.02Å; T285-V332 HydrophobicContact CG2-CG1 4.06Å; E316-V332 HydrophobicContact CG-CG1 4.47Å; E316-V332 WeakPolarHBondContact OE1-CG1 3.48Å; A320-V332 HydrophobicContact CB-CB 3.9Å; A320-V332 HydrophobicContact CB-CG1 4Å; A320-V332 HydrophobicContact CB-CG2 4.33Å; A328-V332 PolarHBondContact O-N 3.3Å; G329-V332 PolarHBondContact O-N 2.91Å; V332-G334 VanDerWaalsContact C-N 3.31Å; V332-G334 PolarHBondContact O-N 3.23Å; V332-A335 WeakPolarHBondContact O-CB 3.43Å; V332-A335 PolarHBondContact O-N 2.69Å; V332-A335 VanDerWaalsContact O-N 3.16Å; V332-A336 PolarHBondContact O-N 2.73Å
333	I	94.8	Very high	92.1	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-41.9	174.3	-61.6	158.4	0	0	0	110.4	K317 G329 A335 A336 Q337	K317-I333 HydrophobicContact CB-CD1 3.5Å; K317-I333 HydrophobicContact CB-CG1 3.87Å; K317-I333 HydrophobicContact CD-CD1 4.17Å; K317-I333 HydrophobicContact CG-CD1 3.54Å; K317-I333 HydrophobicContact CG-CG1 4.45Å; G329-I333 WeakPolarHBondContact O-CD1 3.43Å; G329-I333 VanDerWaalsContact O-CG1 3.27Å; G329-I333 WeakPolarHBondContact O-CG1 3.44Å; G329-I333 PolarHBondContact O-N 3.2Å; I333-A335 VanDerWaalsContact C-N 3.31Å; I333-A335 PolarHBondContact O-N 3.04Å; I333-A336 PolarHBondContact O-N 3.31Å; I333-Q337 HydrophobicContact CG2-CG 4.36Å; I333-Q337 WeakPolarHBondContact O-CB 3.43Å; I333-Q337 VanDerWaalsContact O-CG 3.3Å; I333-Q337 WeakPolarHBondContact O-CG 3.46Å; I333-Q337 PolarHBondContact O-N 3.13Å
334	G	93.9	Very high	92.1	Very high	15 Å²	15	40.3 Å²	40.3	16%	0.155	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-36	174.5	0	0	0	0	0	113.5	S330 L331 V332 R338	S330-G334 PolarHBondContact O-N 3.03Å; L331-G334 PolarHBondContact O-N 3.3Å; V332-G334 VanDerWaalsContact C-N 3.31Å; V332-G334 PolarHBondContact O-N 3.23Å; G334-R338 WeakPolarHBondContact O-CG 3.47Å; G334-R338 PolarHBondContact O-N 3.47Å; G334-R338 VanDerWaalsContact O-N 3.13Å; G334-R338 PolarHBondContact O-NH1 3.43Å
335	A	94.5	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-42.5	172.7	0	0	0	0	0	112.3	L282 T285 E286 L331 V332 I333 Q337 R338 G339	L282-A335 HydrophobicContact CB-CB 4.37Å; L282-A335 HydrophobicContact CD2-CB 4.16Å; T285-A335 HydrophobicContact CG2-CB 4.18Å; E286-A335 HydrophobicContact CB-CB 4.23Å; L331-A335 PolarHBondContact O-N 2.92Å; V332-A335 WeakPolarHBondContact O-CB 3.43Å; V332-A335 PolarHBondContact O-N 2.69Å; V332-A335 VanDerWaalsContact O-N 3.16Å; I333-A335 VanDerWaalsContact C-N 3.31Å; I333-A335 PolarHBondContact O-N 3.04Å; A335-Q337 PolarHBondContact O-N 3.47Å; A335-R338 PolarHBondContact O-N 3.11Å; A335-G339 PolarHBondContact O-N 3.2Å
336	A	95.4	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-38.4	174.4	0	0	0	0	0	112.5	T285 Y289 L313 E316 V332 I333 G339 L340	T285-A336 HydrophobicContact CG2-CB 4.32Å; Y289-A336 HydrophobicContact CD2-CB 3.49Å; Y289-A336 VanDerWaalsContact CD2-CB 3.49Å; Y289-A336 HydrophobicContact CE2-CB 3.64Å; Y289-A336 HydrophobicContact CG-CB 4.31Å; L313-A336 HydrophobicContact CD2-CB 3.75Å; E316-A336 HydrophobicContact CG-CB 4.15Å; V332-A336 PolarHBondContact O-N 2.73Å; I333-A336 PolarHBondContact O-N 3.31Å; A336-G339 PolarHBondContact O-N 3.24Å; A336-L340 WeakPolarHBondContact O-CB 3.47Å; A336-L340 PolarHBondContact O-N 3.23Å
337	Q	94.7	Very high	92.3	Very high	36 Å²	36	38.3 Å²	38.3	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.4	-77.1	169.1	-7.4	0	0	112.5	L313 I333 A335 I341 G342 H374	L313-Q337 HydrophobicContact CD1-CG 3.91Å; L313-Q337 HydrophobicContact CD2-CG 3.79Å; I333-Q337 HydrophobicContact CG2-CG 4.36Å; I333-Q337 WeakPolarHBondContact O-CB 3.43Å; I333-Q337 VanDerWaalsContact O-CG 3.3Å; I333-Q337 WeakPolarHBondContact O-CG 3.46Å; I333-Q337 PolarHBondContact O-N 3.13Å; A335-Q337 PolarHBondContact O-N 3.47Å; Q337-I341 WeakPolarHBondContact O-CA 3.47Å; Q337-I341 WeakPolarHBondContact O-CB 3.41Å; Q337-I341 PolarHBondContact O-N 3.32Å; Q337-G342 PolarHBondContact O-N 2.64Å; Q337-H374 HydrophobicContact CB-CB 4.16Å; Q337-H374 HydrophobicContact CG-CB 3.99Å; Q337-H374 PolarHBondContact NE2-CE1 2.91Å; Q337-H374 PolarHBondContact NE2-ND1 3.33Å; Q337-H374 VanDerWaalsContact NE2-ND1 3.17Å
338	R	93.4	Very high	92.6	Very high	106 Å²	106	30.4 Å²	30.4	40%	0.4	18%	0.178	S	C	.	.	I	π-helix	trans	-64.2	-44.2	174.2	-71.6	-171.1	-57.1	-83.5	-0.3	111.8	E286 G334 A335 G342 H343	E286-R338 HydrophobicContact CG-CB 4.2Å; E286-R338 VanDerWaalsContact OE1-CB 3.26Å; E286-R338 WeakPolarHBondContact OE1-CB 3.38Å; E286-R338 WeakPolarHBondContact OE1-CD 3.32Å; E286-R338 IonicContact OE1-CZ 2.87Å; E286-R338 IonicContact OE1-NE 3.55Å; E286-R338 PolarHBondContact OE1-NE 2.64Å; E286-R338 IonicContact OE2-CZ 3.84Å; E286-R338 VanDerWaalsContact OE2-CZ 3.25Å; E286-R338 IonicContact OE2-NE 3.51Å; E286-R338 PolarHBondContact OE2-NE 3.02Å; E286-R338 IonicContact OE2-NH2 3.76Å; E286-R338 PolarHBondContact OE2-NH2 3.28Å; G334-R338 WeakPolarHBondContact O-CG 3.47Å; G334-R338 PolarHBondContact O-N 3.47Å; G334-R338 VanDerWaalsContact O-N 3.13Å; G334-R338 PolarHBondContact O-NH1 3.43Å; A335-R338 PolarHBondContact O-N 3.11Å; R338-G342 WeakPolarHBondContact O-CA 3.42Å; R338-G342 PolarHBondContact O-N 3.21Å; R338-H343 PolarHBondContact O-CD2 3.36Å; R338-H343 VanDerWaalsContact O-CD2 3.24Å; R338-H343 PolarHBondContact O-N 2.89Å
339	G	93.1	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-60.3	-51.3	176.5	0	0	0	0	0	113.7	E290 A335 A336 H344	E290-G339 WeakPolarHBondContact CA-O 3.44Å; A335-G339 PolarHBondContact O-N 3.2Å; A336-G339 PolarHBondContact O-N 3.24Å; G339-H344 PolarHBondContact O-CD2 3.45Å; G339-H344 PolarHBondContact O-NE2 3.03Å
340	L	93.8	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-81.3	-34.5	-175.4	-71.2	177.7	0	0	0	114.7	Y289 V309 T312 L313 A336 H344	Y289-L340 HydrophobicContact CD1-CD1 4.09Å; Y289-L340 HydrophobicContact CD1-CD2 3.92Å; Y289-L340 HydrophobicContact CD1-CG 4Å; Y289-L340 HydrophobicContact CG-CD1 4.49Å; Y289-L340 HydrophobicContact CG-CD2 4.39Å; Y289-L340 HydrophobicContact CG-CG 4.15Å; V309-L340 HydrophobicContact CB-CD1 4.48Å; V309-L340 HydrophobicContact CG1-CB 3.96Å; V309-L340 HydrophobicContact CG1-CD1 4.13Å; V309-L340 HydrophobicContact CG2-CB 4.07Å; V309-L340 HydrophobicContact CG2-CD1 4.33Å; V309-L340 HydrophobicContact CG2-CD2 4.32Å; V309-L340 HydrophobicContact CG2-CG 4.46Å; T312-L340 HydrophobicContact CG2-CD1 3.85Å; L313-L340 HydrophobicContact CD2-CD1 4.07Å; L313-L340 HydrophobicContact CG-CD1 4.09Å; A336-L340 WeakPolarHBondContact O-CB 3.47Å; A336-L340 PolarHBondContact O-N 3.23Å; L340-H344 PolarHBondContact O-CD2 2.82Å
341	I	92.5	Very high	92.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.207	C	C	.	.	I	π-helix	trans	-113.4	-50.8	-172.2	-54.3	168.6	0	0	0	110.6	V309 L313 Q337 H343 H344 L345 L371 H374	V309-I341 HydrophobicContact CG1-CD1 4.05Å; V309-I341 HydrophobicContact CG1-CG1 3.75Å; L313-I341 HydrophobicContact CD1-CD1 3.84Å; Q337-I341 WeakPolarHBondContact O-CA 3.47Å; Q337-I341 WeakPolarHBondContact O-CB 3.41Å; Q337-I341 PolarHBondContact O-N 3.32Å; I341-H343 PolarHBondContact O-N 3.13Å; I341-H344 PolarHBondContact O-N 3.42Å; I341-H344 VanDerWaalsContact O-N 3.07Å; I341-L345 WeakPolarHBondContact O-CB 3.33Å; I341-L345 PolarHBondContact O-N 2.91Å; I341-L371 HydrophobicContact CD1-CB 4.13Å; I341-L371 HydrophobicContact CD1-CD2 3.95Å; I341-H374 HydrophobicContact CD1-CB 3.9Å
342	G	88.2	Confident	92.4	Very high	38 Å²	38	35.5 Å²	35.5	39%	0.392	19%	0.189	S	C	.	.	I	π-helix	trans	-54.8	-49	-171.1	0	0	0	0	0	113.9	Q337 R338	Q337-G342 PolarHBondContact O-N 2.64Å; R338-G342 WeakPolarHBondContact O-CA 3.42Å; R338-G342 PolarHBondContact O-N 3.21Å
343	H	86.9	Confident	92.3	Very high	132 Å²	132	35.7 Å²	35.7	61%	0.611	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-18.3	179.2	-66.2	-70.3	0	0	0	114.7	E290 R338 I341	E290-H343 HydrophobicContact CG-CB 4.38Å; R338-H343 PolarHBondContact O-CD2 3.36Å; R338-H343 VanDerWaalsContact O-CD2 3.24Å; R338-H343 PolarHBondContact O-N 2.89Å; I341-H343 PolarHBondContact O-N 3.13Å
344	H	91.5	Very high	92.2	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.056	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-10.5	-169.3	-61	-56	0	0	0	113.9	E290 R294 I297 F305 G339 L340 I341 S346 A347 M348	E290-H344 PolarHBondContact O-NE2 3.08Å; R294-H344 PolarHBondContact N-CE1 3.26Å; R294-H344 PolarHBondContact N-NE2 3.44Å; I297-H344 HydrophobicContact CD1-CB 3.87Å; F305-H344 HydrophobicContact CE1-CB 4.46Å; G339-H344 PolarHBondContact O-CD2 3.45Å; G339-H344 PolarHBondContact O-NE2 3.03Å; L340-H344 PolarHBondContact O-CD2 2.82Å; I341-H344 PolarHBondContact O-N 3.42Å; I341-H344 VanDerWaalsContact O-N 3.07Å; H344-S346 PolarHBondContact O-N 3.3Å; H344-A347 PolarHBondContact O-N 3.39Å; H344-M348 WeakPolarHBondContact O-CG 3.35Å; H344-M348 PolarHBondContact O-N 2.89Å
345	L	92	Very high	92.2	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-51.3	-48.3	-175.8	177.2	62.5	0	0	0	113.1	I341 A347 M348 L349 C372 A375 T381	I341-L345 WeakPolarHBondContact O-CB 3.33Å; I341-L345 PolarHBondContact O-N 2.91Å; L345-A347 VanDerWaalsContact C-N 3.33Å; L345-A347 PolarHBondContact O-N 2.93Å; L345-M348 WeakPolarHBondContact O-CB 3.24Å; L345-M348 PolarHBondContact O-N 2.94Å; L345-L349 HydrophobicContact CD1-CD1 4.02Å; L345-L349 HydrophobicContact CD1-CD2 4.48Å; L345-L349 HydrophobicContact CD1-CG 4.09Å; L345-L349 HydrophobicContact CG-CD1 4.1Å; L345-L349 WeakPolarHBondContact O-CG 3.45Å; L345-L349 PolarHBondContact O-N 2.94Å; L345-C372 WeakPolarHBondContact CD1-SG 3.17Å; L345-A375 HydrophobicContact CD2-CB 4.21Å; L345-T381 HydrophobicContact CD2-CG2 4.36Å
346	S	91	Very high	92.2	Very high	72 Å²	72	39.2 Å²	39.2	50%	0.503	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-44.8	179.5	-52	0	0	0	0	111.7	H344 M348 L349 E350	H344-S346 PolarHBondContact O-N 3.3Å; S346-M348 PolarHBondContact O-N 2.8Å; S346-L349 PolarHBondContact O-N 3.34Å; S346-E350 WeakPolarHBondContact O-CB 3.29Å; S346-E350 WeakPolarHBondContact O-CG 3.39Å; S346-E350 PolarHBondContact O-N 3.22Å
347	A	91.5	Very high	92	Very high	28 Å²	28	39.6 Å²	39.6	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-67.9	-34.7	178.4	0	0	0	0	0	112.8	I297 H344 L345 K351	I297-A347 HydrophobicContact CD1-CB 3.76Å; H344-A347 PolarHBondContact O-N 3.39Å; L345-A347 VanDerWaalsContact C-N 3.33Å; L345-A347 PolarHBondContact O-N 2.93Å; A347-K351 WeakPolarHBondContact O-CB 3.46Å; A347-K351 WeakPolarHBondContact O-CG 3.33Å; A347-K351 PolarHBondContact O-N 2.88Å
348	M	93	Very high	91.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-43.7	172.8	-65.9	170.4	61.9	0	0	111.2	I297 V302 F305 M306 H344 L345 S346 G352 L368 L371	I297-M348 HydrophobicContact CD1-CG 3.65Å; V302-M348 HydrophobicContact CG1-CB 4.11Å; V302-M348 HydrophobicContact CG1-CG 4.46Å; F305-M348 HydrophobicContact CD1-CE 4.5Å; F305-M348 HydrophobicContact CD1-CG 4.07Å; F305-M348 HydrophobicContact CD1-SD 4.21Å; F305-M348 HydrophobicContact CE1-CG 3.96Å; F305-M348 HydrophobicContact CE1-SD 3.79Å; M306-M348 HydrophobicContact CG-CE 3.49Å; M306-M348 VanDerWaalsContact CG-CE 3.49Å; M306-M348 HydrophobicContact SD-CE 3.88Å; H344-M348 WeakPolarHBondContact O-CG 3.35Å; H344-M348 PolarHBondContact O-N 2.89Å; L345-M348 WeakPolarHBondContact O-CB 3.24Å; L345-M348 PolarHBondContact O-N 2.94Å; S346-M348 PolarHBondContact O-N 2.8Å; M348-G352 WeakPolarHBondContact O-CA 3.31Å; M348-G352 PolarHBondContact O-N 2.94Å; M348-L368 HydrophobicContact CE-CD1 3.88Å; M348-L371 HydrophobicContact CE-CD1 4.38Å
349	L	93.8	Very high	91.8	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.228	C	C	.	.	I	π-helix	trans	-70.3	-47.8	179.8	-62.8	175.9	0	0	0	111.5	L345 S346 L353 L368 T381 L382 A385	L345-L349 HydrophobicContact CD1-CD1 4.02Å; L345-L349 HydrophobicContact CD1-CD2 4.48Å; L345-L349 HydrophobicContact CD1-CG 4.09Å; L345-L349 HydrophobicContact CG-CD1 4.1Å; L345-L349 WeakPolarHBondContact O-CG 3.45Å; L345-L349 PolarHBondContact O-N 2.94Å; S346-L349 PolarHBondContact O-N 3.34Å; L349-L353 HydrophobicContact CD2-CB 4.48Å; L349-L353 HydrophobicContact CD2-CD2 4.3Å; L349-L353 WeakPolarHBondContact O-CB 3.44Å; L349-L353 PolarHBondContact O-N 2.94Å; L349-L353 VanDerWaalsContact O-N 3.1Å; L349-L368 HydrophobicContact CD2-CD1 4.23Å; L349-L368 HydrophobicContact CD2-CD2 4Å; L349-T381 HydrophobicContact CD1-CG2 3.67Å; L349-L382 HydrophobicContact CD2-CB 4.37Å; L349-L382 HydrophobicContact CD2-CD1 3.52Å; L349-A385 HydrophobicContact CD1-CB 4.25Å
350	E	91.1	Very high	91.7	Very high	146 Å²	146	45.1 Å²	45.1	68%	0.682	24%	0.239	S	C	*	.	I	π-helix	trans	-61.1	-47.3	-179.6	-75.2	172.3	-172.4	0	0	112.7	S346	S346-E350 WeakPolarHBondContact O-CB 3.29Å; S346-E350 WeakPolarHBondContact O-CG 3.39Å; S346-E350 PolarHBondContact O-N 3.22Å
351	K	89	Confident	91.7	Very high	111 Å²	111	49.5 Å²	49.5	48%	0.483	26%	0.256	S	S	.	.	I	π-helix	trans	-80	-38.2	-178.3	-63.5	-175.4	-175.8	-174.8	0	113.3	I297 N298 V302 A347	I297-K351 PolarHBondContact O-NZ 3.13Å; N298-K351 PolarHBondContact OD1-NZ 3.24Å; V302-K351 HydrophobicContact CG2-CB 3.98Å; A347-K351 WeakPolarHBondContact O-CB 3.46Å; A347-K351 WeakPolarHBondContact O-CG 3.33Å; A347-K351 PolarHBondContact O-N 2.88Å
352	G	91	Very high	91.7	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	26%	0.26	C	S	.	.	I	π-helix	trans	-107.9	-30.8	-164.2	0	0	0	0	0	116.3	M348 N354 D355 M356	M348-G352 WeakPolarHBondContact O-CA 3.31Å; M348-G352 PolarHBondContact O-N 2.94Å; G352-N354 PolarHBondContact O-N 2.86Å; G352-D355 PolarHBondContact O-N 2.57Å; G352-M356 WeakPolarHBondContact O-CE 3.32Å; G352-M356 WeakPolarHBondContact O-CG 3.46Å; G352-M356 PolarHBondContact O-N 3.27Å
353	L	94.4	Very high	92	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.274	C	S	.	.	I	π-helix	trans	-64.3	-44	-168.2	-178.5	65.2	0	0	0	112.6	L349 D355 M356 L357 L365 L368 L382 A385 V386	L349-L353 HydrophobicContact CD2-CB 4.48Å; L349-L353 HydrophobicContact CD2-CD2 4.3Å; L349-L353 WeakPolarHBondContact O-CB 3.44Å; L349-L353 PolarHBondContact O-N 2.94Å; L349-L353 VanDerWaalsContact O-N 3.1Å; L353-D355 PolarHBondContact O-N 3.32Å; L353-M356 PolarHBondContact O-N 3.03Å; L353-L357 HydrophobicContact CD1-CD1 3.89Å; L353-L357 HydrophobicContact CD1-CG 4.11Å; L353-L357 HydrophobicContact CD2-CD1 4.29Å; L353-L357 HydrophobicContact CG-CD1 3.72Å; L353-L357 HydrophobicContact CG-CG 4.32Å; L353-L357 WeakPolarHBondContact O-CG 3.15Å; L353-L357 PolarHBondContact O-N 2.68Å; L353-L365 HydrophobicContact CD1-CD2 4Å; L353-L368 HydrophobicContact CD1-CD2 3.8Å; L353-L382 HydrophobicContact CD1-CD1 3.89Å; L353-L382 HydrophobicContact CD2-CD1 4.32Å; L353-A385 HydrophobicContact CD2-CB 3.52Å; L353-V386 HydrophobicContact CD1-CG2 4.07Å; L353-V386 HydrophobicContact CD2-CG2 3.93Å
354	N	92.6	Very high	92.4	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-49.3	-178.6	-63.4	-60.1	0	0	0	111	G352 M356 L357 D358 Y389 R392	G352-N354 PolarHBondContact O-N 2.86Å; N354-M356 VanDerWaalsContact C-N 3.33Å; N354-M356 PolarHBondContact O-N 3.36Å; N354-L357 PolarHBondContact O-N 3.08Å; N354-D358 WeakPolarHBondContact O-CB 3.39Å; N354-D358 VanDerWaalsContact O-CG 3.29Å; N354-D358 PolarHBondContact O-N 2.84Å; N354-Y389 WeakPolarHBondContact OD1-CD2 3.46Å; N354-R392 PolarHBondContact OD1-NH2 2.86Å
355	D	92.6	Very high	92.6	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-43.6	178.4	178.9	85	0	0	0	112.4	G352 L353 L357 H359 R361	G352-D355 PolarHBondContact O-N 2.57Å; L353-D355 PolarHBondContact O-N 3.32Å; D355-L357 VanDerWaalsContact C-N 3.33Å; D355-L357 PolarHBondContact O-N 3.12Å; D355-H359 WeakPolarHBondContact O-CB 3.43Å; D355-H359 PolarHBondContact O-N 3.15Å; D355-H359 PolarHBondContact O-ND1 3.07Å; D355-H359 VanDerWaalsContact O-ND1 3.15Å; D355-H359 IonicContact OD1-CE1 2.7Å; D355-H359 PolarHBondContact OD1-CE1 2.88Å; D355-H359 IonicContact OD1-ND1 2.84Å; D355-H359 PolarHBondContact OD1-ND1 3.01Å; D355-H359 IonicContact OD2-ND1 2.72Å; D355-R361 IonicContact OD1-NH2 2.73Å; D355-R361 IonicContact OD2-CZ 3.87Å; D355-R361 IonicContact OD2-NE 3.97Å; D355-R361 PolarHBondContact OD2-NE 2.97Å; D355-R361 VanDerWaalsContact OD2-NE 3.08Å; D355-R361 IonicContact OD2-NH2 3.65Å; D355-R361 PolarHBondContact OD2-NH2 3.45Å
356	M	94.1	Very high	92.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-34	-179.9	-70.1	-172.1	-79.3	0	0	112.8	V302 P303 M306 G352 L353 N354 F360 R361 Q364 L365 L368	V302-M356 HydrophobicContact CG1-CE 4.26Å; P303-M356 HydrophobicContact CG-CG 4.49Å; P303-M356 HydrophobicContact CG-SD 4.34Å; M306-M356 HydrophobicContact CE-CE 3.91Å; M306-M356 HydrophobicContact CE-SD 3.55Å; M306-M356 VanDerWaalsContact CE-SD 3.55Å; G352-M356 WeakPolarHBondContact O-CE 3.32Å; G352-M356 WeakPolarHBondContact O-CG 3.46Å; G352-M356 PolarHBondContact O-N 3.27Å; L353-M356 PolarHBondContact O-N 3.03Å; N354-M356 VanDerWaalsContact C-N 3.33Å; N354-M356 PolarHBondContact O-N 3.36Å; M356-F360 PolarHBondContact O-N 3.36Å; M356-F360 VanDerWaalsContact O-N 3.13Å; M356-R361 HydrophobicContact CB-CB 4.37Å; M356-R361 HydrophobicContact CG-CB 4.44Å; M356-R361 PolarHBondContact O-N 3.14Å; M356-Q364 HydrophobicContact CG-CB 4.45Å; M356-Q364 HydrophobicContact SD-CB 3.65Å; M356-L365 HydrophobicContact CB-CD2 3.7Å; M356-L365 HydrophobicContact CB-CG 4.05Å; M356-L368 HydrophobicContact CE-CD2 3.91Å
357	L	92.9	Very high	93	Very high	7 Å²	7	49 Å²	49	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-75.7	-45.4	175.8	-67.4	171.4	0	0	0	111.7	L353 N354 D355 F360 L365 V386 Y389 I421	L353-L357 HydrophobicContact CD1-CD1 3.89Å; L353-L357 HydrophobicContact CD1-CG 4.11Å; L353-L357 HydrophobicContact CD2-CD1 4.29Å; L353-L357 HydrophobicContact CG-CD1 3.72Å; L353-L357 HydrophobicContact CG-CG 4.32Å; L353-L357 WeakPolarHBondContact O-CG 3.15Å; L353-L357 PolarHBondContact O-N 2.68Å; N354-L357 PolarHBondContact O-N 3.08Å; D355-L357 VanDerWaalsContact C-N 3.33Å; D355-L357 PolarHBondContact O-N 3.12Å; L357-F360 PolarHBondContact O-N 3.5Å; L357-L365 HydrophobicContact CD2-CD1 3.83Å; L357-L365 HydrophobicContact CD2-CD2 3.8Å; L357-L365 HydrophobicContact CD2-CG 4.5Å; L357-L365 HydrophobicContact CG-CD2 4.1Å; L357-V386 HydrophobicContact CD1-CG2 4.41Å; L357-Y389 HydrophobicContact CB-CD1 4.19Å; L357-Y389 HydrophobicContact CB-CD2 4.3Å; L357-Y389 HydrophobicContact CB-CE1 3.76Å; L357-Y389 HydrophobicContact CB-CE2 3.89Å; L357-Y389 HydrophobicContact CB-CG 4.45Å; L357-Y389 HydrophobicContact CD1-CD1 3.5Å; L357-Y389 VanDerWaalsContact CD1-CD1 3.5Å; L357-Y389 HydrophobicContact CD1-CD2 3.92Å; L357-Y389 HydrophobicContact CD1-CE1 3.98Å; L357-Y389 HydrophobicContact CD1-CE2 4.35Å; L357-Y389 HydrophobicContact CD1-CG 3.48Å; L357-Y389 VanDerWaalsContact CD1-CG 3.48Å; L357-Y389 HydrophobicContact CG-CD1 4.39Å; L357-Y389 HydrophobicContact CG-CE1 4.41Å; L357-I421 HydrophobicContact CD2-CD1 3.94Å; L357-I421 HydrophobicContact CD2-CG2 4.43Å
358	D	90.5	Very high	93.2	Very high	82 Å²	82	47.7 Å²	47.7	44%	0.439	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-44.9	179.9	-71.6	-33.5	0	0	0	111.7	N354 F360 Y389	N354-D358 WeakPolarHBondContact O-CB 3.39Å; N354-D358 VanDerWaalsContact O-CG 3.29Å; N354-D358 PolarHBondContact O-N 2.84Å; D358-F360 VanDerWaalsContact C-N 3.33Å; D358-Y389 VanDerWaalsContact OD1-CE2 3.22Å; D358-Y389 WeakPolarHBondContact OD1-CE2 3.23Å; D358-Y389 VanDerWaalsContact OD1-CZ 3.3Å; D358-Y389 PolarHBondContact OD1-OH 3.3Å
359	H	92.4	Very high	93.3	Very high	125 Å²	125	48.5 Å²	48.5	58%	0.579	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	4.4	176.9	-61.7	108.3	0	0	0	114.3	D355 R361	D355-H359 WeakPolarHBondContact O-CB 3.43Å; D355-H359 PolarHBondContact O-N 3.15Å; D355-H359 PolarHBondContact O-ND1 3.07Å; D355-H359 VanDerWaalsContact O-ND1 3.15Å; D355-H359 IonicContact OD1-CE1 2.7Å; D355-H359 PolarHBondContact OD1-CE1 2.88Å; D355-H359 IonicContact OD1-ND1 2.84Å; D355-H359 PolarHBondContact OD1-ND1 3.01Å; D355-H359 IonicContact OD2-ND1 2.72Å; H359-R361 HydrophobicContact CB-CG 4.16Å; H359-R361 PolarHBondContact O-N 3.45Å
360	F	90.5	Very high	93.3	Very high	52 Å²	52	52.9 Å²	52.9	23%	0.228	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	38	170.6	-137.3	-109.1	0	0	0	114.6	M356 L357 D358 I362 K417 R420 I421	M356-F360 PolarHBondContact O-N 3.36Å; M356-F360 VanDerWaalsContact O-N 3.13Å; L357-F360 PolarHBondContact O-N 3.5Å; D358-F360 VanDerWaalsContact C-N 3.33Å; F360-I362 VanDerWaalsContact C-N 3.28Å; F360-I362 HydrophobicContact CD1-CD1 4.03Å; F360-I362 HydrophobicContact CD1-CG1 4.23Å; F360-I362 HydrophobicContact CE1-CD1 3.85Å; F360-I362 HydrophobicContact CE1-CG1 4.34Å; F360-I362 HydrophobicContact CZ-CD1 4.3Å; F360-I362 PolarHBondContact O-N 3.01Å; F360-K417 HydrophobicContact CD2-CD 4.42Å; F360-K417 HydrophobicContact CD2-CG 4.37Å; F360-K417 HydrophobicContact CE2-CB 3.53Å; F360-K417 HydrophobicContact CE2-CD 4.15Å; F360-K417 HydrophobicContact CE2-CG 3.68Å; F360-K417 WeakPolarHBondContact CE2-O 3.17Å; F360-K417 HydrophobicContact CZ-CB 3.89Å; F360-K417 HydrophobicContact CZ-CG 3.95Å; F360-K417 VanDerWaalsContact CZ-O 3.23Å; F360-K417 WeakPolarHBondContact CZ-O 3.34Å; F360-R420 HydrophobicContact CE1-CB 4.49Å; F360-R420 HydrophobicContact CE1-CG 4.21Å; F360-R420 HydrophobicContact CZ-CB 4.19Å; F360-R420 HydrophobicContact CZ-CG 4.4Å; F360-I421 HydrophobicContact CD2-CD1 3.93Å; F360-I421 HydrophobicContact CD2-CG1 4.31Å; F360-I421 HydrophobicContact CE2-CD1 3.46Å; F360-I421 VanDerWaalsContact CE2-CD1 3.46Å; F360-I421 HydrophobicContact CE2-CG1 3.65Å; F360-I421 HydrophobicContact CZ-CD1 4.2Å; F360-I421 HydrophobicContact CZ-CG1 3.88Å
361	R	93.4	Very high	93.5	Very high	91 Å²	91	46.2 Å²	46.2	34%	0.343	22%	0.22	S	C	.	.			trans	-77	69.4	-176.2	-54.4	-164.5	-159.8	-158.1	7.7	112.1	D355 M356 H359 D363 Q364 L365	D355-R361 IonicContact OD1-NH2 2.73Å; D355-R361 IonicContact OD2-CZ 3.87Å; D355-R361 IonicContact OD2-NE 3.97Å; D355-R361 PolarHBondContact OD2-NE 2.97Å; D355-R361 VanDerWaalsContact OD2-NE 3.08Å; D355-R361 IonicContact OD2-NH2 3.65Å; D355-R361 PolarHBondContact OD2-NH2 3.45Å; M356-R361 HydrophobicContact CB-CB 4.37Å; M356-R361 HydrophobicContact CG-CB 4.44Å; M356-R361 PolarHBondContact O-N 3.14Å; H359-R361 HydrophobicContact CB-CG 4.16Å; H359-R361 PolarHBondContact O-N 3.45Å; R361-D363 VanDerWaalsContact C-N 3.33Å; R361-D363 PolarHBondContact O-N 3.09Å; R361-Q364 HydrophobicContact CB-CB 4.11Å; R361-Q364 HydrophobicContact CB-CG 4.37Å; R361-Q364 PolarHBondContact O-N 3.36Å; R361-L365 PolarHBondContact O-N 2.91Å
362	I	93.3	Very high	93.6	Very high	18 Å²	18	41 Å²	41	9%	0.092	20%	0.197	C	C	.	.	H	α-helix	trans	-47.2	-48	-173.7	-62.6	-56.8	0	0	0	113.7	F360 Q364 L365 H366 I421 Q424 S425	F360-I362 VanDerWaalsContact C-N 3.28Å; F360-I362 HydrophobicContact CD1-CD1 4.03Å; F360-I362 HydrophobicContact CD1-CG1 4.23Å; F360-I362 HydrophobicContact CE1-CD1 3.85Å; F360-I362 HydrophobicContact CE1-CG1 4.34Å; F360-I362 HydrophobicContact CZ-CD1 4.3Å; F360-I362 PolarHBondContact O-N 3.01Å; I362-Q364 VanDerWaalsContact C-N 3.35Å; I362-Q364 PolarHBondContact O-N 2.88Å; I362-L365 PolarHBondContact O-N 3.45Å; I362-H366 WeakPolarHBondContact O-CB 3.41Å; I362-H366 PolarHBondContact O-N 3.45Å; I362-I421 HydrophobicContact CD1-CG1 3.77Å; I362-Q424 HydrophobicContact CG2-CB 3.56Å; I362-S425 PolarHBondContact O-OG 3.39Å
363	D	94.3	Very high	93.6	Very high	129 Å²	129	50.2 Å²	50.2	69%	0.69	23%	0.231	S	C	*	.	H	α-helix	trans	-67.1	-36.2	-176.7	-52.8	-55.2	0	0	0	112.3	R361 H366 L367	R361-D363 VanDerWaalsContact C-N 3.33Å; R361-D363 PolarHBondContact O-N 3.09Å; D363-H366 WeakPolarHBondContact O-CB 3.33Å; D363-H366 PolarHBondContact O-N 3.33Å; D363-L367 PolarHBondContact O-N 3.39Å
364	Q	95.1	Very high	93.2	Very high	39 Å²	39	53.6 Å²	53.6	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-75.3	-35.6	179	-62.3	-60.5	-30.5	0	0	111.5	P303 M306 M356 R361 I362 H366 L367 L368	P303-Q364 HydrophobicContact CB-CG 4.21Å; M306-Q364 HydrophobicContact CE-CB 4.14Å; M306-Q364 WeakPolarHBondContact CE-O 3.43Å; M356-Q364 HydrophobicContact CG-CB 4.45Å; M356-Q364 HydrophobicContact SD-CB 3.65Å; R361-Q364 HydrophobicContact CB-CB 4.11Å; R361-Q364 HydrophobicContact CB-CG 4.37Å; R361-Q364 PolarHBondContact O-N 3.36Å; I362-Q364 VanDerWaalsContact C-N 3.35Å; I362-Q364 PolarHBondContact O-N 2.88Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 3.33Å; Q364-L367 PolarHBondContact O-N 2.86Å; Q364-L368 WeakPolarHBondContact O-CB 3.48Å; Q364-L368 PolarHBondContact O-N 2.96Å
365	L	95.7	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-35.9	169.7	-67.9	168.6	0	0	0	111.9	L353 M356 L357 R361 I362 Y369 I421 S425 F426	L353-L365 HydrophobicContact CD1-CD2 4Å; M356-L365 HydrophobicContact CB-CD2 3.7Å; M356-L365 HydrophobicContact CB-CG 4.05Å; L357-L365 HydrophobicContact CD2-CD1 3.83Å; L357-L365 HydrophobicContact CD2-CD2 3.8Å; L357-L365 HydrophobicContact CD2-CG 4.5Å; L357-L365 HydrophobicContact CG-CD2 4.1Å; R361-L365 PolarHBondContact O-N 2.91Å; I362-L365 PolarHBondContact O-N 3.45Å; L365-Y369 WeakPolarHBondContact O-CB 3.43Å; L365-Y369 PolarHBondContact O-N 3.44Å; L365-I421 HydrophobicContact CD1-CD1 4.36Å; L365-I421 HydrophobicContact CD1-CG1 4.28Å; L365-I421 HydrophobicContact CD1-CG2 4.09Å; L365-S425 WeakPolarHBondContact CB-OG 3.28Å; L365-F426 HydrophobicContact CB-CE1 4.45Å
366	H	96.3	Very high	92.6	Very high	45 Å²	45	55.3 Å²	55.3	21%	0.208	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-40.6	175	-172.4	56.2	0	0	0	112.2	I362 D363 Q364 Y369 K370 S425 E427	I362-H366 WeakPolarHBondContact O-CB 3.41Å; I362-H366 PolarHBondContact O-N 3.45Å; D363-H366 WeakPolarHBondContact O-CB 3.33Å; D363-H366 PolarHBondContact O-N 3.33Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 3.33Å; H366-Y369 PolarHBondContact O-N 3.13Å; H366-K370 PolarHBondContact CD2-NZ 3.44Å; H366-K370 WeakPolarHBondContact NE2-CE 3.45Å; H366-K370 PolarHBondContact NE2-NZ 3.33Å; H366-K370 PolarHBondContact O-N 3.06Å; H366-S425 PolarHBondContact ND1-O 2.87Å; H366-E427 IonicContact CE1-OE1 2.65Å; H366-E427 PolarHBondContact CE1-OE1 3.27Å; H366-E427 VanDerWaalsContact CE1-OE1 3.25Å
367	L	95.6	Very high	92.2	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-46.5	173.1	-178	57.3	0	0	0	111.4	M306 N307 D363 Q364 Y369 K370 L371	M306-L367 HydrophobicContact CB-CD2 3.74Å; M306-L367 HydrophobicContact CB-CG 4.16Å; N307-L367 VanDerWaalsContact OD1-CD2 3.26Å; N307-L367 WeakPolarHBondContact OD1-CD2 3.49Å; D363-L367 PolarHBondContact O-N 3.39Å; Q364-L367 PolarHBondContact O-N 2.86Å; L367-Y369 VanDerWaalsContact C-N 3.32Å; L367-Y369 PolarHBondContact O-N 2.95Å; L367-K370 PolarHBondContact O-N 2.94Å; L367-K370 VanDerWaalsContact O-N 3.13Å; L367-L371 HydrophobicContact CD1-CD1 4.41Å; L367-L371 HydrophobicContact CD1-CG 4.26Å; L367-L371 HydrophobicContact CG-CD1 4.19Å; L367-L371 HydrophobicContact CG-CG 4.45Å; L367-L371 WeakPolarHBondContact O-CG 3.31Å; L367-L371 PolarHBondContact O-N 3.32Å
368	L	95.3	Very high	92.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-54.4	-47.8	173.9	-179.5	61	0	0	0	111.5	M306 M348 L349 L353 M356 Q364 K370 L371 C372 L382	M306-L368 HydrophobicContact CE-CB 4.32Å; M306-L368 HydrophobicContact SD-CB 3.6Å; M306-L368 HydrophobicContact SD-CD1 3.74Å; M306-L368 HydrophobicContact SD-CG 4.21Å; M348-L368 HydrophobicContact CE-CD1 3.88Å; L349-L368 HydrophobicContact CD2-CD1 4.23Å; L349-L368 HydrophobicContact CD2-CD2 4Å; L353-L368 HydrophobicContact CD1-CD2 3.8Å; M356-L368 HydrophobicContact CE-CD2 3.91Å; Q364-L368 WeakPolarHBondContact O-CB 3.48Å; Q364-L368 PolarHBondContact O-N 2.96Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 2.75Å; L368-L371 PolarHBondContact O-N 3.46Å; L368-C372 WeakPolarHBondContact O-CB 3.34Å; L368-C372 PolarHBondContact O-N 3.13Å; L368-C372 PolarHBondContact O-SG 3.32Å; L368-L382 HydrophobicContact CD2-CD1 3.67Å; L368-L382 HydrophobicContact CG-CD1 4.14Å; L368-L382 HydrophobicContact CG-CD2 4.3Å
369	Y	95.6	Very high	92.3	Very high	18 Å²	18	56.5 Å²	56.5	7%	0.071	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-41	176.9	173.3	-106.5	0	0	0	112.9	L365 H366 L367 H379 L382 F426 E427 N429 F432	L365-Y369 WeakPolarHBondContact O-CB 3.43Å; L365-Y369 PolarHBondContact O-N 3.44Å; H366-Y369 PolarHBondContact O-N 3.13Å; L367-Y369 VanDerWaalsContact C-N 3.32Å; L367-Y369 PolarHBondContact O-N 2.95Å; Y369-H379 AromaticContact CD2-CD2 3.83Å; Y369-H379 AromaticContact CD2-NE2 3.53Å; Y369-H379 AromaticContact CE2-CD2 3.79Å; Y369-H379 AromaticContact CE2-CE1 3.58Å; Y369-H379 AromaticContact CE2-NE2 3.36Å; Y369-H379 WeakPolarHBondContact CE2-NE2 3.19Å; Y369-H379 AromaticContact CZ-CE1 3.8Å; Y369-H379 AromaticContact CZ-NE2 3.88Å; Y369-H379 PolarHBondContact O-NE2 3.39Å; Y369-L382 HydrophobicContact CD2-CD2 4.45Å; Y369-F426 HydrophobicContact CD2-CD1 4.03Å; Y369-F426 HydrophobicContact CG-CD1 4.03Å; Y369-E427 HydrophobicContact CE1-CB 4.34Å; Y369-E427 HydrophobicContact CE1-CG 4.08Å; Y369-N429 HydrophobicContact CE2-CB 4.44Å; Y369-N429 PolarHBondContact OH-ND2 3.31Å; Y369-F432 HydrophobicContact CD2-CE2 4.15Å; Y369-F432 HydrophobicContact CD2-CZ 4.24Å; Y369-F432 HydrophobicContact CE2-CD2 4.39Å; Y369-F432 AromaticContact CE2-CE2 3.9Å; Y369-F432 HydrophobicContact CE2-CE2 3.9Å; Y369-F432 HydrophobicContact CE2-CZ 4.44Å
370	K	94.3	Very high	92.3	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-46.5	174.4	-74.7	176.2	178.1	166.9	0	112.3	H366 L367 L368 C372 R373	H366-K370 PolarHBondContact CD2-NZ 3.44Å; H366-K370 WeakPolarHBondContact NE2-CE 3.45Å; H366-K370 PolarHBondContact NE2-NZ 3.33Å; H366-K370 PolarHBondContact O-N 3.06Å; L367-K370 PolarHBondContact O-N 2.94Å; L367-K370 VanDerWaalsContact O-N 3.13Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 2.75Å; K370-C372 VanDerWaalsContact C-N 3.35Å; K370-C372 PolarHBondContact O-N 2.75Å; K370-R373 VanDerWaalsContact O-CB 3.26Å; K370-R373 WeakPolarHBondContact O-CB 3.49Å; K370-R373 PolarHBondContact O-N 3.48Å
371	L	94.1	Very high	92.4	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-41	179.1	-66.2	177.4	0	0	0	111.7	M306 V309 I341 M348 L367 L368 R373 H374	M306-L371 HydrophobicContact CB-CD1 3.73Å; M306-L371 HydrophobicContact CG-CD1 3.72Å; M306-L371 HydrophobicContact SD-CD1 4.27Å; V309-L371 HydrophobicContact CG1-CD1 4.44Å; V309-L371 HydrophobicContact CG1-CD2 3.96Å; I341-L371 HydrophobicContact CD1-CB 4.13Å; I341-L371 HydrophobicContact CD1-CD2 3.95Å; M348-L371 HydrophobicContact CE-CD1 4.38Å; L367-L371 HydrophobicContact CD1-CD1 4.41Å; L367-L371 HydrophobicContact CD1-CG 4.26Å; L367-L371 HydrophobicContact CG-CD1 4.19Å; L367-L371 HydrophobicContact CG-CG 4.45Å; L367-L371 WeakPolarHBondContact O-CG 3.31Å; L367-L371 PolarHBondContact O-N 3.32Å; L368-L371 PolarHBondContact O-N 3.46Å; L371-R373 PolarHBondContact O-N 3.31Å; L371-R373 VanDerWaalsContact O-N 3.11Å; L371-H374 WeakPolarHBondContact O-CB 3.26Å; L371-H374 PolarHBondContact O-N 3.31Å
372	C	92.7	Very high	92.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-23	176.6	-73.7	0	0	0	0	114	L345 L368 K370 H374 A375 G378 L382	L345-C372 WeakPolarHBondContact CD1-SG 3.17Å; L368-C372 WeakPolarHBondContact O-CB 3.34Å; L368-C372 PolarHBondContact O-N 3.13Å; L368-C372 PolarHBondContact O-SG 3.32Å; K370-C372 VanDerWaalsContact C-N 3.35Å; K370-C372 PolarHBondContact O-N 2.75Å; C372-H374 PolarHBondContact O-N 3.46Å; C372-A375 PolarHBondContact O-N 3.07Å; C372-G378 VanDerWaalsContact O-CA 3.3Å; C372-G378 WeakPolarHBondContact O-CA 3.48Å; C372-L382 HydrophobicContact CB-CD2 4.27Å
373	R	89.4	Confident	92.5	Very high	199 Å²	199	50.6 Å²	50.6	75%	0.751	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22	174.8	-171.5	179.5	171.7	-176.7	-1.2	112.9	K370 L371	K370-R373 VanDerWaalsContact O-CB 3.26Å; K370-R373 WeakPolarHBondContact O-CB 3.49Å; K370-R373 PolarHBondContact O-N 3.48Å; L371-R373 PolarHBondContact O-N 3.31Å; L371-R373 VanDerWaalsContact O-N 3.11Å
374	H	87.3	Confident	92.4	Very high	75 Å²	75	49.5 Å²	49.5	35%	0.347	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.8	-177	-59.9	-52.5	0	0	0	114.1	Q337 I341 L371 C372	Q337-H374 HydrophobicContact CB-CB 4.16Å; Q337-H374 HydrophobicContact CG-CB 3.99Å; Q337-H374 PolarHBondContact NE2-CE1 2.91Å; Q337-H374 PolarHBondContact NE2-ND1 3.33Å; Q337-H374 VanDerWaalsContact NE2-ND1 3.17Å; I341-H374 HydrophobicContact CD1-CB 3.9Å; L371-H374 WeakPolarHBondContact O-CB 3.26Å; L371-H374 PolarHBondContact O-N 3.31Å; C372-H374 PolarHBondContact O-N 3.46Å
375	A	87	Confident	92.3	Very high	11 Å²	11	49 Å²	49	9%	0.091	25%	0.25	C	S	.	.	S	Bend	trans	-100.3	136.7	170.3	0	0	0	0	0	109.8	L345 C372 T377 G378	L345-A375 HydrophobicContact CD2-CB 4.21Å; C372-A375 PolarHBondContact O-N 3.07Å; A375-T377 PolarHBondContact O-N 2.93Å; A375-T377 VanDerWaalsContact O-N 3.1Å; A375-G378 PolarHBondContact O-N 3.36Å
376	P	84.7	Confident	92.1	Very high	138 Å²	138	49 Å²	49	90%	0.896	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-35.5	-174.2	-29.6	35.7	0	0	0	115.3
377	T	86.6	Confident	91.9	Very high	75 Å²	75	47.9 Å²	47.9	46%	0.46	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	14.9	177.1	54.3	0	0	0	0	112.3	A375 H379 E380 T381	A375-T377 PolarHBondContact O-N 2.93Å; A375-T377 VanDerWaalsContact O-N 3.1Å; T377-H379 PolarHBondContact O-N 3.5Å; T377-E380 PolarHBondContact O-N 3.02Å; T377-E380 VanDerWaalsContact O-N 3.16Å; T377-T381 PolarHBondContact O-N 3.35Å; T377-T381 PolarHBondContact O-OG1 2.96Å
378	G	91.8	Very high	91.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-39.1	-165.7	0	0	0	0	0	114.3	C372 A375 L382	C372-G378 VanDerWaalsContact O-CA 3.3Å; C372-G378 WeakPolarHBondContact O-CA 3.48Å; A375-G378 PolarHBondContact O-N 3.36Å; G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 PolarHBondContact O-N 3.03Å
379	H	93.5	Very high	91.5	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-37.5	173.1	-75.8	169.3	0	0	0	112.6	Y369 T377 C383 L431 F432	Y369-H379 AromaticContact CD2-CD2 3.83Å; Y369-H379 AromaticContact CD2-NE2 3.53Å; Y369-H379 AromaticContact CE2-CD2 3.79Å; Y369-H379 AromaticContact CE2-CE1 3.58Å; Y369-H379 AromaticContact CE2-NE2 3.36Å; Y369-H379 WeakPolarHBondContact CE2-NE2 3.19Å; Y369-H379 AromaticContact CZ-CE1 3.8Å; Y369-H379 AromaticContact CZ-NE2 3.88Å; Y369-H379 PolarHBondContact O-NE2 3.39Å; T377-H379 PolarHBondContact O-N 3.5Å; H379-C383 WeakPolarHBondContact O-CB 3.34Å; H379-C383 PolarHBondContact O-N 3.33Å; H379-L431 HydrophobicContact CB-CD2 4.44Å; H379-F432 HydrophobicContact CB-CE2 4.25Å; H379-F432 WeakPolarHBondContact O-CZ 3.28Å
380	E	92.5	Very high	91.3	Very high	111 Å²	111	50.6 Å²	50.6	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-45.3	175.7	-60.1	-178.9	161.2	0	0	111.5	T377 C383 N384 L431	T377-E380 PolarHBondContact O-N 3.02Å; T377-E380 VanDerWaalsContact O-N 3.16Å; E380-C383 WeakPolarHBondContact O-CB 3.44Å; E380-C383 PolarHBondContact O-N 3.49Å; E380-N384 WeakPolarHBondContact O-CB 3.49Å; E380-N384 VanDerWaalsContact O-CG 3.31Å; E380-N384 PolarHBondContact O-N 3.37Å; E380-N384 PolarHBondContact O-ND2 3.2Å; E380-L431 HydrophobicContact CG-CD2 4.14Å
381	T	92.7	Very high	91.2	Very high	46 Å²	46	46.4 Å²	46.4	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-46.2	177.8	-52.5	0	0	0	0	111.5	L345 L349 T377 N384 A385	L345-T381 HydrophobicContact CD2-CG2 4.36Å; L349-T381 HydrophobicContact CD1-CG2 3.67Å; T377-T381 PolarHBondContact O-N 3.35Å; T377-T381 PolarHBondContact O-OG1 2.96Å; T381-N384 PolarHBondContact O-N 3.32Å; T381-A385 WeakPolarHBondContact O-CB 3.36Å; T381-A385 PolarHBondContact O-N 3.39Å
382	L	94.7	Very high	91.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-44.1	174	173.6	62.1	0	0	0	111.2	L349 L353 L368 Y369 C372 G378 N384 A385 V386 F426 F432	L349-L382 HydrophobicContact CD2-CB 4.37Å; L349-L382 HydrophobicContact CD2-CD1 3.52Å; L353-L382 HydrophobicContact CD1-CD1 3.89Å; L353-L382 HydrophobicContact CD2-CD1 4.32Å; L368-L382 HydrophobicContact CD2-CD1 3.67Å; L368-L382 HydrophobicContact CG-CD1 4.14Å; L368-L382 HydrophobicContact CG-CD2 4.3Å; Y369-L382 HydrophobicContact CD2-CD2 4.45Å; C372-L382 HydrophobicContact CB-CD2 4.27Å; G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 PolarHBondContact O-N 3.03Å; L382-N384 PolarHBondContact O-N 3.34Å; L382-A385 PolarHBondContact O-N 2.98Å; L382-V386 HydrophobicContact CD1-CG2 3.91Å; L382-V386 HydrophobicContact CG-CG2 4.4Å; L382-V386 VanDerWaalsContact O-CG2 3.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.23Å; L382-V386 PolarHBondContact O-N 2.87Å; L382-F426 HydrophobicContact CD2-CE1 4.29Å; L382-F432 HydrophobicContact CB-CZ 4.19Å; L382-F432 HydrophobicContact CD2-CE1 4.1Å; L382-F432 HydrophobicContact CD2-CZ 3.84Å; L382-F432 HydrophobicContact CG-CE1 3.87Å; L382-F432 HydrophobicContact CG-CZ 3.86Å
383	C	93.8	Very high	91	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.034	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-45.8	179.1	-169.3	0	0	0	0	111.9	H379 E380 A385 V386 C387 L431 F432 S435	H379-C383 WeakPolarHBondContact O-CB 3.34Å; H379-C383 PolarHBondContact O-N 3.33Å; E380-C383 WeakPolarHBondContact O-CB 3.44Å; E380-C383 PolarHBondContact O-N 3.49Å; C383-A385 PolarHBondContact O-N 3.01Å; C383-V386 PolarHBondContact O-N 3.2Å; C383-C387 WeakPolarHBondContact O-CB 3.47Å; C383-C387 PolarHBondContact O-N 2.87Å; C383-L431 HydrophobicContact CB-CD2 4.21Å; C383-L431 HydrophobicContact CB-CG 4.3Å; C383-F432 HydrophobicContact CB-CD1 4.22Å; C383-F432 HydrophobicContact CB-CD2 4.49Å; C383-F432 HydrophobicContact CB-CE1 3.88Å; C383-F432 HydrophobicContact CB-CE2 4.17Å; C383-F432 HydrophobicContact CB-CZ 3.84Å; C383-S435 WeakPolarHBondContact SG-CB 3.33Å
384	N	92.4	Very high	91.1	Very high	105 Å²	105	43 Å²	43	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-62.5	-41.2	175.6	-72.5	-31.7	0	0	0	112.5	E380 T381 L382 C387 S388	E380-N384 WeakPolarHBondContact O-CB 3.49Å; E380-N384 VanDerWaalsContact O-CG 3.31Å; E380-N384 PolarHBondContact O-N 3.37Å; E380-N384 PolarHBondContact O-ND2 3.2Å; T381-N384 PolarHBondContact O-N 3.32Å; L382-N384 PolarHBondContact O-N 3.34Å; N384-C387 WeakPolarHBondContact O-CB 3.31Å; N384-C387 PolarHBondContact O-N 3.26Å; N384-S388 WeakPolarHBondContact O-CB 3.4Å; N384-S388 PolarHBondContact O-N 3.45Å; N384-S388 PolarHBondContact O-OG 3.04Å
385	A	92.3	Very high	91.2	Very high	29 Å²	29	42.4 Å²	42.4	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-43.6	177.7	0	0	0	0	0	111.7	L349 L353 T381 L382 C383 S388 Y389	L349-A385 HydrophobicContact CD1-CB 4.25Å; L353-A385 HydrophobicContact CD2-CB 3.52Å; T381-A385 WeakPolarHBondContact O-CB 3.36Å; T381-A385 PolarHBondContact O-N 3.39Å; L382-A385 PolarHBondContact O-N 2.98Å; C383-A385 PolarHBondContact O-N 3.01Å; A385-S388 PolarHBondContact O-N 3.46Å; A385-Y389 PolarHBondContact O-N 2.86Å
386	V	91.8	Very high	91.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-41.4	173.7	179.2	0	0	0	0	110.7	L353 L357 L382 C383 S388 Y389 L390 F426 F436	L353-V386 HydrophobicContact CD1-CG2 4.07Å; L353-V386 HydrophobicContact CD2-CG2 3.93Å; L357-V386 HydrophobicContact CD1-CG2 4.41Å; L382-V386 HydrophobicContact CD1-CG2 3.91Å; L382-V386 HydrophobicContact CG-CG2 4.4Å; L382-V386 VanDerWaalsContact O-CG2 3.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.23Å; L382-V386 PolarHBondContact O-N 2.87Å; C383-V386 PolarHBondContact O-N 3.2Å; V386-S388 VanDerWaalsContact C-N 3.31Å; V386-S388 PolarHBondContact O-N 3.49Å; V386-Y389 WeakPolarHBondContact O-CB 3.47Å; V386-Y389 PolarHBondContact O-N 3.21Å; V386-L390 HydrophobicContact CG1-CD1 4.12Å; V386-L390 HydrophobicContact CG1-CG 4.17Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.27Å; V386-F426 HydrophobicContact CG1-CE2 4.35Å; V386-F426 HydrophobicContact CG2-CE2 4.26Å; V386-F426 HydrophobicContact CG2-CZ 4.07Å; V386-F436 HydrophobicContact CB-CE2 4.42Å; V386-F436 HydrophobicContact CG1-CD2 4.42Å; V386-F436 HydrophobicContact CG1-CE2 3.37Å; V386-F436 HydrophobicContact CG1-CZ 3.6Å
387	C	91.2	Very high	91.4	Very high	21 Å²	21	41.3 Å²	41.3	14%	0.142	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-45.3	175	-159.1	0	0	0	0	111.9	C383 N384 Y389 L390 T391 S435	C383-C387 WeakPolarHBondContact O-CB 3.47Å; C383-C387 PolarHBondContact O-N 2.87Å; N384-C387 WeakPolarHBondContact O-CB 3.31Å; N384-C387 PolarHBondContact O-N 3.26Å; C387-Y389 VanDerWaalsContact C-N 3.35Å; C387-Y389 PolarHBondContact O-N 3.03Å; C387-L390 PolarHBondContact O-N 3.48Å; C387-T391 WeakPolarHBondContact O-CB 3.4Å; C387-T391 PolarHBondContact O-N 3.36Å; C387-T391 PolarHBondContact O-OG1 2.92Å; C387-S435 VanDerWaalsContact CB-OG 3.22Å; C387-S435 WeakPolarHBondContact CB-OG 3.48Å; C387-S435 PolarHBondContact SG-OG 2.84Å
388	S	91.7	Very high	91.3	Very high	79 Å²	79	37.7 Å²	37.7	55%	0.552	20%	0.196	S	C	*	.	H	α-helix	trans	-62.4	-41	177.7	-58.4	0	0	0	0	112	N384 A385 V386 R392	N384-S388 WeakPolarHBondContact O-CB 3.4Å; N384-S388 PolarHBondContact O-N 3.45Å; N384-S388 PolarHBondContact O-OG 3.04Å; A385-S388 PolarHBondContact O-N 3.46Å; V386-S388 VanDerWaalsContact C-N 3.31Å; V386-S388 PolarHBondContact O-N 3.49Å; S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 PolarHBondContact O-N 2.91Å
389	Y	91.9	Very high	90.7	Very high	16 Å²	16	39.3 Å²	39.3	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-50.9	171.9	170.7	-87.2	0	0	0	111.7	N354 L357 D358 A385 V386 C387 T391 R392 M393 F414	N354-Y389 WeakPolarHBondContact OD1-CD2 3.46Å; L357-Y389 HydrophobicContact CB-CD1 4.19Å; L357-Y389 HydrophobicContact CB-CD2 4.3Å; L357-Y389 HydrophobicContact CB-CE1 3.76Å; L357-Y389 HydrophobicContact CB-CE2 3.89Å; L357-Y389 HydrophobicContact CB-CG 4.45Å; L357-Y389 HydrophobicContact CD1-CD1 3.5Å; L357-Y389 VanDerWaalsContact CD1-CD1 3.5Å; L357-Y389 HydrophobicContact CD1-CD2 3.92Å; L357-Y389 HydrophobicContact CD1-CE1 3.98Å; L357-Y389 HydrophobicContact CD1-CE2 4.35Å; L357-Y389 HydrophobicContact CD1-CG 3.48Å; L357-Y389 VanDerWaalsContact CD1-CG 3.48Å; L357-Y389 HydrophobicContact CG-CD1 4.39Å; L357-Y389 HydrophobicContact CG-CE1 4.41Å; D358-Y389 VanDerWaalsContact OD1-CE2 3.22Å; D358-Y389 WeakPolarHBondContact OD1-CE2 3.23Å; D358-Y389 VanDerWaalsContact OD1-CZ 3.3Å; D358-Y389 PolarHBondContact OD1-OH 3.3Å; A385-Y389 PolarHBondContact O-N 2.86Å; V386-Y389 WeakPolarHBondContact O-CB 3.47Å; V386-Y389 PolarHBondContact O-N 3.21Å; C387-Y389 VanDerWaalsContact C-N 3.35Å; C387-Y389 PolarHBondContact O-N 3.03Å; Y389-T391 PolarHBondContact O-N 3.38Å; Y389-R392 PolarHBondContact O-N 3.49Å; Y389-M393 HydrophobicContact CE1-CB 4.37Å; Y389-M393 WeakPolarHBondContact O-CB 3.47Å; Y389-M393 PolarHBondContact O-N 3.35Å; Y389-F414 HydrophobicContact CE1-CE2 4.48Å
390	L	91.8	Very high	89.7	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-47.1	-178.1	-70.3	175.5	0	0	0	111.9	V386 C387 G394 F414 C418 F436	V386-L390 HydrophobicContact CG1-CD1 4.12Å; V386-L390 HydrophobicContact CG1-CG 4.17Å; V386-L390 VanDerWaalsContact O-CG 3.28Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.27Å; C387-L390 PolarHBondContact O-N 3.48Å; L390-G394 WeakPolarHBondContact O-CA 3.4Å; L390-G394 PolarHBondContact O-N 2.82Å; L390-F414 HydrophobicContact CD2-CE1 4.31Å; L390-F414 HydrophobicContact CD2-CE2 4.38Å; L390-F414 HydrophobicContact CD2-CZ 3.66Å; L390-C418 HydrophobicContact CD2-CB 4.47Å; L390-C418 WeakPolarHBondContact CD2-SG 3.44Å; L390-F436 HydrophobicContact CD1-CB 4.23Å; L390-F436 HydrophobicContact CD1-CD1 3.64Å; L390-F436 HydrophobicContact CD1-CD2 3.45Å; L390-F436 VanDerWaalsContact CD1-CD2 3.45Å; L390-F436 HydrophobicContact CD1-CE1 3.78Å; L390-F436 HydrophobicContact CD1-CE2 3.63Å; L390-F436 HydrophobicContact CD1-CG 3.47Å; L390-F436 VanDerWaalsContact CD1-CG 3.47Å; L390-F436 HydrophobicContact CD1-CZ 3.78Å; L390-F436 HydrophobicContact CD2-CE1 4.29Å
391	T	91.5	Very high	88.8	Confident	14 Å²	14	40.9 Å²	40.9	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-45.9	176.3	-69.8	0	0	0	0	110.9	C387 Y389 K395 E442	C387-T391 WeakPolarHBondContact O-CB 3.4Å; C387-T391 PolarHBondContact O-N 3.36Å; C387-T391 PolarHBondContact O-OG1 2.92Å; Y389-T391 PolarHBondContact O-N 3.38Å; T391-K395 HydrophobicContact CG2-CD 3.92Å; T391-K395 VanDerWaalsContact CG2-CE 3.48Å; T391-K395 VanDerWaalsContact O-CB 3.32Å; T391-K395 WeakPolarHBondContact O-CB 3.47Å; T391-K395 VanDerWaalsContact O-CG 3.23Å; T391-K395 WeakPolarHBondContact O-CG 3.28Å; T391-K395 PolarHBondContact O-N 3.47Å; T391-E442 HydrophobicContact CG2-CG 4.43Å; T391-E442 VanDerWaalsContact CG2-OE1 3.29Å; T391-E442 WeakPolarHBondContact CG2-OE1 3.33Å; T391-E442 WeakPolarHBondContact CG2-OE2 3.46Å; T391-E442 PolarHBondContact OG1-OE2 2.68Å
392	R	92	Very high	87.9	Confident	104 Å²	104	48 Å²	48	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-52.9	179.7	176.9	174.6	63	77.8	-7.3	111.8	N354 S388 Y389 K395 Q396	N354-R392 PolarHBondContact OD1-NH2 2.86Å; S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 PolarHBondContact O-N 2.91Å; Y389-R392 PolarHBondContact O-N 3.49Å; R392-K395 PolarHBondContact O-N 3.25Å; R392-Q396 WeakPolarHBondContact O-CG 3.38Å; R392-Q396 PolarHBondContact O-N 3.03Å; R392-Q396 VanDerWaalsContact O-N 3.14Å
393	M	91.3	Very high	87.4	Confident	30 Å²	30	52.5 Å²	52.5	15%	0.148	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-43.3	-175.8	-146.2	-55.1	-57.1	0	0	110.6	Y389 K395 Q396 L397 F414	Y389-M393 HydrophobicContact CE1-CB 4.37Å; Y389-M393 WeakPolarHBondContact O-CB 3.47Å; Y389-M393 PolarHBondContact O-N 3.35Å; M393-K395 VanDerWaalsContact C-N 3.32Å; M393-K395 PolarHBondContact O-N 3.36Å; M393-Q396 WeakPolarHBondContact O-CA 3.46Å; M393-Q396 WeakPolarHBondContact O-CB 3.22Å; M393-Q396 PolarHBondContact O-N 3.44Å; M393-L397 HydrophobicContact CE-CD1 3.39Å; M393-L397 HydrophobicContact CE-CD2 4.4Å; M393-L397 HydrophobicContact CE-CG 3.6Å; M393-L397 PolarHBondContact O-N 3.41Å; M393-L397 VanDerWaalsContact O-N 3.07Å; M393-L397 HydrophobicContact SD-CD1 4.41Å; M393-L397 HydrophobicContact SD-CD2 4.43Å; M393-L397 HydrophobicContact SD-CG 4.02Å; M393-F414 HydrophobicContact CB-CZ 4.25Å; M393-F414 HydrophobicContact CE-CD1 4.09Å; M393-F414 HydrophobicContact CE-CD2 3.39Å; M393-F414 HydrophobicContact CE-CE1 4.06Å; M393-F414 HydrophobicContact CE-CE2 3.38Å; M393-F414 HydrophobicContact CE-CG 3.77Å; M393-F414 HydrophobicContact CE-CZ 3.71Å
394	G	90.3	Very high	86.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-40.2	175.5	0	0	0	0	0	113	L390 L397 A398 V443	L390-G394 WeakPolarHBondContact O-CA 3.4Å; L390-G394 PolarHBondContact O-N 2.82Å; G394-L397 PolarHBondContact O-N 2.99Å; G394-A398 VanDerWaalsContact O-CB 3.28Å; G394-A398 WeakPolarHBondContact O-CB 3.48Å; G394-A398 PolarHBondContact O-N 2.81Å; G394-V443 VanDerWaalsContact C-CG1 3.45Å; G394-V443 WeakPolarHBondContact O-CG1 3.34Å
395	K	89.1	Confident	86.5	Confident	62 Å²	62	54.4 Å²	54.4	27%	0.27	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-36.1	172.1	-75.6	172.1	-177.1	173.6	0	112.4	T391 R392 M393 L397 A398 C399 E442 V443 S446	T391-K395 HydrophobicContact CG2-CD 3.92Å; T391-K395 VanDerWaalsContact CG2-CE 3.48Å; T391-K395 VanDerWaalsContact O-CB 3.32Å; T391-K395 WeakPolarHBondContact O-CB 3.47Å; T391-K395 VanDerWaalsContact O-CG 3.23Å; T391-K395 WeakPolarHBondContact O-CG 3.28Å; T391-K395 PolarHBondContact O-N 3.47Å; R392-K395 PolarHBondContact O-N 3.25Å; M393-K395 VanDerWaalsContact C-N 3.32Å; M393-K395 PolarHBondContact O-N 3.36Å; K395-L397 PolarHBondContact O-N 3.33Å; K395-A398 PolarHBondContact O-N 3.19Å; K395-C399 WeakPolarHBondContact O-CB 3.38Å; K395-C399 PolarHBondContact O-N 3Å; K395-C399 PolarHBondContact O-SG 2.94Å; K395-E442 IonicContact NZ-OE1 3.82Å; K395-E442 PolarHBondContact NZ-OE1 3.17Å; K395-V443 HydrophobicContact CG-CG2 4.44Å; K395-S446 WeakPolarHBondContact CE-OG 3.22Å
396	Q	89.1	Confident	86.3	Confident	92 Å²	92	53.8 Å²	53.8	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-40.7	174.3	-71.9	175.2	-33.1	0	0	112	R392 M393 N400	R392-Q396 WeakPolarHBondContact O-CG 3.38Å; R392-Q396 PolarHBondContact O-N 3.03Å; R392-Q396 VanDerWaalsContact O-N 3.14Å; M393-Q396 WeakPolarHBondContact O-CA 3.46Å; M393-Q396 WeakPolarHBondContact O-CB 3.22Å; M393-Q396 PolarHBondContact O-N 3.44Å; Q396-N400 WeakPolarHBondContact O-CB 3.45Å
397	L	87.3	Confident	86.3	Confident	34 Å²	34	53.8 Å²	53.8	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-38	174.2	-65.2	-176.4	0	0	0	113.4	M393 G394 K395 E410 L411 F414	M393-L397 HydrophobicContact CE-CD1 3.39Å; M393-L397 HydrophobicContact CE-CD2 4.4Å; M393-L397 HydrophobicContact CE-CG 3.6Å; M393-L397 PolarHBondContact O-N 3.41Å; M393-L397 VanDerWaalsContact O-N 3.07Å; M393-L397 HydrophobicContact SD-CD1 4.41Å; M393-L397 HydrophobicContact SD-CD2 4.43Å; M393-L397 HydrophobicContact SD-CG 4.02Å; G394-L397 PolarHBondContact O-N 2.99Å; K395-L397 PolarHBondContact O-N 3.33Å; L397-E410 HydrophobicContact CD1-CB 4.3Å; L397-E410 HydrophobicContact CD2-CB 4.47Å; L397-L411 HydrophobicContact CB-CD2 4.24Å; L397-F414 HydrophobicContact CD1-CB 3.77Å; L397-F414 HydrophobicContact CD1-CD1 4.44Å; L397-F414 HydrophobicContact CD1-CG 4.06Å
398	A	84	Confident	86.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-89.7	-21.9	-171.1	0	0	0	0	0	115.3	G394 K395 L411 V443 C447	G394-A398 VanDerWaalsContact O-CB 3.28Å; G394-A398 WeakPolarHBondContact O-CB 3.48Å; G394-A398 PolarHBondContact O-N 2.81Å; K395-A398 PolarHBondContact O-N 3.19Å; A398-L411 HydrophobicContact CB-CD1 4.33Å; A398-L411 HydrophobicContact CB-CD2 4.36Å; A398-V443 HydrophobicContact CB-CG1 4.11Å; A398-C447 HydrophobicContact CB-CB 4.25Å; A398-C447 PolarHBondContact O-SG 3.33Å
399	C	79.7	Confident	86.3	Confident	34 Å²	34	51.9 Å²	51.9	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-121.1	-21.2	-169.6	-50.8	0	0	0	0	114.4	K395 P448	K395-C399 WeakPolarHBondContact O-CB 3.38Å; K395-C399 PolarHBondContact O-N 3Å; K395-C399 PolarHBondContact O-SG 2.94Å; C399-P448 HydrophobicContact CB-CG 4.22Å; C399-P448 WeakPolarHBondContact SG-CD 3.18Å
400	N	73.5	Confident	86.3	Confident	120 Å²	120	54.3 Å²	54.3	64%	0.642	27%	0.272	S	S	*	.	S	Bend	trans	-101.7	15	-172.1	-60.3	0.2	0	0	0	113.4	Q396	Q396-N400 WeakPolarHBondContact O-CB 3.45Å
401	K	72.1	Confident	86.3	Confident	63 Å²	63	54.2 Å²	54.2	27%	0.274	27%	0.272	S	S	.	.			trans	-110.8	130.4	-176.7	-88.2	-165.5	160.5	-168.2	0	112.8	I407 E410	K401-I407 HydrophobicContact CB-CG1 4.28Å; K401-E410 WeakPolarHBondContact CE-OE2 3.43Å; K401-E410 IonicContact NZ-OE1 2.66Å; K401-E410 PolarHBondContact NZ-OE1 2.83Å; K401-E410 IonicContact NZ-OE2 3.55Å; K401-E410 PolarHBondContact NZ-OE2 2.93Å
402	E	75.2	Confident	86.4	Confident	195 Å²	195	54.2 Å²	54.2	91%	0.911	27%	0.271	S	S	*	.	S	Bend	trans	-74.9	-29.5	169.8	-59.7	-175.5	164.5	0	0	112.5	E404	E402-E404 PolarHBondContact O-N 3.24Å
403	D	83.8	Confident	86.4	Confident	94 Å²	94	53.5 Å²	53.5	50%	0.503	28%	0.275	S	S	.	.			trans	-87.8	97	176.5	178.3	25	0	0	0	111.9	D405 G406	D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 2.9Å; D403-D405 PolarHBondContact OD1-N 2.68Å; D403-D405 VanDerWaalsContact OD1-N 3.13Å; D403-G406 PolarHBondContact O-N 3.34Å
404	E	83.7	Confident	86.5	Confident	60 Å²	60	52.8 Å²	52.8	28%	0.28	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65.1	-28	178.4	-59.3	-174.8	146.7	0	0	114.1	E402 G406 I407 H449 L454 R457	E402-E404 PolarHBondContact O-N 3.24Å; E404-G406 VanDerWaalsContact C-N 3.25Å; E404-G406 PolarHBondContact O-N 3.42Å; E404-I407 PolarHBondContact O-N 2.97Å; E404-H449 IonicContact OE1-CE1 3.48Å; E404-H449 IonicContact OE1-CG 3.72Å; E404-H449 IonicContact OE1-ND1 2.77Å; E404-H449 PolarHBondContact OE1-ND1 2.73Å; E404-L454 HydrophobicContact CB-CD2 4.09Å; E404-R457 IonicContact OE2-CZ 3.05Å; E404-R457 IonicContact OE2-NH1 3.43Å; E404-R457 IonicContact OE2-NH2 2.69Å; E404-R457 PolarHBondContact OE2-NH2 3.3Å
405	D	83.9	Confident	86.6	Confident	91 Å²	91	54 Å²	54	49%	0.487	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-71.2	-24.3	-179.1	-84.1	-3.9	0	0	0	111.3	D403 R457	D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 2.9Å; D403-D405 PolarHBondContact OD1-N 2.68Å; D403-D405 VanDerWaalsContact OD1-N 3.13Å; D405-R457 IonicContact OD1-CZ 3.35Å; D405-R457 IonicContact OD1-NE 3.24Å; D405-R457 IonicContact OD1-NH1 2.67Å; D405-R457 PolarHBondContact OD1-NH1 2.96Å
406	G	87.7	Confident	86.8	Confident	15 Å²	15	54.2 Å²	54.2	16%	0.155	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-81.9	-15.2	178.2	0	0	0	0	0	115.8	D403 E404 P409	D403-G406 PolarHBondContact O-N 3.34Å; E404-G406 VanDerWaalsContact C-N 3.25Å; E404-G406 PolarHBondContact O-N 3.42Å; G406-P409 WeakPolarHBondContact O-CD 3.2Å
407	I	90.6	Very high	86.9	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-50.1	-172.2	-63.9	175.7	0	0	0	112.1	K401 E404 E410 L411 H449 L454	K401-I407 HydrophobicContact CB-CG1 4.28Å; E404-I407 PolarHBondContact O-N 2.97Å; I407-E410 PolarHBondContact O-N 3.39Å; I407-L411 HydrophobicContact CG2-CD1 3.78Å; I407-L411 HydrophobicContact CG2-CG 4.28Å; I407-L411 WeakPolarHBondContact O-CG 3.38Å; I407-L411 PolarHBondContact O-N 3.25Å; I407-H449 HydrophobicContact CD1-CB 4.39Å; I407-L454 HydrophobicContact CB-CD1 4.33Å; I407-L454 HydrophobicContact CD1-CD1 4.07Å; I407-L454 HydrophobicContact CG2-CD1 4.21Å
408	I	92.1	Very high	87.1	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-46.8	-175.8	-57.7	-55.2	0	0	0	112.6	E410 L411 L412 L454 I455 F458 L485	I408-E410 VanDerWaalsContact C-N 3.28Å; I408-E410 PolarHBondContact O-N 3.47Å; I408-L411 PolarHBondContact O-N 3.45Å; I408-L412 HydrophobicContact CG2-CD1 4.16Å; I408-L412 HydrophobicContact CG2-CG 4.37Å; I408-L412 VanDerWaalsContact O-CG 3.32Å; I408-L412 WeakPolarHBondContact O-CG 3.41Å; I408-L412 PolarHBondContact O-N 3.43Å; I408-L454 HydrophobicContact CD1-CB 3.9Å; I408-L454 HydrophobicContact CG1-CB 3.94Å; I408-I455 HydrophobicContact CD1-CD1 4.42Å; I408-I455 HydrophobicContact CD1-CG1 3.62Å; I408-I455 HydrophobicContact CG1-CG1 4.26Å; I408-F458 HydrophobicContact CB-CB 4.29Å; I408-F458 HydrophobicContact CB-CD2 4.23Å; I408-F458 HydrophobicContact CB-CG 4.1Å; I408-F458 HydrophobicContact CG1-CB 4.29Å; I408-F458 HydrophobicContact CG2-CB 4.24Å; I408-F458 HydrophobicContact CG2-CD1 3.76Å; I408-F458 HydrophobicContact CG2-CD2 4.3Å; I408-F458 HydrophobicContact CG2-CE1 4.15Å; I408-F458 HydrophobicContact CG2-CG 3.83Å; I408-L485 HydrophobicContact CD1-CD2 4.23Å; I408-L485 HydrophobicContact CG2-CD2 4.26Å
409	P	92	Very high	87.5	Confident	56 Å²	56	56.2 Å²	56.2	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-52.9	-41.1	173.8	-29	35.4	0	0	0	114.6	G406 L412 N413 F458	G406-P409 WeakPolarHBondContact O-CD 3.2Å; P409-L412 PolarHBondContact O-N 2.97Å; P409-N413 PolarHBondContact O-N 3.05Å; P409-N413 VanDerWaalsContact O-N 3.07Å; P409-F458 HydrophobicContact CG-CD2 4.46Å; P409-F458 HydrophobicContact CG-CE2 3.76Å; P409-F458 HydrophobicContact CG-CZ 4.4Å
410	E	91.2	Very high	88.1	Confident	68 Å²	68	61.1 Å²	61.1	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-76	-37.1	-178.9	-75.7	177.6	-179	0	0	112.8	L397 K401 I407 I408 L412 N413 F414	L397-E410 HydrophobicContact CD1-CB 4.3Å; L397-E410 HydrophobicContact CD2-CB 4.47Å; K401-E410 WeakPolarHBondContact CE-OE2 3.43Å; K401-E410 IonicContact NZ-OE1 2.66Å; K401-E410 PolarHBondContact NZ-OE1 2.83Å; K401-E410 IonicContact NZ-OE2 3.55Å; K401-E410 PolarHBondContact NZ-OE2 2.93Å; I407-E410 PolarHBondContact O-N 3.39Å; I408-E410 VanDerWaalsContact C-N 3.28Å; I408-E410 PolarHBondContact O-N 3.47Å; E410-L412 VanDerWaalsContact C-N 3.28Å; E410-L412 PolarHBondContact O-N 3.08Å; E410-N413 PolarHBondContact O-N 3.26Å; E410-F414 VanDerWaalsContact O-CB 3.29Å; E410-F414 WeakPolarHBondContact O-CB 3.44Å; E410-F414 PolarHBondContact O-N 2.99Å
411	L	92	Very high	89.1	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-35.4	171.6	-72.5	177	0	0	0	112.2	L397 A398 I407 I408 K415 V443 I444 L485	L397-L411 HydrophobicContact CB-CD2 4.24Å; A398-L411 HydrophobicContact CB-CD1 4.33Å; A398-L411 HydrophobicContact CB-CD2 4.36Å; I407-L411 HydrophobicContact CG2-CD1 3.78Å; I407-L411 HydrophobicContact CG2-CG 4.28Å; I407-L411 WeakPolarHBondContact O-CG 3.38Å; I407-L411 PolarHBondContact O-N 3.25Å; I408-L411 PolarHBondContact O-N 3.45Å; L411-K415 WeakPolarHBondContact O-CB 3.5Å; L411-K415 PolarHBondContact O-N 2.98Å; L411-V443 HydrophobicContact CD2-CG1 4.31Å; L411-I444 HydrophobicContact CD1-CD1 4.1Å; L411-L485 HydrophobicContact CB-CD1 4.47Å; L411-L485 HydrophobicContact CB-CD2 4.17Å
412	L	93.2	Very high	90	Very high	13 Å²	13	53 Å²	53	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-46.2	173.6	-66.9	175	0	0	0	112	I408 P409 E410 F414 K415 D416 F458 L478 K481 V482 L485	I408-L412 HydrophobicContact CG2-CD1 4.16Å; I408-L412 HydrophobicContact CG2-CG 4.37Å; I408-L412 VanDerWaalsContact O-CG 3.32Å; I408-L412 WeakPolarHBondContact O-CG 3.41Å; I408-L412 PolarHBondContact O-N 3.43Å; P409-L412 PolarHBondContact O-N 2.97Å; E410-L412 VanDerWaalsContact C-N 3.28Å; E410-L412 PolarHBondContact O-N 3.08Å; L412-F414 VanDerWaalsContact C-N 3.32Å; L412-F414 PolarHBondContact O-N 3.28Å; L412-K415 WeakPolarHBondContact O-CB 3.14Å; L412-K415 PolarHBondContact O-N 3.06Å; L412-D416 PolarHBondContact O-N 2.89Å; L412-F458 HydrophobicContact CD1-CE1 4.33Å; L412-L478 HydrophobicContact CD1-CD1 4.04Å; L412-K481 HydrophobicContact CD2-CB 4.21Å; L412-K481 WeakPolarHBondContact CD2-O 3.29Å; L412-V482 HydrophobicContact CD1-CG2 3.84Å; L412-L485 HydrophobicContact CD2-CB 4.08Å; L412-L485 HydrophobicContact CD2-CD2 4.15Å
413	N	92.8	Very high	90.9	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-39.7	175.5	-174.5	10.6	0	0	0	111.7	P409 E410 D416 K417	P409-N413 PolarHBondContact O-N 3.05Å; P409-N413 VanDerWaalsContact O-N 3.07Å; E410-N413 PolarHBondContact O-N 3.26Å; N413-D416 PolarHBondContact O-N 2.73Å; N413-K417 WeakPolarHBondContact O-CB 3.45Å; N413-K417 WeakPolarHBondContact O-CG 3.45Å; N413-K417 PolarHBondContact O-N 2.73Å
414	F	92.2	Very high	91.4	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-38.9	174	-177.4	-123.3	0	0	0	112	Y389 L390 M393 L397 E410 L412 K417 C418 F440	Y389-F414 HydrophobicContact CE1-CE2 4.48Å; L390-F414 HydrophobicContact CD2-CE1 4.31Å; L390-F414 HydrophobicContact CD2-CE2 4.38Å; L390-F414 HydrophobicContact CD2-CZ 3.66Å; M393-F414 HydrophobicContact CB-CZ 4.25Å; M393-F414 HydrophobicContact CE-CD1 4.09Å; M393-F414 HydrophobicContact CE-CD2 3.39Å; M393-F414 HydrophobicContact CE-CE1 4.06Å; M393-F414 HydrophobicContact CE-CE2 3.38Å; M393-F414 HydrophobicContact CE-CG 3.77Å; M393-F414 HydrophobicContact CE-CZ 3.71Å; L397-F414 HydrophobicContact CD1-CB 3.77Å; L397-F414 HydrophobicContact CD1-CD1 4.44Å; L397-F414 HydrophobicContact CD1-CG 4.06Å; E410-F414 VanDerWaalsContact O-CB 3.29Å; E410-F414 WeakPolarHBondContact O-CB 3.44Å; E410-F414 PolarHBondContact O-N 2.99Å; L412-F414 VanDerWaalsContact C-N 3.32Å; L412-F414 PolarHBondContact O-N 3.28Å; F414-K417 WeakPolarHBondContact O-CB 3.47Å; F414-K417 PolarHBondContact O-N 2.99Å; F414-C418 WeakPolarHBondContact O-CB 3.44Å; F414-C418 PolarHBondContact O-N 3.13Å; F414-C418 PolarHBondContact O-SG 3.37Å; F414-F440 AromaticContact CD1-CE1 3.89Å; F414-F440 HydrophobicContact CD1-CE1 3.89Å; F414-F440 AromaticContact CD1-CZ 3.62Å; F414-F440 HydrophobicContact CD1-CZ 3.62Å; F414-F440 HydrophobicContact CE1-CE1 4.26Å; F414-F440 HydrophobicContact CE1-CE2 4.43Å; F414-F440 AromaticContact CE1-CZ 3.78Å; F414-F440 HydrophobicContact CE1-CZ 3.78Å; F414-F440 HydrophobicContact CG-CZ 4.47Å
415	K	92.7	Very high	91.9	Very high	26 Å²	26	42.5 Å²	42.5	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-47	174.1	-174.9	61.4	168.9	70.7	0	112.2	L411 L412 K417 C418 D419 F440	L411-K415 WeakPolarHBondContact O-CB 3.5Å; L411-K415 PolarHBondContact O-N 2.98Å; L412-K415 WeakPolarHBondContact O-CB 3.14Å; L412-K415 PolarHBondContact O-N 3.06Å; K415-K417 VanDerWaalsContact C-N 3.28Å; K415-K417 PolarHBondContact O-N 3.26Å; K415-C418 PolarHBondContact O-N 3.18Å; K415-C418 VanDerWaalsContact O-N 3.11Å; K415-D419 IonicContact NZ-OD1 2.92Å; K415-D419 PolarHBondContact NZ-OD1 3.38Å; K415-D419 IonicContact NZ-OD2 2.98Å; K415-D419 PolarHBondContact NZ-OD2 2.99Å; K415-D419 PolarHBondContact O-N 2.89Å; K415-F440 HydrophobicContact CB-CE1 4.03Å; K415-F440 HydrophobicContact CB-CZ 4.06Å; K415-F440 HydrophobicContact CD-CD1 4.16Å; K415-F440 HydrophobicContact CD-CD2 4.12Å; K415-F440 HydrophobicContact CD-CE1 3.81Å; K415-F440 HydrophobicContact CD-CE2 3.78Å; K415-F440 HydrophobicContact CD-CG 4.32Å; K415-F440 HydrophobicContact CD-CZ 3.62Å; K415-F440 HydrophobicContact CG-CE1 4.49Å; K415-F440 HydrophobicContact CG-CZ 4.47Å
416	D	93	Very high	92.4	Very high	65 Å²	65	38.2 Å²	38.2	35%	0.348	20%	0.196	S	C	.	.	H	α-helix	trans	-55.9	-43.4	174.7	-76	-27.8	0	0	0	111.4	L412 N413 R420 K481	L412-D416 PolarHBondContact O-N 2.89Å; N413-D416 PolarHBondContact O-N 2.73Å; D416-R420 PolarHBondContact O-N 3.25Å; D416-R420 VanDerWaalsContact O-N 3.14Å; D416-K481 WeakPolarHBondContact OD1-CE 3.47Å; D416-K481 IonicContact OD1-NZ 2.68Å; D416-K481 PolarHBondContact OD1-NZ 3.49Å; D416-K481 IonicContact OD2-NZ 3.98Å; D416-K481 PolarHBondContact OD2-NZ 2.94Å
417	K	91.6	Very high	92.6	Very high	94 Å²	94	42.7 Å²	42.7	41%	0.409	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-49.1	173.5	-83.5	-175.3	-179.8	-169.6	0	112.1	F360 N413 F414 K415 D419 R420 I421	F360-K417 HydrophobicContact CD2-CD 4.42Å; F360-K417 HydrophobicContact CD2-CG 4.37Å; F360-K417 HydrophobicContact CE2-CB 3.53Å; F360-K417 HydrophobicContact CE2-CD 4.15Å; F360-K417 HydrophobicContact CE2-CG 3.68Å; F360-K417 WeakPolarHBondContact CE2-O 3.17Å; F360-K417 HydrophobicContact CZ-CB 3.89Å; F360-K417 HydrophobicContact CZ-CG 3.95Å; F360-K417 VanDerWaalsContact CZ-O 3.23Å; F360-K417 WeakPolarHBondContact CZ-O 3.34Å; N413-K417 WeakPolarHBondContact O-CB 3.45Å; N413-K417 WeakPolarHBondContact O-CG 3.45Å; N413-K417 PolarHBondContact O-N 2.73Å; F414-K417 WeakPolarHBondContact O-CB 3.47Å; F414-K417 PolarHBondContact O-N 2.99Å; K415-K417 VanDerWaalsContact C-N 3.28Å; K415-K417 PolarHBondContact O-N 3.26Å; K417-D419 PolarHBondContact O-N 2.91Å; K417-R420 PolarHBondContact O-N 2.85Å; K417-I421 PolarHBondContact O-N 2.87Å; K417-I421 VanDerWaalsContact O-N 3.13Å
418	C	91.9	Very high	92.6	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-42.1	-179.6	-68.5	0	0	0	0	112.5	L390 F414 K415 R420 I421 M422 F436 F440	L390-C418 HydrophobicContact CD2-CB 4.47Å; L390-C418 WeakPolarHBondContact CD2-SG 3.44Å; F414-C418 WeakPolarHBondContact O-CB 3.44Å; F414-C418 PolarHBondContact O-N 3.13Å; F414-C418 PolarHBondContact O-SG 3.37Å; K415-C418 PolarHBondContact O-N 3.18Å; K415-C418 VanDerWaalsContact O-N 3.11Å; C418-R420 VanDerWaalsContact C-N 3.33Å; C418-R420 PolarHBondContact O-N 3.38Å; C418-I421 PolarHBondContact O-N 3.31Å; C418-M422 PolarHBondContact O-N 2.89Å; C418-F436 HydrophobicContact CB-CD1 3.92Å; C418-F436 HydrophobicContact CB-CE1 3.78Å; C418-F436 WeakPolarHBondContact O-CE1 3.29Å; C418-F440 HydrophobicContact CB-CE2 3.83Å; C418-F440 HydrophobicContact CB-CZ 4.13Å
419	D	91.5	Very high	92.7	Very high	72 Å²	72	49.1 Å²	49.1	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-35.9	178.7	-68.7	-21.4	0	0	0	112	K415 K417 M422 G423	K415-D419 IonicContact NZ-OD1 2.92Å; K415-D419 PolarHBondContact NZ-OD1 3.38Å; K415-D419 IonicContact NZ-OD2 2.98Å; K415-D419 PolarHBondContact NZ-OD2 2.99Å; K415-D419 PolarHBondContact O-N 2.89Å; K417-D419 PolarHBondContact O-N 2.91Å; D419-M422 WeakPolarHBondContact O-CB 3.48Å; D419-M422 PolarHBondContact O-N 3.38Å; D419-G423 PolarHBondContact O-N 3.01Å
420	R	93.6	Very high	92.7	Very high	136 Å²	136	52.6 Å²	52.6	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-40.4	174.6	-179.1	168.1	170.8	-170.3	-1.9	112.6	F360 D416 K417 C418 M422 Q424	F360-R420 HydrophobicContact CE1-CB 4.49Å; F360-R420 HydrophobicContact CE1-CG 4.21Å; F360-R420 HydrophobicContact CZ-CB 4.19Å; F360-R420 HydrophobicContact CZ-CG 4.4Å; D416-R420 PolarHBondContact O-N 3.25Å; D416-R420 VanDerWaalsContact O-N 3.14Å; K417-R420 PolarHBondContact O-N 2.85Å; C418-R420 VanDerWaalsContact C-N 3.33Å; C418-R420 PolarHBondContact O-N 3.38Å; R420-M422 VanDerWaalsContact C-N 3.34Å; R420-Q424 HydrophobicContact CG-CG 4.26Å; R420-Q424 VanDerWaalsContact O-CB 3.31Å; R420-Q424 WeakPolarHBondContact O-CB 3.45Å; R420-Q424 WeakPolarHBondContact O-CG 3.48Å; R420-Q424 PolarHBondContact O-N 3.12Å
421	I	93.3	Very high	92.7	Very high	9 Å²	9	53 Å²	53	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-43.9	172.3	-67.6	166.6	0	0	0	110.3	L357 F360 I362 L365 K417 C418 G423 S425 F426	L357-I421 HydrophobicContact CD2-CD1 3.94Å; L357-I421 HydrophobicContact CD2-CG2 4.43Å; F360-I421 HydrophobicContact CD2-CD1 3.93Å; F360-I421 HydrophobicContact CD2-CG1 4.31Å; F360-I421 HydrophobicContact CE2-CD1 3.46Å; F360-I421 VanDerWaalsContact CE2-CD1 3.46Å; F360-I421 HydrophobicContact CE2-CG1 3.65Å; F360-I421 HydrophobicContact CZ-CD1 4.2Å; F360-I421 HydrophobicContact CZ-CG1 3.88Å; I362-I421 HydrophobicContact CD1-CG1 3.77Å; L365-I421 HydrophobicContact CD1-CD1 4.36Å; L365-I421 HydrophobicContact CD1-CG1 4.28Å; L365-I421 HydrophobicContact CD1-CG2 4.09Å; K417-I421 PolarHBondContact O-N 2.87Å; K417-I421 VanDerWaalsContact O-N 3.13Å; C418-I421 PolarHBondContact O-N 3.31Å; I421-G423 PolarHBondContact O-N 3.35Å; I421-S425 WeakPolarHBondContact O-CA 3.37Å; I421-S425 VanDerWaalsContact O-CB 3.29Å; I421-S425 WeakPolarHBondContact O-CB 3.2Å; I421-S425 PolarHBondContact O-N 3.49Å; I421-F426 HydrophobicContact CG2-CD2 4.03Å; I421-F426 HydrophobicContact CG2-CE2 3.57Å; I421-F426 HydrophobicContact CG2-CZ 3.97Å; I421-F426 PolarHBondContact O-N 3.45Å
422	M	92.6	Very high	92.8	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-49.2	178.7	-172.2	59	53.7	0	0	112.7	C418 D419 R420 F426 E427 N428 F432 L433 F436	C418-M422 PolarHBondContact O-N 2.89Å; D419-M422 WeakPolarHBondContact O-CB 3.48Å; D419-M422 PolarHBondContact O-N 3.38Å; R420-M422 VanDerWaalsContact C-N 3.34Å; M422-F426 HydrophobicContact CE-CD2 4.33Å; M422-F426 CarbonylContact O-C 3.53Å; M422-F426 PolarHBondContact O-N 3.09Å; M422-F426 HydrophobicContact SD-CB 4.25Å; M422-F426 HydrophobicContact SD-CD2 4.49Å; M422-E427 PolarHBondContact O-N 3.08Å; M422-N428 PolarHBondContact O-N 3.35Å; M422-N428 VanDerWaalsContact O-N 3.09Å; M422-F432 HydrophobicContact CE-CB 3.76Å; M422-F432 HydrophobicContact SD-CB 3.64Å; M422-L433 HydrophobicContact CG-CD2 3.56Å; M422-L433 HydrophobicContact CG-CG 4.09Å; M422-L433 HydrophobicContact SD-CD2 4.03Å; M422-L433 HydrophobicContact SD-CG 3.93Å; M422-F436 HydrophobicContact CE-CB 4.04Å; M422-F436 HydrophobicContact CE-CD1 3.46Å; M422-F436 VanDerWaalsContact CE-CD1 3.46Å; M422-F436 HydrophobicContact CE-CD2 3.22Å; M422-F436 HydrophobicContact CE-CE1 3.55Å; M422-F436 HydrophobicContact CE-CE2 3.29Å; M422-F436 HydrophobicContact CE-CG 3.29Å; M422-F436 HydrophobicContact CE-CZ 3.48Å; M422-F436 VanDerWaalsContact CE-CZ 3.48Å
423	G	93	Very high	92.7	Very high	31 Å²	31	55.1 Å²	55.1	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-74.1	-40.2	-178.1	0	0	0	0	0	114	D419 I421 N428	D419-G423 PolarHBondContact O-N 3.01Å; I421-G423 PolarHBondContact O-N 3.35Å; G423-N428 WeakPolarHBondContact CA-OD1 3.43Å
424	Q	94.1	Very high	92.5	Very high	98 Å²	98	54.7 Å²	54.7	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-91.8	-34.5	-172.6	-61.6	-174.3	-20.2	0	0	113.5	I362 R420	I362-Q424 HydrophobicContact CG2-CB 3.56Å; R420-Q424 HydrophobicContact CG-CG 4.26Å; R420-Q424 VanDerWaalsContact O-CB 3.31Å; R420-Q424 WeakPolarHBondContact O-CB 3.45Å; R420-Q424 WeakPolarHBondContact O-CG 3.48Å; R420-Q424 PolarHBondContact O-N 3.12Å
425	S	94.4	Very high	92.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-40.7	-178	-56.5	0	0	0	0	113.2	I362 L365 H366 I421	I362-S425 PolarHBondContact O-OG 3.39Å; L365-S425 WeakPolarHBondContact CB-OG 3.28Å; H366-S425 PolarHBondContact ND1-O 2.87Å; I421-S425 WeakPolarHBondContact O-CA 3.37Å; I421-S425 VanDerWaalsContact O-CB 3.29Å; I421-S425 WeakPolarHBondContact O-CB 3.2Å; I421-S425 PolarHBondContact O-N 3.49Å
426	F	94.4	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-106.5	14.1	-171.4	-53.8	-33	0	0	0	114.5	L365 Y369 L382 V386 I421 M422 N428 N429 F432 F436	L365-F426 HydrophobicContact CB-CE1 4.45Å; Y369-F426 HydrophobicContact CD2-CD1 4.03Å; Y369-F426 HydrophobicContact CG-CD1 4.03Å; L382-F426 HydrophobicContact CD2-CE1 4.29Å; V386-F426 HydrophobicContact CG1-CE2 4.35Å; V386-F426 HydrophobicContact CG2-CE2 4.26Å; V386-F426 HydrophobicContact CG2-CZ 4.07Å; I421-F426 HydrophobicContact CG2-CD2 4.03Å; I421-F426 HydrophobicContact CG2-CE2 3.57Å; I421-F426 HydrophobicContact CG2-CZ 3.97Å; I421-F426 PolarHBondContact O-N 3.45Å; M422-F426 HydrophobicContact CE-CD2 4.33Å; M422-F426 CarbonylContact O-C 3.53Å; M422-F426 PolarHBondContact O-N 3.09Å; M422-F426 HydrophobicContact SD-CB 4.25Å; M422-F426 HydrophobicContact SD-CD2 4.49Å; F426-N428 PolarHBondContact O-N 2.91Å; F426-N429 VanDerWaalsContact O-CB 3.27Å; F426-N429 WeakPolarHBondContact O-CB 3.39Å; F426-N429 PolarHBondContact O-N 3.46Å; F426-F432 HydrophobicContact CB-CB 4.49Å; F426-F432 HydrophobicContact CB-CD1 4.43Å; F426-F432 HydrophobicContact CB-CG 4.33Å; F426-F432 HydrophobicContact CD1-CE1 4.46Å; F426-F432 HydrophobicContact CD2-CB 4.5Å; F426-F432 AromaticContact CD2-CD1 3.64Å; F426-F432 HydrophobicContact CD2-CD1 3.64Å; F426-F432 HydrophobicContact CD2-CE1 4.19Å; F426-F432 HydrophobicContact CD2-CG 4.27Å; F426-F432 AromaticContact CE2-CD1 3.98Å; F426-F432 HydrophobicContact CE2-CD1 3.98Å; F426-F432 HydrophobicContact CE2-CE1 4.24Å; F426-F432 AromaticContact CG-CD1 3.99Å; F426-F432 HydrophobicContact CG-CD1 3.99Å; F426-F432 HydrophobicContact CG-CE1 4.31Å; F426-F432 HydrophobicContact CG-CG 4.38Å; F426-F432 HydrophobicContact CZ-CE1 4.41Å; F426-F436 HydrophobicContact CD2-CE2 4.42Å; F426-F436 HydrophobicContact CD2-CZ 4.3Å; F426-F436 HydrophobicContact CE2-CE2 4.25Å; F426-F436 HydrophobicContact CE2-CZ 4.04Å
427	E	92.9	Very high	92	Very high	110 Å²	110	58.3 Å²	58.3	51%	0.514	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	27.2	172.9	-59.3	176.6	-168.1	0	0	114.3	H366 Y369 M422 N429	H366-E427 IonicContact CE1-OE1 2.65Å; H366-E427 PolarHBondContact CE1-OE1 3.27Å; H366-E427 VanDerWaalsContact CE1-OE1 3.25Å; Y369-E427 HydrophobicContact CE1-CB 4.34Å; Y369-E427 HydrophobicContact CE1-CG 4.08Å; M422-E427 PolarHBondContact O-N 3.08Å; E427-N429 VanDerWaalsContact C-N 3.26Å; E427-N429 PolarHBondContact O-N 3.35Å
428	N	90.9	Very high	91.8	Very high	93 Å²	93	62.7 Å²	62.7	50%	0.497	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.4	-171.2	-59.5	-60.5	0	0	0	114.3	M422 G423 F426 E430 L433	M422-N428 PolarHBondContact O-N 3.35Å; M422-N428 VanDerWaalsContact O-N 3.09Å; G423-N428 WeakPolarHBondContact CA-OD1 3.43Å; F426-N428 PolarHBondContact O-N 2.91Å; N428-E430 PolarHBondContact O-N 3.33Å; N428-L433 HydrophobicContact CB-CD1 4.38Å; N428-L433 WeakPolarHBondContact O-CD1 3.24Å
429	N	92.9	Very high	91.6	Very high	45 Å²	45	62.6 Å²	62.6	24%	0.241	30%	0.295	C	S	.	.			trans	-60.6	126.9	178.5	-173.9	-57.3	0	0	0	111.9	Y369 F426 E427 L431 F432 L433	Y369-N429 HydrophobicContact CE2-CB 4.44Å; Y369-N429 PolarHBondContact OH-ND2 3.31Å; F426-N429 VanDerWaalsContact O-CB 3.27Å; F426-N429 WeakPolarHBondContact O-CB 3.39Å; F426-N429 PolarHBondContact O-N 3.46Å; E427-N429 VanDerWaalsContact C-N 3.26Å; E427-N429 PolarHBondContact O-N 3.35Å; N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.21Å; N429-L431 VanDerWaalsContact OD1-CB 3.28Å; N429-L431 WeakPolarHBondContact OD1-CB 3.26Å; N429-L431 PolarHBondContact OD1-N 3.39Å; N429-F432 HydrophobicContact CB-CB 4.49Å; N429-F432 HydrophobicContact CB-CD2 3.93Å; N429-F432 WeakPolarHBondContact O-CB 3.16Å; N429-F432 PolarHBondContact O-N 3Å; N429-L433 PolarHBondContact O-N 3.48Å
430	E	92.1	Very high	91.5	Very high	130 Å²	130	59.3 Å²	59.3	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-54.8	-35.6	-177.9	-76	-63.8	148.3	0	0	114.1	N428 F432 L433 N434	N428-E430 PolarHBondContact O-N 3.33Å; E430-F432 VanDerWaalsContact C-N 3.31Å; E430-F432 PolarHBondContact O-N 3.32Å; E430-L433 PolarHBondContact O-N 2.92Å; E430-N434 WeakPolarHBondContact O-CB 3.28Å; E430-N434 PolarHBondContact O-N 3Å; E430-N434 PolarHBondContact O-ND2 2.96Å
431	L	91.7	Very high	91.3	Very high	76 Å²	76	56 Å²	56	40%	0.398	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.8	-177.2	67	0	0	0	110.6	H379 E380 C383 N429 S435	H379-L431 HydrophobicContact CB-CD2 4.44Å; E380-L431 HydrophobicContact CG-CD2 4.14Å; C383-L431 HydrophobicContact CB-CD2 4.21Å; C383-L431 HydrophobicContact CB-CG 4.3Å; N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.21Å; N429-L431 VanDerWaalsContact OD1-CB 3.28Å; N429-L431 WeakPolarHBondContact OD1-CB 3.26Å; N429-L431 PolarHBondContact OD1-N 3.39Å; L431-S435 WeakPolarHBondContact O-CB 3.45Å; L431-S435 PolarHBondContact O-N 3.1Å; L431-S435 VanDerWaalsContact O-N 3.08Å
432	F	92.9	Very high	91	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.4	-41.7	179.9	-74.7	-97.9	0	0	0	111.5	Y369 H379 L382 C383 M422 F426 N429 E430 N434 S435 F436	Y369-F432 HydrophobicContact CD2-CE2 4.15Å; Y369-F432 HydrophobicContact CD2-CZ 4.24Å; Y369-F432 HydrophobicContact CE2-CD2 4.39Å; Y369-F432 AromaticContact CE2-CE2 3.9Å; Y369-F432 HydrophobicContact CE2-CE2 3.9Å; Y369-F432 HydrophobicContact CE2-CZ 4.44Å; H379-F432 HydrophobicContact CB-CE2 4.25Å; H379-F432 WeakPolarHBondContact O-CZ 3.28Å; L382-F432 HydrophobicContact CB-CZ 4.19Å; L382-F432 HydrophobicContact CD2-CE1 4.1Å; L382-F432 HydrophobicContact CD2-CZ 3.84Å; L382-F432 HydrophobicContact CG-CE1 3.87Å; L382-F432 HydrophobicContact CG-CZ 3.86Å; C383-F432 HydrophobicContact CB-CD1 4.22Å; C383-F432 HydrophobicContact CB-CD2 4.49Å; C383-F432 HydrophobicContact CB-CE1 3.88Å; C383-F432 HydrophobicContact CB-CE2 4.17Å; C383-F432 HydrophobicContact CB-CZ 3.84Å; M422-F432 HydrophobicContact CE-CB 3.76Å; M422-F432 HydrophobicContact SD-CB 3.64Å; F426-F432 HydrophobicContact CB-CB 4.49Å; F426-F432 HydrophobicContact CB-CD1 4.43Å; F426-F432 HydrophobicContact CB-CG 4.33Å; F426-F432 HydrophobicContact CD1-CE1 4.46Å; F426-F432 HydrophobicContact CD2-CB 4.5Å; F426-F432 AromaticContact CD2-CD1 3.64Å; F426-F432 HydrophobicContact CD2-CD1 3.64Å; F426-F432 HydrophobicContact CD2-CE1 4.19Å; F426-F432 HydrophobicContact CD2-CG 4.27Å; F426-F432 AromaticContact CE2-CD1 3.98Å; F426-F432 HydrophobicContact CE2-CD1 3.98Å; F426-F432 HydrophobicContact CE2-CE1 4.24Å; F426-F432 AromaticContact CG-CD1 3.99Å; F426-F432 HydrophobicContact CG-CD1 3.99Å; F426-F432 HydrophobicContact CG-CE1 4.31Å; F426-F432 HydrophobicContact CG-CG 4.38Å; F426-F432 HydrophobicContact CZ-CE1 4.41Å; N429-F432 HydrophobicContact CB-CB 4.49Å; N429-F432 HydrophobicContact CB-CD2 3.93Å; N429-F432 WeakPolarHBondContact O-CB 3.16Å; N429-F432 PolarHBondContact O-N 3Å; E430-F432 VanDerWaalsContact C-N 3.31Å; E430-F432 PolarHBondContact O-N 3.32Å; F432-N434 PolarHBondContact O-N 2.63Å; F432-S435 PolarHBondContact O-N 3.03Å; F432-F436 WeakPolarHBondContact O-CB 3.42Å; F432-F436 WeakPolarHBondContact O-CD2 3.32Å; F432-F436 PolarHBondContact O-N 2.95Å
433	L	91.6	Very high	90.8	Very high	60 Å²	60	59.2 Å²	59.2	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-57.4	-46.7	174.2	-77.4	168.6	0	0	0	112.3	M422 N428 N429 E430 F436 R437	M422-L433 HydrophobicContact CG-CD2 3.56Å; M422-L433 HydrophobicContact CG-CG 4.09Å; M422-L433 HydrophobicContact SD-CD2 4.03Å; M422-L433 HydrophobicContact SD-CG 3.93Å; N428-L433 HydrophobicContact CB-CD1 4.38Å; N428-L433 WeakPolarHBondContact O-CD1 3.24Å; N429-L433 PolarHBondContact O-N 3.48Å; E430-L433 PolarHBondContact O-N 2.92Å; L433-F436 PolarHBondContact O-N 3.05Å; L433-R437 WeakPolarHBondContact O-CB 3.4Å; L433-R437 PolarHBondContact O-N 3.49Å
434	N	90.1	Very high	90.5	Very high	81 Å²	81	57.9 Å²	57.9	43%	0.433	27%	0.268	S	S	.	.	H	α-helix	trans	-66.8	-37	178.3	-76.1	-62.4	0	0	0	112	E430 F432 R438	E430-N434 WeakPolarHBondContact O-CB 3.28Å; E430-N434 PolarHBondContact O-N 3Å; E430-N434 PolarHBondContact O-ND2 2.96Å; F432-N434 PolarHBondContact O-N 2.63Å; N434-R438 WeakPolarHBondContact O-CG 3.45Å; N434-R438 PolarHBondContact O-N 3.22Å
435	S	87.9	Confident	89.9	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-41.5	174.6	-168	0	0	0	0	113.1	C383 C387 L431 F432 R437 R438 G439	C383-S435 WeakPolarHBondContact SG-CB 3.33Å; C387-S435 VanDerWaalsContact CB-OG 3.22Å; C387-S435 WeakPolarHBondContact CB-OG 3.48Å; C387-S435 PolarHBondContact SG-OG 2.84Å; L431-S435 WeakPolarHBondContact O-CB 3.45Å; L431-S435 PolarHBondContact O-N 3.1Å; L431-S435 VanDerWaalsContact O-N 3.08Å; F432-S435 PolarHBondContact O-N 3.03Å; S435-R437 VanDerWaalsContact C-N 3.35Å; S435-R438 PolarHBondContact O-N 3.38Å; S435-G439 PolarHBondContact O-N 2.96Å
436	F	89.9	Confident	89.3	Confident	13 Å²	13	59.4 Å²	59.4	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-42.6	175.7	-86.3	-131.4	0	0	0	110.7	V386 L390 C418 M422 F426 F432 L433 R438 G439 F440	V386-F436 HydrophobicContact CB-CE2 4.42Å; V386-F436 HydrophobicContact CG1-CD2 4.42Å; V386-F436 HydrophobicContact CG1-CE2 3.37Å; V386-F436 HydrophobicContact CG1-CZ 3.6Å; L390-F436 HydrophobicContact CD1-CB 4.23Å; L390-F436 HydrophobicContact CD1-CD1 3.64Å; L390-F436 HydrophobicContact CD1-CD2 3.45Å; L390-F436 VanDerWaalsContact CD1-CD2 3.45Å; L390-F436 HydrophobicContact CD1-CE1 3.78Å; L390-F436 HydrophobicContact CD1-CE2 3.63Å; L390-F436 HydrophobicContact CD1-CG 3.47Å; L390-F436 VanDerWaalsContact CD1-CG 3.47Å; L390-F436 HydrophobicContact CD1-CZ 3.78Å; L390-F436 HydrophobicContact CD2-CE1 4.29Å; C418-F436 HydrophobicContact CB-CD1 3.92Å; C418-F436 HydrophobicContact CB-CE1 3.78Å; C418-F436 WeakPolarHBondContact O-CE1 3.29Å; M422-F436 HydrophobicContact CE-CB 4.04Å; M422-F436 HydrophobicContact CE-CD1 3.46Å; M422-F436 VanDerWaalsContact CE-CD1 3.46Å; M422-F436 HydrophobicContact CE-CD2 3.22Å; M422-F436 HydrophobicContact CE-CE1 3.55Å; M422-F436 HydrophobicContact CE-CE2 3.29Å; M422-F436 HydrophobicContact CE-CG 3.29Å; M422-F436 HydrophobicContact CE-CZ 3.48Å; M422-F436 VanDerWaalsContact CE-CZ 3.48Å; F426-F436 HydrophobicContact CD2-CE2 4.42Å; F426-F436 HydrophobicContact CD2-CZ 4.3Å; F426-F436 HydrophobicContact CE2-CE2 4.25Å; F426-F436 HydrophobicContact CE2-CZ 4.04Å; F432-F436 WeakPolarHBondContact O-CB 3.42Å; F432-F436 WeakPolarHBondContact O-CD2 3.32Å; F432-F436 PolarHBondContact O-N 2.95Å; L433-F436 PolarHBondContact O-N 3.05Å; F436-R438 VanDerWaalsContact C-N 3.34Å; F436-R438 PolarHBondContact O-N 2.96Å; F436-G439 PolarHBondContact O-N 2.85Å; F436-F440 WeakPolarHBondContact O-CD2 3.23Å; F436-F440 PolarHBondContact O-N 3.45Å
437	R	89.1	Confident	88.6	Confident	155 Å²	155	60 Å²	60	59%	0.585	29%	0.286	S	S	*	.	H	α-helix	trans	-54.6	-48.6	172.5	169.2	179.6	-70.9	-110.8	6.3	111.3	L433 S435 E441 F488	L433-R437 WeakPolarHBondContact O-CB 3.4Å; L433-R437 PolarHBondContact O-N 3.49Å; S435-R437 VanDerWaalsContact C-N 3.35Å; R437-E441 WeakPolarHBondContact O-CB 3.24Å; R437-E441 PolarHBondContact O-N 3.17Å; R437-F488 HydrophobicContact CB-CE1 4.38Å; R437-F488 HydrophobicContact CG-CE1 4.09Å
438	R	86.6	Confident	87.6	Confident	187 Å²	187	58.6 Å²	58.6	71%	0.706	29%	0.286	S	S	*	.	H	α-helix	trans	-63.8	-43.7	177.6	-74.7	176.8	61.3	171.4	-2.4	112.9	N434 S435 F436 E441 E442	N434-R438 WeakPolarHBondContact O-CG 3.45Å; N434-R438 PolarHBondContact O-N 3.22Å; S435-R438 PolarHBondContact O-N 3.38Å; F436-R438 VanDerWaalsContact C-N 3.34Å; F436-R438 PolarHBondContact O-N 2.96Å; R438-E441 PolarHBondContact O-N 3.46Å; R438-E442 WeakPolarHBondContact O-CB 3.2Å; R438-E442 PolarHBondContact O-N 3.04Å
439	G	88.3	Confident	86.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-44.6	178.1	0	0	0	0	0	112.6	S435 F436 E442 V443	S435-G439 PolarHBondContact O-N 2.96Å; F436-G439 PolarHBondContact O-N 2.85Å; G439-E442 PolarHBondContact O-N 2.81Å; G439-V443 VanDerWaalsContact O-CG2 3.28Å; G439-V443 WeakPolarHBondContact O-CG2 3.06Å; G439-V443 PolarHBondContact O-N 2.99Å
440	F	90	Very high	85.9	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-39.9	174.4	-90.2	-84.3	0	0	0	112.7	F414 K415 C418 F436 V443 I444 F488	F414-F440 AromaticContact CD1-CE1 3.89Å; F414-F440 HydrophobicContact CD1-CE1 3.89Å; F414-F440 AromaticContact CD1-CZ 3.62Å; F414-F440 HydrophobicContact CD1-CZ 3.62Å; F414-F440 HydrophobicContact CE1-CE1 4.26Å; F414-F440 HydrophobicContact CE1-CE2 4.43Å; F414-F440 AromaticContact CE1-CZ 3.78Å; F414-F440 HydrophobicContact CE1-CZ 3.78Å; F414-F440 HydrophobicContact CG-CZ 4.47Å; K415-F440 HydrophobicContact CB-CE1 4.03Å; K415-F440 HydrophobicContact CB-CZ 4.06Å; K415-F440 HydrophobicContact CD-CD1 4.16Å; K415-F440 HydrophobicContact CD-CD2 4.12Å; K415-F440 HydrophobicContact CD-CE1 3.81Å; K415-F440 HydrophobicContact CD-CE2 3.78Å; K415-F440 HydrophobicContact CD-CG 4.32Å; K415-F440 HydrophobicContact CD-CZ 3.62Å; K415-F440 HydrophobicContact CG-CE1 4.49Å; K415-F440 HydrophobicContact CG-CZ 4.47Å; C418-F440 HydrophobicContact CB-CE2 3.83Å; C418-F440 HydrophobicContact CB-CZ 4.13Å; F436-F440 WeakPolarHBondContact O-CD2 3.23Å; F436-F440 PolarHBondContact O-N 3.45Å; F440-V443 PolarHBondContact O-N 2.95Å; F440-I444 VanDerWaalsContact O-CG1 3.29Å; F440-I444 WeakPolarHBondContact O-CG1 3.22Å; F440-I444 PolarHBondContact O-N 3.44Å; F440-F488 HydrophobicContact CB-CD1 4.22Å; F440-F488 HydrophobicContact CB-CD2 4.44Å; F440-F488 HydrophobicContact CB-CE1 4.14Å; F440-F488 HydrophobicContact CB-CE2 4.38Å; F440-F488 HydrophobicContact CB-CG 4.38Å; F440-F488 HydrophobicContact CB-CZ 4.23Å
441	E	87.8	Confident	85.6	Confident	66 Å²	66	52.9 Å²	52.9	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-43.7	173.6	-175.2	170.8	-172.9	0	0	111.4	R437 R438 V443 I444 I445 F488 Q775	R437-E441 WeakPolarHBondContact O-CB 3.24Å; R437-E441 PolarHBondContact O-N 3.17Å; R438-E441 PolarHBondContact O-N 3.46Å; E441-V443 PolarHBondContact O-N 2.99Å; E441-I444 PolarHBondContact O-N 3.44Å; E441-I445 HydrophobicContact CG-CD1 3.67Å; E441-I445 HydrophobicContact CG-CG1 4.39Å; E441-I445 WeakPolarHBondContact O-CB 3.43Å; E441-I445 VanDerWaalsContact O-CG1 3.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.27Å; E441-I445 PolarHBondContact O-N 3Å; E441-F488 HydrophobicContact CB-CD1 4.35Å; E441-Q775 PolarHBondContact OE1-NE2 2.77Å
442	E	87.2	Confident	85.5	Confident	81 Å²	81	49.5 Å²	49.5	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-41.6	176.6	-161.1	-158.5	150	0	0	112.6	T391 K395 R438 G439 S446	T391-E442 HydrophobicContact CG2-CG 4.43Å; T391-E442 VanDerWaalsContact CG2-OE1 3.29Å; T391-E442 WeakPolarHBondContact CG2-OE1 3.33Å; T391-E442 WeakPolarHBondContact CG2-OE2 3.46Å; T391-E442 PolarHBondContact OG1-OE2 2.68Å; K395-E442 IonicContact NZ-OE1 3.82Å; K395-E442 PolarHBondContact NZ-OE1 3.17Å; R438-E442 WeakPolarHBondContact O-CB 3.2Å; R438-E442 PolarHBondContact O-N 3.04Å; G439-E442 PolarHBondContact O-N 2.81Å; E442-S446 WeakPolarHBondContact O-CB 3.21Å; E442-S446 PolarHBondContact O-N 3.28Å; E442-S446 PolarHBondContact O-OG 3.1Å
443	V	88.5	Confident	85.4	Confident	1 Å²	1	50 Å²	50	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-46	175.4	167.9	0	0	0	0	111.1	G394 K395 A398 L411 G439 F440 E441 S446 C447	G394-V443 VanDerWaalsContact C-CG1 3.45Å; G394-V443 WeakPolarHBondContact O-CG1 3.34Å; K395-V443 HydrophobicContact CG-CG2 4.44Å; A398-V443 HydrophobicContact CB-CG1 4.11Å; L411-V443 HydrophobicContact CD2-CG1 4.31Å; G439-V443 VanDerWaalsContact O-CG2 3.28Å; G439-V443 WeakPolarHBondContact O-CG2 3.06Å; G439-V443 PolarHBondContact O-N 2.99Å; F440-V443 PolarHBondContact O-N 2.95Å; E441-V443 PolarHBondContact O-N 2.99Å; V443-S446 PolarHBondContact O-N 2.89Å; V443-C447 PolarHBondContact O-N 3.49Å
444	I	87	Confident	85.3	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-44	-179.7	-66.1	-66.6	0	0	0	110.9	L411 F440 E441 S446 C447 P451 L485 F488 V489	L411-I444 HydrophobicContact CD1-CD1 4.1Å; F440-I444 VanDerWaalsContact O-CG1 3.29Å; F440-I444 WeakPolarHBondContact O-CG1 3.22Å; F440-I444 PolarHBondContact O-N 3.44Å; E441-I444 PolarHBondContact O-N 3.44Å; I444-S446 VanDerWaalsContact C-N 3.27Å; I444-S446 PolarHBondContact O-N 2.86Å; I444-C447 WeakPolarHBondContact O-CB 3.44Å; I444-C447 PolarHBondContact O-N 2.86Å; I444-P451 HydrophobicContact CG2-CB 4.08Å; I444-P451 HydrophobicContact CG2-CG 3.8Å; I444-P451 WeakPolarHBondContact O-CG 3.21Å; I444-L485 HydrophobicContact CD1-CD1 4.02Å; I444-L485 HydrophobicContact CD1-CG 4.35Å; I444-F488 HydrophobicContact CB-CB 4.45Å; I444-F488 HydrophobicContact CG1-CB 4.19Å; I444-V489 HydrophobicContact CG2-CG2 4.1Å
445	I	81.7	Confident	85.5	Confident	82 Å²	82	43.6 Å²	43.6	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-36.8	174.9	-70.5	167.7	0	0	0	111.6	E441 C447 P490	E441-I445 HydrophobicContact CG-CD1 3.67Å; E441-I445 HydrophobicContact CG-CG1 4.39Å; E441-I445 WeakPolarHBondContact O-CB 3.43Å; E441-I445 VanDerWaalsContact O-CG1 3.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.27Å; E441-I445 PolarHBondContact O-N 3Å; I445-C447 VanDerWaalsContact C-N 3.33Å; I445-C447 PolarHBondContact O-N 2.69Å; I445-P490 HydrophobicContact CG1-CB 4.44Å; I445-P490 HydrophobicContact CG1-CG 3.94Å
446	S	82.7	Confident	85.7	Confident	49 Å²	49	42.9 Å²	42.9	34%	0.343	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.4	-177.4	-56.2	0	0	0	0	114.6	K395 E442 V443 I444 P448	K395-S446 WeakPolarHBondContact CE-OG 3.22Å; E442-S446 WeakPolarHBondContact O-CB 3.21Å; E442-S446 PolarHBondContact O-N 3.28Å; E442-S446 PolarHBondContact O-OG 3.1Å; V443-S446 PolarHBondContact O-N 2.89Å; I444-S446 VanDerWaalsContact C-N 3.27Å; I444-S446 PolarHBondContact O-N 2.86Å; S446-P448 WeakPolarHBondContact O-CD 3.44Å
447	C	79.7	Confident	85.8	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.074	21%	0.208	C	C	.	.			trans	-72	117.3	-176.1	179.4	0	0	0	0	111.1	A398 V443 I444 I445 H449 P451	A398-C447 HydrophobicContact CB-CB 4.25Å; A398-C447 PolarHBondContact O-SG 3.33Å; V443-C447 PolarHBondContact O-N 3.49Å; I444-C447 WeakPolarHBondContact O-CB 3.44Å; I444-C447 PolarHBondContact O-N 2.86Å; I445-C447 VanDerWaalsContact C-N 3.33Å; I445-C447 PolarHBondContact O-N 2.69Å; C447-H449 VanDerWaalsContact C-N 3.28Å; C447-H449 PolarHBondContact O-N 2.81Å; C447-P451 HydrophobicContact CB-CG 4.47Å
448	P	70.2	Confident	85.9	Confident	81 Å²	81	38.3 Å²	38.3	53%	0.526	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.5	-177.5	27.6	-33.2	0	0	0	112.5	C399 S446 K450	C399-P448 HydrophobicContact CB-CG 4.22Å; C399-P448 WeakPolarHBondContact SG-CD 3.18Å; S446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-K450 PolarHBondContact O-N 3.49Å
449	H	67	Low	86.2	Confident	47 Å²	47	29.5 Å²	29.5	22%	0.218	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	21.4	-177.2	-60.5	-82.3	0	0	0	114.3	E404 I407 C447 L454	E404-H449 IonicContact OE1-CE1 3.48Å; E404-H449 IonicContact OE1-CG 3.72Å; E404-H449 IonicContact OE1-ND1 2.77Å; E404-H449 PolarHBondContact OE1-ND1 2.73Å; I407-H449 HydrophobicContact CD1-CB 4.39Å; C447-H449 VanDerWaalsContact C-N 3.28Å; C447-H449 PolarHBondContact O-N 2.81Å; H449-L454 HydrophobicContact CB-CD1 3.87Å; H449-L454 HydrophobicContact CB-CD2 4.42Å; H449-L454 HydrophobicContact CB-CG 4.45Å; H449-L454 WeakPolarHBondContact O-CG 3.38Å
450	K	82.5	Confident	86.3	Confident	88 Å²	88	30 Å²	30	38%	0.383	15%	0.154	S	C	.	.			trans	53.3	74.8	170.5	-53.1	-177.9	-178.1	176	0	112.2	P448 A452 E453 E731 Y734	P448-K450 PolarHBondContact O-N 3.49Å; K450-A452 PolarHBondContact O-N 3.22Å; K450-E453 PolarHBondContact O-N 3.27Å; K450-E731 IonicContact NZ-OE2 2.7Å; K450-Y734 HydrophobicContact CD-CD1 4.19Å; K450-Y734 HydrophobicContact CD-CE1 3.38Å; K450-Y734 HydrophobicContact CD-CE2 3.83Å; K450-Y734 WeakPolarHBondContact CD-OH 3.24Å; K450-Y734 HydrophobicContact CG-CE1 4.5Å; K450-Y734 VanDerWaalsContact NZ-CD2 3.29Å
451	P	85.8	Confident	86.3	Confident	14 Å²	14	31.2 Å²	31.2	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-26.6	-162.8	24.7	-38	0	0	0	115.3	I444 C447 L454 I455	I444-P451 HydrophobicContact CG2-CB 4.08Å; I444-P451 HydrophobicContact CG2-CG 3.8Å; I444-P451 WeakPolarHBondContact O-CG 3.21Å; C447-P451 HydrophobicContact CB-CG 4.47Å; P451-L454 PolarHBondContact O-N 3.46Å; P451-I455 WeakPolarHBondContact O-CG1 3.44Å; P451-I455 PolarHBondContact O-N 3.13Å
452	A	89	Confident	86.3	Confident	5 Å²	5	31.6 Å²	31.6	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-38.4	174.6	0	0	0	0	0	113.3	K450 A456 V489 M494 F495	K450-A452 PolarHBondContact O-N 3.22Å; A452-A456 WeakPolarHBondContact O-CB 3.46Å; A452-A456 PolarHBondContact O-N 2.69Å; A452-V489 HydrophobicContact CB-CG1 3.79Å; A452-M494 HydrophobicContact CB-CB 3.75Å; A452-M494 HydrophobicContact CB-CG 3.94Å; A452-F495 HydrophobicContact CB-CB 4.12Å
453	E	90.4	Very high	86.4	Confident	11 Å²	11	27.8 Å²	27.8	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-46	173.4	-179.3	-175.1	153.5	0	0	110.2	K450 I455 A456 R457 F498 K730 Y734	K450-E453 PolarHBondContact O-N 3.27Å; E453-I455 VanDerWaalsContact C-N 3.32Å; E453-I455 PolarHBondContact O-N 3.19Å; E453-A456 PolarHBondContact O-N 3.11Å; E453-R457 WeakPolarHBondContact O-CB 3.39Å; E453-R457 PolarHBondContact O-N 2.94Å; E453-F498 HydrophobicContact CB-CD2 4.02Å; E453-F498 HydrophobicContact CB-CE2 4.13Å; E453-F498 HydrophobicContact CB-CG 4.3Å; E453-F498 HydrophobicContact CB-CZ 4.47Å; E453-F498 HydrophobicContact CG-CD1 3.96Å; E453-F498 HydrophobicContact CG-CD2 4.26Å; E453-F498 HydrophobicContact CG-CE1 4.01Å; E453-F498 HydrophobicContact CG-CE2 4.32Å; E453-F498 HydrophobicContact CG-CG 4.11Å; E453-F498 HydrophobicContact CG-CZ 4.21Å; E453-K730 VanDerWaalsContact OE1-CE 3.27Å; E453-K730 WeakPolarHBondContact OE1-CE 3.35Å; E453-K730 IonicContact OE1-NZ 3.27Å; E453-Y734 WeakPolarHBondContact CB-OH 3.39Å; E453-Y734 WeakPolarHBondContact OE2-CE2 3.42Å; E453-Y734 PolarHBondContact OE2-OH 3.41Å
454	L	90.3	Very high	86.3	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-44.5	-179.2	-58.3	-171.6	0	0	0	112	E404 I407 I408 H449 P451 R457 F458	E404-L454 HydrophobicContact CB-CD2 4.09Å; I407-L454 HydrophobicContact CB-CD1 4.33Å; I407-L454 HydrophobicContact CD1-CD1 4.07Å; I407-L454 HydrophobicContact CG2-CD1 4.21Å; I408-L454 HydrophobicContact CD1-CB 3.9Å; I408-L454 HydrophobicContact CG1-CB 3.94Å; H449-L454 HydrophobicContact CB-CD1 3.87Å; H449-L454 HydrophobicContact CB-CD2 4.42Å; H449-L454 HydrophobicContact CB-CG 4.45Å; H449-L454 WeakPolarHBondContact O-CG 3.38Å; P451-L454 PolarHBondContact O-N 3.46Å; L454-R457 PolarHBondContact O-N 2.96Å; L454-F458 VanDerWaalsContact O-CB 3.26Å; L454-F458 WeakPolarHBondContact O-CB 3.47Å; L454-F458 PolarHBondContact O-N 3.33Å
455	I	93.1	Very high	85.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-41.9	178.8	-67	166	0	0	0	110.8	I408 P451 E453 R457 F458 I459 V482 L485 V489 F495	I408-I455 HydrophobicContact CD1-CD1 4.42Å; I408-I455 HydrophobicContact CD1-CG1 3.62Å; I408-I455 HydrophobicContact CG1-CG1 4.26Å; P451-I455 WeakPolarHBondContact O-CG1 3.44Å; P451-I455 PolarHBondContact O-N 3.13Å; E453-I455 VanDerWaalsContact C-N 3.32Å; E453-I455 PolarHBondContact O-N 3.19Å; I455-R457 PolarHBondContact O-N 3.39Å; I455-F458 PolarHBondContact O-N 2.82Å; I455-I459 HydrophobicContact CG2-CD1 4.05Å; I455-I459 VanDerWaalsContact O-CG1 3.31Å; I455-I459 WeakPolarHBondContact O-CG1 3.31Å; I455-I459 PolarHBondContact O-N 3.06Å; I455-V482 HydrophobicContact CG2-CG1 3.66Å; I455-L485 HydrophobicContact CD1-CD2 4.24Å; I455-L485 HydrophobicContact CD1-CG 4.33Å; I455-V489 HydrophobicContact CD1-CG2 3.49Å; I455-V489 VanDerWaalsContact CD1-CG2 3.49Å; I455-F495 HydrophobicContact CB-CD2 4.46Å; I455-F495 HydrophobicContact CG2-CD2 4.21Å; I455-F495 HydrophobicContact CG2-CE2 3.91Å
456	A	93.1	Very high	84.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-43.2	175.3	0	0	0	0	0	112.4	A452 E453 D460 F495 F498 Y502	A452-A456 WeakPolarHBondContact O-CB 3.46Å; A452-A456 PolarHBondContact O-N 2.69Å; E453-A456 PolarHBondContact O-N 3.11Å; A456-D460 WeakPolarHBondContact O-CB 3.22Å; A456-D460 PolarHBondContact O-N 3.38Å; A456-F495 HydrophobicContact CB-CD2 3.71Å; A456-F495 HydrophobicContact CB-CE2 3.84Å; A456-F498 HydrophobicContact CB-CB 3.78Å; A456-Y502 HydrophobicContact CB-CD2 4.17Å; A456-Y502 HydrophobicContact CB-CE2 4.15Å
457	R	91.3	Very high	83.6	Confident	51 Å²	51	39.5 Å²	39.5	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-42	175.4	168.7	166.4	48.5	140.8	-23.1	112	E404 D405 E453 L454 I455 D460 S461 Y502	E404-R457 IonicContact OE2-CZ 3.05Å; E404-R457 IonicContact OE2-NH1 3.43Å; E404-R457 IonicContact OE2-NH2 2.69Å; E404-R457 PolarHBondContact OE2-NH2 3.3Å; D405-R457 IonicContact OD1-CZ 3.35Å; D405-R457 IonicContact OD1-NE 3.24Å; D405-R457 IonicContact OD1-NH1 2.67Å; D405-R457 PolarHBondContact OD1-NH1 2.96Å; E453-R457 WeakPolarHBondContact O-CB 3.39Å; E453-R457 PolarHBondContact O-N 2.94Å; L454-R457 PolarHBondContact O-N 2.96Å; I455-R457 PolarHBondContact O-N 3.39Å; R457-D460 PolarHBondContact O-N 2.95Å; R457-S461 WeakPolarHBondContact O-CB 3.4Å; R457-S461 PolarHBondContact O-N 3.45Å; R457-Y502 HydrophobicContact CB-CE2 4.15Å
458	F	92.6	Very high	82.6	Confident	21 Å²	21	45.7 Å²	45.7	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-49.8	177.7	-179.4	-105.3	0	0	0	110.9	I408 P409 L412 L454 I455 S461 K462 L478 V482	I408-F458 HydrophobicContact CB-CB 4.29Å; I408-F458 HydrophobicContact CB-CD2 4.23Å; I408-F458 HydrophobicContact CB-CG 4.1Å; I408-F458 HydrophobicContact CG1-CB 4.29Å; I408-F458 HydrophobicContact CG2-CB 4.24Å; I408-F458 HydrophobicContact CG2-CD1 3.76Å; I408-F458 HydrophobicContact CG2-CD2 4.3Å; I408-F458 HydrophobicContact CG2-CE1 4.15Å; I408-F458 HydrophobicContact CG2-CG 3.83Å; P409-F458 HydrophobicContact CG-CD2 4.46Å; P409-F458 HydrophobicContact CG-CE2 3.76Å; P409-F458 HydrophobicContact CG-CZ 4.4Å; L412-F458 HydrophobicContact CD1-CE1 4.33Å; L454-F458 VanDerWaalsContact O-CB 3.26Å; L454-F458 WeakPolarHBondContact O-CB 3.47Å; L454-F458 PolarHBondContact O-N 3.33Å; I455-F458 PolarHBondContact O-N 2.82Å; F458-S461 WeakPolarHBondContact O-CB 3.39Å; F458-S461 PolarHBondContact O-N 3.31Å; F458-S461 VanDerWaalsContact O-N 3.14Å; F458-S461 PolarHBondContact O-OG 3.48Å; F458-K462 HydrophobicContact CE1-CG 4.45Å; F458-K462 VanDerWaalsContact CZ-CE 3.42Å; F458-K462 HydrophobicContact CZ-CG 4.47Å; F458-K462 PolarHBondContact O-N 3.01Å; F458-L478 HydrophobicContact CE1-CD1 4.3Å; F458-L478 HydrophobicContact CE1-CD2 4.34Å; F458-L478 HydrophobicContact CE1-CG 4.5Å; F458-L478 HydrophobicContact CZ-CD1 4.48Å; F458-L478 HydrophobicContact CZ-CD2 4.37Å; F458-V482 HydrophobicContact CD1-CG2 3.9Å; F458-V482 HydrophobicContact CE1-CG2 3.66Å
459	I	92.5	Very high	82.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-47.1	176.1	-65.9	173.6	0	0	0	111.2	I455 S461 K462 L463 M479 V482 F495 Y499 L521	I455-I459 HydrophobicContact CG2-CD1 4.05Å; I455-I459 VanDerWaalsContact O-CG1 3.31Å; I455-I459 WeakPolarHBondContact O-CG1 3.31Å; I455-I459 PolarHBondContact O-N 3.06Å; I459-S461 PolarHBondContact O-N 3.45Å; I459-K462 PolarHBondContact O-N 3.47Å; I459-L463 HydrophobicContact CG2-CD1 3.67Å; I459-L463 HydrophobicContact CG2-CG 4.26Å; I459-L463 PolarHBondContact O-N 3.2Å; I459-M479 HydrophobicContact CG1-SD 4.26Å; I459-M479 HydrophobicContact CG2-SD 4.09Å; I459-V482 HydrophobicContact CD1-CG1 3.77Å; I459-V482 HydrophobicContact CG1-CG1 3.85Å; I459-F495 HydrophobicContact CD1-CE2 3.93Å; I459-F495 HydrophobicContact CD1-CZ 3.95Å; I459-Y499 HydrophobicContact CG2-CE2 3.77Å; I459-L521 HydrophobicContact CG2-CD2 3.4Å; I459-L521 VanDerWaalsContact CG2-CD2 3.4Å
460	D	90.7	Very high	82.8	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-35.5	175.4	174.5	60.7	0	0	0	112.5	A456 R457 K462 R464 Y502 R506	A456-D460 WeakPolarHBondContact O-CB 3.22Å; A456-D460 PolarHBondContact O-N 3.38Å; R457-D460 PolarHBondContact O-N 2.95Å; D460-K462 VanDerWaalsContact C-N 3.29Å; D460-K462 PolarHBondContact O-N 2.94Å; D460-R464 WeakPolarHBondContact O-CD 3.47Å; D460-R464 VanDerWaalsContact O-CG 3.24Å; D460-R464 WeakPolarHBondContact O-CG 3.49Å; D460-R464 PolarHBondContact O-N 2.89Å; D460-R464 IonicContact OD1-CZ 3.98Å; D460-R464 IonicContact OD1-NE 3.13Å; D460-R464 PolarHBondContact OD1-NE 2.86Å; D460-R464 IonicContact OD1-NH2 3.66Å; D460-R464 PolarHBondContact OD1-NH2 3.44Å; D460-R464 IonicContact OD2-CZ 2.76Å; D460-R464 IonicContact OD2-NE 2.69Å; D460-R464 PolarHBondContact OD2-NE 2.89Å; D460-R464 IonicContact OD2-NH2 2.85Å; D460-R464 PolarHBondContact OD2-NH2 3.26Å; D460-Y502 HydrophobicContact CB-CD2 4Å; D460-Y502 HydrophobicContact CB-CG 3.96Å; D460-R506 WeakPolarHBondContact OD1-CD 3.33Å; D460-R506 WeakPolarHBondContact OD1-CG 3.31Å; D460-R506 IonicContact OD1-CZ 3.25Å; D460-R506 IonicContact OD1-NE 3.86Å; D460-R506 IonicContact OD1-NH1 3.08Å; D460-R506 PolarHBondContact OD1-NH1 2.73Å
461	S	89	Confident	82.8	Confident	30 Å²	30	47.5 Å²	47.5	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-29.1	177	88.3	0	0	0	0	113.5	R457 F458 I459	R457-S461 WeakPolarHBondContact O-CB 3.4Å; R457-S461 PolarHBondContact O-N 3.45Å; F458-S461 WeakPolarHBondContact O-CB 3.39Å; F458-S461 PolarHBondContact O-N 3.31Å; F458-S461 VanDerWaalsContact O-N 3.14Å; F458-S461 PolarHBondContact O-OG 3.48Å; I459-S461 PolarHBondContact O-N 3.45Å
462	K	88.5	Confident	82.7	Confident	73 Å²	73	52.2 Å²	52.2	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-86.2	-33.4	178.9	-59	-57.3	-175.5	170	0	112.5	F458 I459 D460 R464 M470 L475 L478 M479	F458-K462 HydrophobicContact CE1-CG 4.45Å; F458-K462 VanDerWaalsContact CZ-CE 3.42Å; F458-K462 HydrophobicContact CZ-CG 4.47Å; F458-K462 PolarHBondContact O-N 3.01Å; I459-K462 PolarHBondContact O-N 3.47Å; D460-K462 VanDerWaalsContact C-N 3.29Å; D460-K462 PolarHBondContact O-N 2.94Å; K462-R464 VanDerWaalsContact C-N 3.31Å; K462-R464 PolarHBondContact O-N 3.24Å; K462-M470 HydrophobicContact CD-SD 3.91Å; K462-L475 HydrophobicContact CB-CD1 4.1Å; K462-L478 HydrophobicContact CD-CD2 4.28Å; K462-L478 HydrophobicContact CG-CD2 4.19Å; K462-M479 HydrophobicContact CB-CE 4.42Å
463	L	89.3	Confident	82.6	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-84.9	8.1	-179.9	-65.9	177.4	0	0	0	114.5	I459 L475 S512 A513 A517 L521	I459-L463 HydrophobicContact CG2-CD1 3.67Å; I459-L463 HydrophobicContact CG2-CG 4.26Å; I459-L463 PolarHBondContact O-N 3.2Å; L463-L475 HydrophobicContact CD2-CD2 4.15Å; L463-S512 CarbonylContact O-C 3.45Å; L463-S512 WeakPolarHBondContact O-CA 3.33Å; L463-A513 PolarHBondContact O-N 2.92Å; L463-A517 HydrophobicContact CD2-CB 4.23Å; L463-L521 HydrophobicContact CD1-CD2 3.71Å
464	R	85.3	Confident	82.5	Confident	72 Å²	72	62.3 Å²	62.3	27%	0.272	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-94.9	127.2	179.5	-83.5	171.6	-174.9	-136.1	11.8	113.7	D460 K462 G466 R506 K511	D460-R464 WeakPolarHBondContact O-CD 3.47Å; D460-R464 VanDerWaalsContact O-CG 3.24Å; D460-R464 WeakPolarHBondContact O-CG 3.49Å; D460-R464 PolarHBondContact O-N 2.89Å; D460-R464 IonicContact OD1-CZ 3.98Å; D460-R464 IonicContact OD1-NE 3.13Å; D460-R464 PolarHBondContact OD1-NE 2.86Å; D460-R464 IonicContact OD1-NH2 3.66Å; D460-R464 PolarHBondContact OD1-NH2 3.44Å; D460-R464 IonicContact OD2-CZ 2.76Å; D460-R464 IonicContact OD2-NE 2.69Å; D460-R464 PolarHBondContact OD2-NE 2.89Å; D460-R464 IonicContact OD2-NH2 2.85Å; D460-R464 PolarHBondContact OD2-NH2 3.26Å; K462-R464 VanDerWaalsContact C-N 3.31Å; K462-R464 PolarHBondContact O-N 3.24Å; R464-G466 PolarHBondContact O-N 3.48Å; R464-R506 HydrophobicContact CG-CG 4.18Å; R464-K511 CarbonylContact C-O 3.47Å; R464-K511 WeakPolarHBondContact CA-O 3.34Å
465	S	70.9	Confident	82.4	Confident	60 Å²	60	62.8 Å²	62.8	42%	0.42	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.1	171	66.3	0	0	0	0	111.7	K511	S465-K511 PolarHBondContact N-O 3.27Å; S465-K511 WeakPolarHBondContact OG-CA 3.31Å; S465-K511 PolarHBondContact OG-O 2.89Å
466	G	62.6	Low	82.2	Confident	78 Å²	78	65.6 Å²	65.6	80%	0.804	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	3.6	171.1	0	0	0	0	0	116.3	R464	R464-G466 PolarHBondContact O-N 3.48Å
467	R	61.5	Low	82.2	Confident	170 Å²	170	70.6 Å²	70.6	64%	0.642	38%	0.376	S	S	*	.	S	Bend	trans	-94.2	172.3	151.3	-76.4	-178.1	168.3	-178.5	-5.3	108.8	V469	R467-V469 PolarHBondContact O-N 2.98Å
468	V	59.5	Low	82.2	Confident	141 Å²	141	69.5 Å²	69.5	86%	0.855	38%	0.375	S	S	*	.			trans	-51.4	115.8	176.4	178.2	0	0	0	0	108.7	M470	V468-M470 PolarHBondContact O-N 2.91Å
469	V	63.6	Low	82.2	Confident	113 Å²	113	68.8 Å²	68.8	69%	0.685	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-74.2	116.5	-178.6	-178.9	0	0	0	0	107.2	R467	R467-V469 PolarHBondContact O-N 2.98Å
470	M	76.5	Confident	82.2	Confident	62 Å²	62	72.3 Å²	72.3	31%	0.305	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.4	146	174.7	-45.5	-173.7	72	0	0	108.5	K462 V468 L475 L478	K462-M470 HydrophobicContact CD-SD 3.91Å; V468-M470 PolarHBondContact O-N 2.91Å; M470-L475 HydrophobicContact CB-CB 4.33Å; M470-L475 HydrophobicContact SD-CD1 4.03Å; M470-L478 HydrophobicContact CE-CD2 3.98Å; M470-L478 HydrophobicContact SD-CD2 4.14Å
471	P	83.9	Confident	82.4	Confident	80 Å²	80	75.9 Å²	75.9	52%	0.519	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-50.6	141.7	163.3	-25.7	36.1	0	0	0	110.3	E473 D474 L475	P471-E473 PolarHBondContact O-N 3.44Å; P471-D474 HydrophobicContact CB-CB 4.28Å; P471-D474 WeakPolarHBondContact CD-OD2 3.22Å; P471-D474 VanDerWaalsContact CG-OD2 3.29Å; P471-D474 WeakPolarHBondContact CG-OD2 3.47Å; P471-D474 PolarHBondContact O-N 3.44Å; P471-L475 WeakPolarHBondContact O-CB 3.41Å; P471-L475 PolarHBondContact O-N 3.48Å
472	E	82.2	Confident	82.6	Confident	113 Å²	113	74.5 Å²	74.5	53%	0.528	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-29.9	-173.2	-163.1	156.7	-138.9	0	0	111.8	L475 D476 S514	E472-L475 PolarHBondContact O-N 3.39Å; E472-D476 WeakPolarHBondContact O-CB 3.18Å; E472-D476 PolarHBondContact O-N 3.34Å; E472-S514 PolarHBondContact OE1-OG 2.96Å
473	E	86.8	Confident	82.8	Confident	146 Å²	146	71.3 Å²	71.3	68%	0.682	38%	0.382	S	S	*	.	H	α-helix	trans	-67.3	-47.2	172.9	-170.6	172.5	-173.3	0	0	112.8	P471 L475 D476 Q477	P471-E473 PolarHBondContact O-N 3.44Å; E473-L475 VanDerWaalsContact C-N 3.27Å; E473-L475 PolarHBondContact O-N 3.06Å; E473-D476 PolarHBondContact O-N 3.5Å; E473-Q477 WeakPolarHBondContact O-CG 3.13Å; E473-Q477 PolarHBondContact O-N 3.04Å
474	D	89.4	Confident	82.9	Confident	82 Å²	82	73.3 Å²	73.3	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-37.5	174.6	-69.9	-20	0	0	0	111.6	P471 L478	P471-D474 HydrophobicContact CB-CB 4.28Å; P471-D474 WeakPolarHBondContact CD-OD2 3.22Å; P471-D474 VanDerWaalsContact CG-OD2 3.29Å; P471-D474 WeakPolarHBondContact CG-OD2 3.47Å; P471-D474 PolarHBondContact O-N 3.44Å; D474-L478 VanDerWaalsContact O-CB 3.3Å; D474-L478 WeakPolarHBondContact O-CB 3.45Å; D474-L478 PolarHBondContact O-N 3.18Å
475	L	88.7	Confident	83.1	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-43.4	176.1	-177	65.4	0	0	0	110.9	K462 L463 M470 P471 E472 E473 L478 M479 A517	K462-L475 HydrophobicContact CB-CD1 4.1Å; L463-L475 HydrophobicContact CD2-CD2 4.15Å; M470-L475 HydrophobicContact CB-CB 4.33Å; M470-L475 HydrophobicContact SD-CD1 4.03Å; P471-L475 WeakPolarHBondContact O-CB 3.41Å; P471-L475 PolarHBondContact O-N 3.48Å; E472-L475 PolarHBondContact O-N 3.39Å; E473-L475 VanDerWaalsContact C-N 3.27Å; E473-L475 PolarHBondContact O-N 3.06Å; L475-L478 PolarHBondContact O-N 2.9Å; L475-M479 HydrophobicContact CD1-CE 3.9Å; L475-M479 WeakPolarHBondContact O-CG 3.5Å; L475-M479 PolarHBondContact O-N 3.15Å; L475-A517 HydrophobicContact CD2-CB 3.89Å
476	D	89.3	Confident	84.1	Confident	60 Å²	60	67.1 Å²	67.1	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-41.9	-178.7	-162.7	58.6	0	0	0	112.3	E472 E473 L478 M479 D480 K524	E472-D476 WeakPolarHBondContact O-CB 3.18Å; E472-D476 PolarHBondContact O-N 3.34Å; E473-D476 PolarHBondContact O-N 3.5Å; D476-L478 VanDerWaalsContact C-N 3.35Å; D476-L478 PolarHBondContact O-N 3.15Å; D476-M479 WeakPolarHBondContact O-CB 3.29Å; D476-M479 PolarHBondContact O-N 3.25Å; D476-D480 PolarHBondContact O-N 2.96Å; D476-K524 PolarHBondContact O-NZ 3.34Å; D476-K524 WeakPolarHBondContact OD1-CE 3.22Å; D476-K524 IonicContact OD1-NZ 3.9Å; D476-K524 PolarHBondContact OD1-NZ 3Å; D476-K524 IonicContact OD2-NZ 2.98Å; D476-K524 PolarHBondContact OD2-NZ 3.41Å
477	Q	91.6	Very high	85.3	Confident	104 Å²	104	69.5 Å²	69.5	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-40.3	171.3	-68.4	-179	28.4	0	0	112	E473 M479 D480 K481	E473-Q477 WeakPolarHBondContact O-CG 3.13Å; E473-Q477 PolarHBondContact O-N 3.04Å; Q477-M479 VanDerWaalsContact C-N 3.33Å; Q477-D480 PolarHBondContact O-N 3.48Å; Q477-K481 PolarHBondContact O-N 2.73Å; Q477-K481 VanDerWaalsContact O-N 3.11Å
478	L	92	Very high	86.6	Confident	29 Å²	29	62.7 Å²	62.7	15%	0.152	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-39.2	174.3	178.6	62.1	0	0	0	111.3	L412 F458 K462 M470 D474 L475 D476 D480 K481 V482	L412-L478 HydrophobicContact CD1-CD1 4.04Å; F458-L478 HydrophobicContact CE1-CD1 4.3Å; F458-L478 HydrophobicContact CE1-CD2 4.34Å; F458-L478 HydrophobicContact CE1-CG 4.5Å; F458-L478 HydrophobicContact CZ-CD1 4.48Å; F458-L478 HydrophobicContact CZ-CD2 4.37Å; K462-L478 HydrophobicContact CD-CD2 4.28Å; K462-L478 HydrophobicContact CG-CD2 4.19Å; M470-L478 HydrophobicContact CE-CD2 3.98Å; M470-L478 HydrophobicContact SD-CD2 4.14Å; D474-L478 VanDerWaalsContact O-CB 3.3Å; D474-L478 WeakPolarHBondContact O-CB 3.45Å; D474-L478 PolarHBondContact O-N 3.18Å; L475-L478 PolarHBondContact O-N 2.9Å; D476-L478 VanDerWaalsContact C-N 3.35Å; D476-L478 PolarHBondContact O-N 3.15Å; L478-D480 VanDerWaalsContact C-N 3.34Å; L478-D480 PolarHBondContact O-N 3.03Å; L478-K481 PolarHBondContact O-N 2.91Å; L478-V482 HydrophobicContact CD1-CG2 4.25Å; L478-V482 HydrophobicContact CG-CG2 4.42Å; L478-V482 WeakPolarHBondContact O-CB 3.21Å; L478-V482 VanDerWaalsContact O-CG2 3.23Å; L478-V482 WeakPolarHBondContact O-CG2 3.45Å; L478-V482 PolarHBondContact O-N 3.39Å
479	M	92.2	Very high	87.9	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-40.3	174.8	-69.1	-52.7	105.7	0	0	111.5	I459 K462 L475 D476 Q477 V482 L483 L521	I459-M479 HydrophobicContact CG1-SD 4.26Å; I459-M479 HydrophobicContact CG2-SD 4.09Å; K462-M479 HydrophobicContact CB-CE 4.42Å; L475-M479 HydrophobicContact CD1-CE 3.9Å; L475-M479 WeakPolarHBondContact O-CG 3.5Å; L475-M479 PolarHBondContact O-N 3.15Å; D476-M479 WeakPolarHBondContact O-CB 3.29Å; D476-M479 PolarHBondContact O-N 3.25Å; Q477-M479 VanDerWaalsContact C-N 3.33Å; M479-V482 PolarHBondContact O-N 3.01Å; M479-L483 WeakPolarHBondContact O-CB 3.27Å; M479-L483 VanDerWaalsContact O-CG 3.25Å; M479-L483 WeakPolarHBondContact O-CG 3.34Å; M479-L483 PolarHBondContact O-N 3.21Å; M479-L521 HydrophobicContact CB-CD1 4.42Å; M479-L521 HydrophobicContact CG-CD1 4.31Å; M479-L521 HydrophobicContact SD-CD1 4.05Å; M479-L521 HydrophobicContact SD-CD2 4.17Å
480	D	92.9	Very high	88.5	Confident	74 Å²	74	52.5 Å²	52.5	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175.6	-72.2	-35.2	0	0	0	112.4	D476 Q477 L478 V482 L483 V484 K524	D476-D480 PolarHBondContact O-N 2.96Å; Q477-D480 PolarHBondContact O-N 3.48Å; L478-D480 VanDerWaalsContact C-N 3.34Å; L478-D480 PolarHBondContact O-N 3.03Å; D480-V482 VanDerWaalsContact C-N 3.34Å; D480-V482 PolarHBondContact O-N 2.88Å; D480-L483 PolarHBondContact O-N 2.81Å; D480-L483 VanDerWaalsContact O-N 3.17Å; D480-V484 WeakPolarHBondContact O-CG2 3.37Å; D480-V484 PolarHBondContact O-N 3.17Å; D480-K524 WeakPolarHBondContact OD1-CD 3.22Å; D480-K524 WeakPolarHBondContact OD1-CE 3.19Å; D480-K524 IonicContact OD1-NZ 3.13Å; D480-K524 PolarHBondContact OD1-NZ 2.87Å; D480-K524 IonicContact OD2-NZ 3.86Å; D480-K524 PolarHBondContact OD2-NZ 3.48Å
481	K	94.1	Very high	88.6	Confident	86 Å²	86	49.7 Å²	49.7	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-42.6	175.4	-68.9	-168.4	178.1	-158	0	112.2	L412 D416 Q477 L478 L483 V484 L485	L412-K481 HydrophobicContact CD2-CB 4.21Å; L412-K481 WeakPolarHBondContact CD2-O 3.29Å; D416-K481 WeakPolarHBondContact OD1-CE 3.47Å; D416-K481 IonicContact OD1-NZ 2.68Å; D416-K481 PolarHBondContact OD1-NZ 3.49Å; D416-K481 IonicContact OD2-NZ 3.98Å; D416-K481 PolarHBondContact OD2-NZ 2.94Å; Q477-K481 PolarHBondContact O-N 2.73Å; Q477-K481 VanDerWaalsContact O-N 3.11Å; L478-K481 PolarHBondContact O-N 2.91Å; K481-L483 VanDerWaalsContact C-N 3.32Å; K481-L483 PolarHBondContact O-N 3.01Å; K481-V484 PolarHBondContact O-N 3.39Å; K481-L485 PolarHBondContact O-N 3.26Å
482	V	94.2	Very high	88.7	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-37.9	175.4	174.1	0	0	0	0	111.4	L412 I455 F458 I459 L478 M479 D480 L485 F486	L412-V482 HydrophobicContact CD1-CG2 3.84Å; I455-V482 HydrophobicContact CG2-CG1 3.66Å; F458-V482 HydrophobicContact CD1-CG2 3.9Å; F458-V482 HydrophobicContact CE1-CG2 3.66Å; I459-V482 HydrophobicContact CD1-CG1 3.77Å; I459-V482 HydrophobicContact CG1-CG1 3.85Å; L478-V482 HydrophobicContact CD1-CG2 4.25Å; L478-V482 HydrophobicContact CG-CG2 4.42Å; L478-V482 WeakPolarHBondContact O-CB 3.21Å; L478-V482 VanDerWaalsContact O-CG2 3.23Å; L478-V482 WeakPolarHBondContact O-CG2 3.45Å; L478-V482 PolarHBondContact O-N 3.39Å; M479-V482 PolarHBondContact O-N 3.01Å; D480-V482 VanDerWaalsContact C-N 3.34Å; D480-V482 PolarHBondContact O-N 2.88Å; V482-L485 WeakPolarHBondContact O-CB 3.28Å; V482-L485 PolarHBondContact O-N 2.88Å; V482-F486 WeakPolarHBondContact O-CB 3.42Å; V482-F486 PolarHBondContact O-N 2.68Å
483	L	92.2	Very high	88.9	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-34.1	177.9	-73	170.9	0	0	0	112.6	M479 D480 K481 L485 F486 R487 L521 K524 L525	M479-L483 WeakPolarHBondContact O-CB 3.27Å; M479-L483 VanDerWaalsContact O-CG 3.25Å; M479-L483 WeakPolarHBondContact O-CG 3.34Å; M479-L483 PolarHBondContact O-N 3.21Å; D480-L483 PolarHBondContact O-N 2.81Å; D480-L483 VanDerWaalsContact O-N 3.17Å; K481-L483 VanDerWaalsContact C-N 3.32Å; K481-L483 PolarHBondContact O-N 3.01Å; L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.32Å; L483-F486 HydrophobicContact CD2-CB 4.49Å; L483-F486 HydrophobicContact CD2-CD1 3.95Å; L483-F486 HydrophobicContact CD2-CG 4.47Å; L483-F486 PolarHBondContact O-N 2.96Å; L483-R487 WeakPolarHBondContact O-CG 3.42Å; L483-R487 PolarHBondContact O-N 2.83Å; L483-L521 HydrophobicContact CD1-CD1 4.33Å; L483-K524 HydrophobicContact CD1-CB 3.4Å; L483-K524 HydrophobicContact CD1-CD 3.99Å; L483-K524 HydrophobicContact CD1-CG 4.29Å; L483-L525 HydrophobicContact CD2-CD2 3.71Å; L483-L525 HydrophobicContact CD2-CG 4.4Å
484	V	90.9	Very high	89	Confident	42 Å²	42	37.5 Å²	37.5	26%	0.255	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-42.3	168.5	171.5	0	0	0	0	110.9	D480 K481 F488	D480-V484 WeakPolarHBondContact O-CG2 3.37Å; D480-V484 PolarHBondContact O-N 3.17Å; K481-V484 PolarHBondContact O-N 3.39Å; V484-F488 HydrophobicContact CG1-CE2 4.35Å; V484-F488 VanDerWaalsContact O-CD2 3.26Å; V484-F488 WeakPolarHBondContact O-CD2 3.28Å; V484-F488 WeakPolarHBondContact O-CE2 3.28Å
485	L	90.7	Very high	89.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-41.3	175.1	-166.3	67.7	0	0	0	112	I408 L411 L412 I444 I455 K481 V482 L483 R487 F488	I408-L485 HydrophobicContact CD1-CD2 4.23Å; I408-L485 HydrophobicContact CG2-CD2 4.26Å; L411-L485 HydrophobicContact CB-CD1 4.47Å; L411-L485 HydrophobicContact CB-CD2 4.17Å; L412-L485 HydrophobicContact CD2-CB 4.08Å; L412-L485 HydrophobicContact CD2-CD2 4.15Å; I444-L485 HydrophobicContact CD1-CD1 4.02Å; I444-L485 HydrophobicContact CD1-CG 4.35Å; I455-L485 HydrophobicContact CD1-CD2 4.24Å; I455-L485 HydrophobicContact CD1-CG 4.33Å; K481-L485 PolarHBondContact O-N 3.26Å; V482-L485 WeakPolarHBondContact O-CB 3.28Å; V482-L485 PolarHBondContact O-N 2.88Å; L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.32Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 3.35Å; L485-F488 WeakPolarHBondContact O-CD2 3.3Å; L485-F488 PolarHBondContact O-N 2.77Å
486	F	91	Very high	89.3	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-29	178.3	170.8	-107	0	0	0	113.8	V482 L483 F488 V489 K492 F495 L525 C529 F533	V482-F486 WeakPolarHBondContact O-CB 3.42Å; V482-F486 PolarHBondContact O-N 2.68Å; L483-F486 HydrophobicContact CD2-CB 4.49Å; L483-F486 HydrophobicContact CD2-CD1 3.95Å; L483-F486 HydrophobicContact CD2-CG 4.47Å; L483-F486 PolarHBondContact O-N 2.96Å; F486-F488 PolarHBondContact O-N 2.81Å; F486-V489 HydrophobicContact CD2-CB 4.42Å; F486-V489 HydrophobicContact CD2-CG2 4.4Å; F486-V489 WeakPolarHBondContact O-CB 3.39Å; F486-V489 PolarHBondContact O-N 2.58Å; F486-K492 HydrophobicContact CE1-CD 4.08Å; F486-K492 HydrophobicContact CE1-CG 4.48Å; F486-K492 HydrophobicContact CE2-CB 4.27Å; F486-K492 HydrophobicContact CE2-CD 4.39Å; F486-K492 HydrophobicContact CE2-CG 3.9Å; F486-K492 HydrophobicContact CZ-CB 4Å; F486-K492 HydrophobicContact CZ-CD 3.78Å; F486-K492 HydrophobicContact CZ-CG 3.72Å; F486-K492 PolarHBondContact O-NZ 3.1Å; F486-F495 HydrophobicContact CD2-CD1 4.44Å; F486-F495 HydrophobicContact CD2-CD2 4.24Å; F486-F495 HydrophobicContact CD2-CG 4.15Å; F486-F495 HydrophobicContact CE2-CB 3.82Å; F486-F495 AromaticContact CE2-CD1 3.63Å; F486-F495 HydrophobicContact CE2-CD1 3.63Å; F486-F495 HydrophobicContact CE2-CD2 4.12Å; F486-F495 HydrophobicContact CE2-CE1 4.23Å; F486-F495 AromaticContact CE2-CG 3.57Å; F486-F495 HydrophobicContact CE2-CG 3.57Å; F486-F495 HydrophobicContact CZ-CD1 4.02Å; F486-F495 HydrophobicContact CZ-CE1 4.44Å; F486-F495 HydrophobicContact CZ-CG 4.41Å; F486-L525 HydrophobicContact CE1-CD2 4.08Å; F486-L525 HydrophobicContact CZ-CD2 4.4Å; F486-C529 VanDerWaalsContact CE1-SG 3.55Å; F486-F533 HydrophobicContact CZ-CZ 4.34Å
487	R	89.1	Confident	89.4	Confident	128 Å²	128	31.7 Å²	31.7	48%	0.483	15%	0.154	S	C	.	.	H	α-helix	trans	-54.3	-41.4	174	-74.9	172	-179.6	157.9	3.4	112.1	L483 L485 V489 K492 E528	L483-R487 WeakPolarHBondContact O-CG 3.42Å; L483-R487 PolarHBondContact O-N 2.83Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 3.35Å; R487-V489 VanDerWaalsContact C-N 3.27Å; R487-V489 PolarHBondContact O-N 3.16Å; R487-K492 PolarHBondContact O-NZ 3.07Å; R487-E528 WeakPolarHBondContact CG-OE2 3.34Å; R487-E528 IonicContact CZ-OE1 2.76Å; R487-E528 IonicContact CZ-OE2 3.91Å; R487-E528 IonicContact NE-OE1 2.66Å; R487-E528 IonicContact NE-OE2 2.93Å; R487-E528 PolarHBondContact NE-OE2 2.75Å; R487-E528 IonicContact NH2-OE1 3.58Å; R487-E528 PolarHBondContact NH2-OE1 2.89Å; R487-E528 IonicContact NH2-OE2 3.36Å
488	F	88	Confident	89.4	Confident	27 Å²	27	26.8 Å²	26.8	12%	0.118	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.4	179.1	-52.2	-75	0	0	0	114.3	R437 F440 E441 I444 V484 L485 F486 P490	R437-F488 HydrophobicContact CB-CE1 4.38Å; R437-F488 HydrophobicContact CG-CE1 4.09Å; F440-F488 HydrophobicContact CB-CD1 4.22Å; F440-F488 HydrophobicContact CB-CD2 4.44Å; F440-F488 HydrophobicContact CB-CE1 4.14Å; F440-F488 HydrophobicContact CB-CE2 4.38Å; F440-F488 HydrophobicContact CB-CG 4.38Å; F440-F488 HydrophobicContact CB-CZ 4.23Å; E441-F488 HydrophobicContact CB-CD1 4.35Å; I444-F488 HydrophobicContact CB-CB 4.45Å; I444-F488 HydrophobicContact CG1-CB 4.19Å; V484-F488 HydrophobicContact CG1-CE2 4.35Å; V484-F488 VanDerWaalsContact O-CD2 3.26Å; V484-F488 WeakPolarHBondContact O-CD2 3.28Å; V484-F488 WeakPolarHBondContact O-CE2 3.28Å; L485-F488 WeakPolarHBondContact O-CD2 3.3Å; L485-F488 PolarHBondContact O-N 2.77Å; F486-F488 PolarHBondContact O-N 2.81Å; F488-P490 WeakPolarHBondContact O-CD 3.28Å
489	V	86.9	Confident	89.5	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.125	C	C	.	.			trans	-75.2	122.1	-175.8	178.2	0	0	0	0	110.9	I444 A452 I455 F486 R487 K492	I444-V489 HydrophobicContact CG2-CG2 4.1Å; A452-V489 HydrophobicContact CB-CG1 3.79Å; I455-V489 HydrophobicContact CD1-CG2 3.49Å; I455-V489 VanDerWaalsContact CD1-CG2 3.49Å; F486-V489 HydrophobicContact CD2-CB 4.42Å; F486-V489 HydrophobicContact CD2-CG2 4.4Å; F486-V489 WeakPolarHBondContact O-CB 3.39Å; F486-V489 PolarHBondContact O-N 2.58Å; R487-V489 VanDerWaalsContact C-N 3.27Å; R487-V489 PolarHBondContact O-N 3.16Å; V489-K492 PolarHBondContact O-NZ 2.79Å
490	P	75.5	Confident	89.5	Confident	38 Å²	38	26.1 Å²	26.1	25%	0.247	13%	0.127	C	C	.	.	S	Bend	trans	-73.8	140.5	169.2	34.1	-37.2	0	0	0	110	I445 F488 Q775	I445-P490 HydrophobicContact CG1-CB 4.44Å; I445-P490 HydrophobicContact CG1-CG 3.94Å; F488-P490 WeakPolarHBondContact O-CD 3.28Å; P490-Q775 HydrophobicContact CB-CB 4.44Å; P490-Q775 HydrophobicContact CB-CG 4.35Å
491	G	78.8	Confident	89.4	Confident	3 Å²	3	24 Å²	24	3%	0.031	12%	0.115	C	C	.	.			trans	70.9	66.5	177.4	0	0	0	0	0	113.3	D493 M494	G491-D493 WeakPolarHBondContact CA-OD1 3.26Å; G491-D493 PolarHBondContact O-N 2.94Å; G491-M494 WeakPolarHBondContact O-CB 3.35Å; G491-M494 PolarHBondContact O-N 2.98Å
492	K	86.8	Confident	89.3	Confident	51 Å²	51	20.4 Å²	20.4	22%	0.222	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-19.3	179.2	-67.2	177.2	167.1	60.6	0	112.6	F486 R487 V489 M494 F495 E496 F533 R773	F486-K492 HydrophobicContact CE1-CD 4.08Å; F486-K492 HydrophobicContact CE1-CG 4.48Å; F486-K492 HydrophobicContact CE2-CB 4.27Å; F486-K492 HydrophobicContact CE2-CD 4.39Å; F486-K492 HydrophobicContact CE2-CG 3.9Å; F486-K492 HydrophobicContact CZ-CB 4Å; F486-K492 HydrophobicContact CZ-CD 3.78Å; F486-K492 HydrophobicContact CZ-CG 3.72Å; F486-K492 PolarHBondContact O-NZ 3.1Å; R487-K492 PolarHBondContact O-NZ 3.07Å; V489-K492 PolarHBondContact O-NZ 2.79Å; K492-M494 VanDerWaalsContact C-N 3.28Å; K492-M494 PolarHBondContact O-N 3.46Å; K492-F495 WeakPolarHBondContact O-CB 3.3Å; K492-F495 PolarHBondContact O-N 3.08Å; K492-E496 PolarHBondContact O-N 3.47Å; K492-F533 HydrophobicContact CB-CE2 4.03Å; K492-F533 HydrophobicContact CB-CZ 4.36Å; K492-F533 WeakPolarHBondContact O-CE2 3.37Å; K492-F533 WeakPolarHBondContact O-CZ 3.42Å; K492-R773 PolarHBondContact N-O 2.94Å
493	D	86.5	Confident	89.2	Confident	9 Å²	9	20.3 Å²	20.3	5%	0.048	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-32.4	168.7	63.3	-27.1	0	0	0	113.6	G491 E496 A497 V737 R741	G491-D493 WeakPolarHBondContact CA-OD1 3.26Å; G491-D493 PolarHBondContact O-N 2.94Å; D493-E496 WeakPolarHBondContact O-CB 3.38Å; D493-E496 PolarHBondContact O-N 2.98Å; D493-A497 PolarHBondContact O-N 3.38Å; D493-A497 VanDerWaalsContact O-N 3.1Å; D493-V737 HydrophobicContact CB-CG1 4.46Å; D493-V737 WeakPolarHBondContact OD2-CG1 3.16Å; D493-R741 IonicContact OD1-CZ 3.88Å; D493-R741 IonicContact OD1-NE 2.92Å; D493-R741 IonicContact OD1-NH2 2.63Å; D493-R741 PolarHBondContact OD1-NH2 3.41Å; D493-R741 VanDerWaalsContact OD2-CG 3.28Å; D493-R741 WeakPolarHBondContact OD2-CG 3.18Å; D493-R741 IonicContact OD2-CZ 3.32Å; D493-R741 IonicContact OD2-NE 2.85Å; D493-R741 PolarHBondContact OD2-NE 2.65Å; D493-R741 IonicContact OD2-NH2 3.7Å; D493-R741 PolarHBondContact OD2-NH2 3.47Å
494	M	89.4	Confident	89.2	Confident	23 Å²	23	20 Å²	20	11%	0.113	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-46.1	173.3	-161.6	101.6	-93.3	0	0	110.5	A452 G491 K492 A497 F498 Y734 V737	A452-M494 HydrophobicContact CB-CB 3.75Å; A452-M494 HydrophobicContact CB-CG 3.94Å; G491-M494 WeakPolarHBondContact O-CB 3.35Å; G491-M494 PolarHBondContact O-N 2.98Å; K492-M494 VanDerWaalsContact C-N 3.28Å; K492-M494 PolarHBondContact O-N 3.46Å; M494-A497 PolarHBondContact O-N 2.88Å; M494-F498 HydrophobicContact CE-CE2 4.36Å; M494-F498 HydrophobicContact CG-CD2 4.45Å; M494-F498 HydrophobicContact CG-CE2 4.39Å; M494-F498 WeakPolarHBondContact O-CD2 3.36Å; M494-F498 PolarHBondContact O-N 3.05Å; M494-Y734 HydrophobicContact CE-CD1 3.33Å; M494-Y734 HydrophobicContact CE-CE1 3.63Å; M494-Y734 HydrophobicContact CE-CG 4.3Å; M494-Y734 HydrophobicContact CG-CE1 4.09Å; M494-Y734 HydrophobicContact SD-CD1 3.6Å; M494-Y734 HydrophobicContact SD-CE1 3.46Å; M494-Y734 WeakPolarHBondContact SD-CE1 3.46Å; M494-V737 HydrophobicContact CE-CB 3.48Å; M494-V737 VanDerWaalsContact CE-CB 3.48Å; M494-V737 HydrophobicContact CE-CG1 3.67Å; M494-V737 HydrophobicContact CE-CG2 3.77Å
495	F	91.9	Very high	89	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-43.2	174.1	171.8	-87.4	0	0	0	110.9	A452 I455 A456 I459 F486 K492 A497 F498 Y499 L525 F533	A452-F495 HydrophobicContact CB-CB 4.12Å; I455-F495 HydrophobicContact CB-CD2 4.46Å; I455-F495 HydrophobicContact CG2-CD2 4.21Å; I455-F495 HydrophobicContact CG2-CE2 3.91Å; A456-F495 HydrophobicContact CB-CD2 3.71Å; A456-F495 HydrophobicContact CB-CE2 3.84Å; I459-F495 HydrophobicContact CD1-CE2 3.93Å; I459-F495 HydrophobicContact CD1-CZ 3.95Å; F486-F495 HydrophobicContact CD2-CD1 4.44Å; F486-F495 HydrophobicContact CD2-CD2 4.24Å; F486-F495 HydrophobicContact CD2-CG 4.15Å; F486-F495 HydrophobicContact CE2-CB 3.82Å; F486-F495 AromaticContact CE2-CD1 3.63Å; F486-F495 HydrophobicContact CE2-CD1 3.63Å; F486-F495 HydrophobicContact CE2-CD2 4.12Å; F486-F495 HydrophobicContact CE2-CE1 4.23Å; F486-F495 AromaticContact CE2-CG 3.57Å; F486-F495 HydrophobicContact CE2-CG 3.57Å; F486-F495 HydrophobicContact CZ-CD1 4.02Å; F486-F495 HydrophobicContact CZ-CE1 4.44Å; F486-F495 HydrophobicContact CZ-CG 4.41Å; K492-F495 WeakPolarHBondContact O-CB 3.3Å; K492-F495 PolarHBondContact O-N 3.08Å; F495-A497 VanDerWaalsContact C-N 3.33Å; F495-A497 PolarHBondContact O-N 2.97Å; F495-F498 PolarHBondContact O-N 3.27Å; F495-Y499 HydrophobicContact CE1-CD2 4.39Å; F495-Y499 HydrophobicContact CE1-CG 4.07Å; F495-Y499 HydrophobicContact CE2-CD2 4.4Å; F495-Y499 AromaticContact CZ-CD2 3.83Å; F495-Y499 HydrophobicContact CZ-CD2 3.83Å; F495-Y499 AromaticContact CZ-CG 3.98Å; F495-Y499 HydrophobicContact CZ-CG 3.98Å; F495-Y499 WeakPolarHBondContact O-CB 3.4Å; F495-Y499 PolarHBondContact O-N 3.06Å; F495-L525 HydrophobicContact CE1-CD1 4.12Å; F495-L525 HydrophobicContact CE1-CD2 3.82Å; F495-L525 HydrophobicContact CZ-CD1 4.48Å; F495-L525 HydrophobicContact CZ-CD2 4.27Å; F495-F533 HydrophobicContact CD1-CE1 4.41Å; F495-F533 HydrophobicContact CD1-CZ 4.08Å
496	E	91.4	Very high	89	Confident	16 Å²	16	20.3 Å²	20.3	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-52	-50.7	176.4	-164.8	-163.5	133.9	0	0	111.1	K492 D493 Y499 Q500 F533 K536	K492-E496 PolarHBondContact O-N 3.47Å; D493-E496 WeakPolarHBondContact O-CB 3.38Å; D493-E496 PolarHBondContact O-N 2.98Å; E496-Y499 PolarHBondContact O-N 3.39Å; E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.01Å; E496-F533 HydrophobicContact CB-CE2 3.7Å; E496-F533 HydrophobicContact CB-CZ 3.75Å; E496-F533 HydrophobicContact CG-CD2 4.47Å; E496-F533 HydrophobicContact CG-CE2 4.07Å; E496-F533 HydrophobicContact CG-CZ 4.17Å; E496-K536 WeakPolarHBondContact OE1-CD 3.29Å; E496-K536 WeakPolarHBondContact OE1-CE 3.26Å; E496-K536 IonicContact OE1-NZ 2.7Å; E496-K536 PolarHBondContact OE1-NZ 3.08Å
497	A	90.7	Very high	88.9	Confident	18 Å²	18	21.1 Å²	21.1	15%	0.149	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-47.7	-177	0	0	0	0	0	113.1	D493 M494 F495 K501 T733 V737	D493-A497 PolarHBondContact O-N 3.38Å; D493-A497 VanDerWaalsContact O-N 3.1Å; M494-A497 PolarHBondContact O-N 2.88Å; F495-A497 VanDerWaalsContact C-N 3.33Å; F495-A497 PolarHBondContact O-N 2.97Å; A497-K501 WeakPolarHBondContact O-CB 3.11Å; A497-K501 PolarHBondContact O-N 3.24Å; A497-T733 HydrophobicContact CB-CG2 4.07Å; A497-V737 HydrophobicContact CB-CG2 3.36Å
498	F	92.3	Very high	88.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.1	-43.6	176.3	-79.7	-74.1	0	0	0	111.6	E453 A456 M494 F495 K501 Y502 T733 Y734	E453-F498 HydrophobicContact CB-CD2 4.02Å; E453-F498 HydrophobicContact CB-CE2 4.13Å; E453-F498 HydrophobicContact CB-CG 4.3Å; E453-F498 HydrophobicContact CB-CZ 4.47Å; E453-F498 HydrophobicContact CG-CD1 3.96Å; E453-F498 HydrophobicContact CG-CD2 4.26Å; E453-F498 HydrophobicContact CG-CE1 4.01Å; E453-F498 HydrophobicContact CG-CE2 4.32Å; E453-F498 HydrophobicContact CG-CG 4.11Å; E453-F498 HydrophobicContact CG-CZ 4.21Å; A456-F498 HydrophobicContact CB-CB 3.78Å; M494-F498 HydrophobicContact CE-CE2 4.36Å; M494-F498 HydrophobicContact CG-CD2 4.45Å; M494-F498 HydrophobicContact CG-CE2 4.39Å; M494-F498 WeakPolarHBondContact O-CD2 3.36Å; M494-F498 PolarHBondContact O-N 3.05Å; F495-F498 PolarHBondContact O-N 3.27Å; F498-K501 WeakPolarHBondContact O-CB 3.39Å; F498-K501 PolarHBondContact O-N 3.5Å; F498-Y502 HydrophobicContact CB-CD2 4.47Å; F498-Y502 HydrophobicContact CB-CE2 4.02Å; F498-Y502 HydrophobicContact CD1-CE2 4.34Å; F498-Y502 WeakPolarHBondContact O-CD2 3.48Å; F498-Y502 VanDerWaalsContact O-CG 3.28Å; F498-Y502 PolarHBondContact O-N 2.94Å; F498-T733 HydrophobicContact CD1-CG2 4.26Å; F498-T733 HydrophobicContact CD2-CG2 4.41Å; F498-T733 HydrophobicContact CE1-CG2 4Å; F498-T733 HydrophobicContact CE2-CG2 4.14Å; F498-T733 HydrophobicContact CG-CG2 4.44Å; F498-T733 HydrophobicContact CZ-CG2 3.91Å; F498-Y734 HydrophobicContact CE2-CD1 4.38Å; F498-Y734 AromaticContact CE2-CE1 3.72Å; F498-Y734 HydrophobicContact CE2-CE1 3.72Å; F498-Y734 AromaticContact CE2-CE2 3.92Å; F498-Y734 HydrophobicContact CE2-CE2 3.92Å; F498-Y734 AromaticContact CE2-CZ 3.42Å; F498-Y734 VanDerWaalsContact CE2-CZ 3.42Å; F498-Y734 WeakPolarHBondContact CE2-OH 3.5Å; F498-Y734 HydrophobicContact CZ-CD2 4.04Å; F498-Y734 HydrophobicContact CZ-CE1 4.13Å; F498-Y734 AromaticContact CZ-CE2 3.45Å; F498-Y734 HydrophobicContact CZ-CE2 3.45Å; F498-Y734 VanDerWaalsContact CZ-CE2 3.45Å; F498-Y734 AromaticContact CZ-CZ 3.46Å; F498-Y734 VanDerWaalsContact CZ-CZ 3.46Å
499	Y	93.6	Very high	88.5	Confident	3 Å²	3	17.8 Å²	17.8	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-42.7	178.4	-170.3	-95.3	0	0	0	112.2	I459 F495 E496 K501 Y502 L503 R506 E518 L521 L525 L537	I459-Y499 HydrophobicContact CG2-CE2 3.77Å; F495-Y499 HydrophobicContact CE1-CD2 4.39Å; F495-Y499 HydrophobicContact CE1-CG 4.07Å; F495-Y499 HydrophobicContact CE2-CD2 4.4Å; F495-Y499 AromaticContact CZ-CD2 3.83Å; F495-Y499 HydrophobicContact CZ-CD2 3.83Å; F495-Y499 AromaticContact CZ-CG 3.98Å; F495-Y499 HydrophobicContact CZ-CG 3.98Å; F495-Y499 WeakPolarHBondContact O-CB 3.4Å; F495-Y499 PolarHBondContact O-N 3.06Å; E496-Y499 PolarHBondContact O-N 3.39Å; Y499-K501 VanDerWaalsContact C-N 3.33Å; Y499-K501 PolarHBondContact O-N 3.17Å; Y499-Y502 PolarHBondContact O-N 3.14Å; Y499-L503 HydrophobicContact CE1-CB 4.34Å; Y499-L503 HydrophobicContact CE1-CD2 4.37Å; Y499-L503 VanDerWaalsContact O-CB 3.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.45Å; Y499-L503 PolarHBondContact O-N 3.47Å; Y499-R506 PolarHBondContact OH-NH2 2.87Å; Y499-E518 PolarHBondContact OH-OE2 3.3Å; Y499-L521 HydrophobicContact CE2-CD2 3.98Å; Y499-L521 WeakPolarHBondContact OH-CD2 3.38Å; Y499-L525 HydrophobicContact CE1-CD1 4.42Å; Y499-L537 HydrophobicContact CD1-CD1 3.86Å; Y499-L537 HydrophobicContact CD1-CD2 4.16Å; Y499-L537 HydrophobicContact CE1-CD1 4.1Å
500	Q	93.2	Very high	88.2	Confident	19 Å²	19	22.9 Å²	22.9	9%	0.089	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-44.6	173.7	-171.7	-168.5	10.1	0	0	111	E496 A504 L537 M540 S580 P582	E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.01Å; Q500-A504 VanDerWaalsContact O-CB 3.31Å; Q500-A504 WeakPolarHBondContact O-CB 3.42Å; Q500-A504 PolarHBondContact O-N 3.16Å; Q500-L537 HydrophobicContact CB-CD2 3.89Å; Q500-L537 HydrophobicContact CG-CD2 4.08Å; Q500-M540 HydrophobicContact CG-CE 4.44Å; Q500-M540 HydrophobicContact CG-SD 3.65Å; Q500-S580 PolarHBondContact NE2-O 2.93Å; Q500-P582 HydrophobicContact CG-CG 4.29Å
501	K	90.7	Very high	88.4	Confident	30 Å²	30	22.9 Å²	22.9	13%	0.13	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-41.7	176.9	-165.6	-174.5	-165.6	-170.5	0	112.4	A497 F498 Y499 K505 P582 E725 D729 T733	A497-K501 WeakPolarHBondContact O-CB 3.11Å; A497-K501 PolarHBondContact O-N 3.24Å; F498-K501 WeakPolarHBondContact O-CB 3.39Å; F498-K501 PolarHBondContact O-N 3.5Å; Y499-K501 VanDerWaalsContact C-N 3.33Å; Y499-K501 PolarHBondContact O-N 3.17Å; K501-K505 WeakPolarHBondContact O-CG 3.17Å; K501-K505 PolarHBondContact O-N 2.69Å; K501-K505 VanDerWaalsContact O-N 3.16Å; K501-P582 HydrophobicContact CB-CG 4.48Å; K501-E725 WeakPolarHBondContact CD-OE1 3.32Å; K501-E725 WeakPolarHBondContact CE-OE1 3.41Å; K501-E725 IonicContact NZ-OE1 3.03Å; K501-E725 PolarHBondContact NZ-OE1 3.47Å; K501-D729 PolarHBondContact NZ-O 3.11Å; K501-T733 PolarHBondContact NZ-OG1 3.5Å
502	Y	91.6	Very high	88.6	Confident	9 Å²	9	24.3 Å²	24.3	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-70.5	-44.3	176.8	-64.9	-37.6	0	0	0	112.5	A456 R457 D460 F498 Y499 A504 K505 R506 E725	A456-Y502 HydrophobicContact CB-CD2 4.17Å; A456-Y502 HydrophobicContact CB-CE2 4.15Å; R457-Y502 HydrophobicContact CB-CE2 4.15Å; D460-Y502 HydrophobicContact CB-CD2 4Å; D460-Y502 HydrophobicContact CB-CG 3.96Å; F498-Y502 HydrophobicContact CB-CD2 4.47Å; F498-Y502 HydrophobicContact CB-CE2 4.02Å; F498-Y502 HydrophobicContact CD1-CE2 4.34Å; F498-Y502 WeakPolarHBondContact O-CD2 3.48Å; F498-Y502 VanDerWaalsContact O-CG 3.28Å; F498-Y502 PolarHBondContact O-N 2.94Å; Y499-Y502 PolarHBondContact O-N 3.14Å; Y502-A504 VanDerWaalsContact C-N 3.32Å; Y502-A504 PolarHBondContact O-N 3.39Å; Y502-K505 WeakPolarHBondContact O-CB 3.49Å; Y502-K505 PolarHBondContact O-N 3.04Å; Y502-R506 WeakPolarHBondContact O-CG 3.46Å; Y502-R506 PolarHBondContact O-N 3.09Å; Y502-E725 WeakPolarHBondContact CE1-OE2 3.42Å; Y502-E725 PolarHBondContact OH-OE2 2.87Å
503	L	92.7	Very high	88.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-43.8	173.7	-179.9	64.6	0	0	0	111.1	Y499 K505 R506 L507 E518 L537 M540 F541	Y499-L503 HydrophobicContact CE1-CB 4.34Å; Y499-L503 HydrophobicContact CE1-CD2 4.37Å; Y499-L503 VanDerWaalsContact O-CB 3.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.45Å; Y499-L503 PolarHBondContact O-N 3.47Å; L503-K505 VanDerWaalsContact C-N 3.34Å; L503-K505 PolarHBondContact O-N 3.3Å; L503-R506 PolarHBondContact O-N 2.92Å; L503-R506 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD1-CD1 3.98Å; L503-L507 HydrophobicContact CD1-CD2 4.4Å; L503-L507 HydrophobicContact CD1-CG 3.92Å; L503-L507 HydrophobicContact CD2-CD1 4.37Å; L503-L507 HydrophobicContact CG-CD1 3.82Å; L503-L507 HydrophobicContact CG-CG 4.17Å; L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 WeakPolarHBondContact O-CG 3.41Å; L503-L507 PolarHBondContact O-N 3.1Å; L503-E518 WeakPolarHBondContact CD1-OE2 2.98Å; L503-L537 HydrophobicContact CD2-CB 4.15Å; L503-L537 HydrophobicContact CD2-CD2 3.86Å; L503-M540 HydrophobicContact CB-CE 4.18Å; L503-M540 HydrophobicContact CD2-CE 4.02Å; L503-M540 HydrophobicContact CD2-SD 4.26Å; L503-M540 HydrophobicContact CG-CE 3.95Å; L503-F541 HydrophobicContact CD1-CE2 4.14Å; L503-F541 HydrophobicContact CD1-CZ 3.92Å; L503-F541 HydrophobicContact CD2-CE2 3.92Å
504	A	91.7	Very high	88	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-45.2	176.2	0	0	0	0	0	111.7	Q500 Y502 R506 L508 M540 W581 P582	Q500-A504 VanDerWaalsContact O-CB 3.31Å; Q500-A504 WeakPolarHBondContact O-CB 3.42Å; Q500-A504 PolarHBondContact O-N 3.16Å; Y502-A504 VanDerWaalsContact C-N 3.32Å; Y502-A504 PolarHBondContact O-N 3.39Å; A504-R506 PolarHBondContact O-N 3.07Å; A504-L508 WeakPolarHBondContact O-CB 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.36Å; A504-L508 PolarHBondContact O-N 3.36Å; A504-M540 HydrophobicContact CB-CE 3.67Å; A504-W581 HydrophobicContact CB-CE3 3.79Å; A504-W581 HydrophobicContact CB-CZ3 3.81Å; A504-P582 HydrophobicContact CB-CG 3.87Å
505	K	87.6	Confident	87.7	Confident	48 Å²	48	28.5 Å²	28.5	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-39.6	174	-70.8	172.6	-174.4	174.6	0	112	K501 Y502 L503 Q509 E725	K501-K505 WeakPolarHBondContact O-CG 3.17Å; K501-K505 PolarHBondContact O-N 2.69Å; K501-K505 VanDerWaalsContact O-N 3.16Å; Y502-K505 WeakPolarHBondContact O-CB 3.49Å; Y502-K505 PolarHBondContact O-N 3.04Å; L503-K505 VanDerWaalsContact C-N 3.34Å; L503-K505 PolarHBondContact O-N 3.3Å; K505-Q509 WeakPolarHBondContact O-CB 3.41Å; K505-Q509 VanDerWaalsContact O-CG 3.22Å; K505-Q509 WeakPolarHBondContact O-CG 3.39Å; K505-Q509 PolarHBondContact O-N 2.91Å; K505-E725 IonicContact NZ-OE1 3.98Å; K505-E725 PolarHBondContact NZ-OE1 3.04Å; K505-E725 IonicContact NZ-OE2 3.13Å
506	R	89.6	Confident	87.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-46.7	178.4	-68.9	-165.4	-55.8	-86.8	6	112.5	D460 R464 Y499 Y502 L503 A504 S510 K511 E518	D460-R506 WeakPolarHBondContact OD1-CD 3.33Å; D460-R506 WeakPolarHBondContact OD1-CG 3.31Å; D460-R506 IonicContact OD1-CZ 3.25Å; D460-R506 IonicContact OD1-NE 3.86Å; D460-R506 IonicContact OD1-NH1 3.08Å; D460-R506 PolarHBondContact OD1-NH1 2.73Å; R464-R506 HydrophobicContact CG-CG 4.18Å; Y499-R506 PolarHBondContact OH-NH2 2.87Å; Y502-R506 WeakPolarHBondContact O-CG 3.46Å; Y502-R506 PolarHBondContact O-N 3.09Å; L503-R506 PolarHBondContact O-N 2.92Å; L503-R506 VanDerWaalsContact O-N 3.12Å; A504-R506 PolarHBondContact O-N 3.07Å; R506-S510 PolarHBondContact O-N 3.16Å; R506-S510 VanDerWaalsContact O-N 3.12Å; R506-K511 PolarHBondContact O-N 2.98Å; R506-E518 IonicContact CZ-OE1 3.47Å; R506-E518 IonicContact CZ-OE2 2.97Å; R506-E518 IonicContact NE-OE1 2.7Å; R506-E518 PolarHBondContact NE-OE1 3.39Å; R506-E518 IonicContact NE-OE2 3.71Å; R506-E518 IonicContact NH2-OE1 3.49Å; R506-E518 PolarHBondContact NH2-OE1 2.98Å; R506-E518 IonicContact NH2-OE2 3.78Å; R506-E518 PolarHBondContact NH2-OE2 3.01Å
507	L	90	Very high	87.3	Confident	20 Å²	20	33 Å²	33	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-55.7	179.3	-68.8	175.9	0	0	0	111.7	L503 Q509 S510 M540 F541 M544 W581	L503-L507 HydrophobicContact CD1-CD1 3.98Å; L503-L507 HydrophobicContact CD1-CD2 4.4Å; L503-L507 HydrophobicContact CD1-CG 3.92Å; L503-L507 HydrophobicContact CD2-CD1 4.37Å; L503-L507 HydrophobicContact CG-CD1 3.82Å; L503-L507 HydrophobicContact CG-CG 4.17Å; L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 WeakPolarHBondContact O-CG 3.41Å; L503-L507 PolarHBondContact O-N 3.1Å; L507-Q509 VanDerWaalsContact C-N 3.29Å; L507-Q509 PolarHBondContact O-N 2.93Å; L507-S510 PolarHBondContact O-N 3.39Å; L507-S510 VanDerWaalsContact O-N 3.15Å; L507-M540 HydrophobicContact CD1-CB 4.22Å; L507-M540 HydrophobicContact CD1-CE 4.29Å; L507-F541 HydrophobicContact CD2-CD1 4.37Å; L507-F541 HydrophobicContact CD2-CE1 3.84Å; L507-F541 HydrophobicContact CD2-CZ 4.29Å; L507-M544 HydrophobicContact CB-CG 4.2Å; L507-M544 HydrophobicContact CB-SD 4.18Å; L507-M544 HydrophobicContact CD1-CG 4.08Å; L507-M544 HydrophobicContact CD2-CG 4.47Å; L507-M544 HydrophobicContact CG-CG 4.49Å; L507-W581 HydrophobicContact CB-CH2 4.31Å; L507-W581 HydrophobicContact CD1-CH2 4.06Å
508	L	87	Confident	87.3	Confident	28 Å²	28	32.1 Å²	32.1	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-31.3	-175.4	-66.3	170.9	0	0	0	113	A504 M544 N574 L576 W581 I621	A504-L508 WeakPolarHBondContact O-CB 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.36Å; A504-L508 PolarHBondContact O-N 3.36Å; L508-M544 HydrophobicContact CD2-CE 4.02Å; L508-M544 HydrophobicContact CD2-SD 4.36Å; L508-N574 HydrophobicContact CD2-CB 4.3Å; L508-L576 HydrophobicContact CD1-CD1 4.42Å; L508-L576 HydrophobicContact CD2-CD1 4.2Å; L508-L576 HydrophobicContact CD2-CD2 4.2Å; L508-W581 HydrophobicContact CD1-CE3 4.22Å; L508-W581 HydrophobicContact CD1-CZ3 3.8Å; L508-W581 HydrophobicContact CD2-CH2 4.21Å; L508-W581 HydrophobicContact CD2-CZ3 4.04Å; L508-W581 HydrophobicContact CG-CH2 4.24Å; L508-W581 HydrophobicContact CG-CZ3 3.71Å; L508-I621 HydrophobicContact CD1-CD1 3.94Å
509	Q	81.2	Confident	87.2	Confident	56 Å²	56	37.2 Å²	37.2	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.3	179.2	-55.8	-177.1	1.6	0	0	113.6	K505 L507 K511	K505-Q509 WeakPolarHBondContact O-CB 3.41Å; K505-Q509 VanDerWaalsContact O-CG 3.22Å; K505-Q509 WeakPolarHBondContact O-CG 3.39Å; K505-Q509 PolarHBondContact O-N 2.91Å; L507-Q509 VanDerWaalsContact C-N 3.29Å; L507-Q509 PolarHBondContact O-N 2.93Å; Q509-K511 HydrophobicContact CB-CD 3.99Å; Q509-K511 HydrophobicContact CB-CG 4.08Å; Q509-K511 VanDerWaalsContact OE1-CE 3.28Å
510	S	79.8	Confident	87.1	Confident	109 Å²	109	38.8 Å²	38.8	76%	0.762	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	56.4	-175.5	-61	0	0	0	0	112.7	R506 L507	R506-S510 PolarHBondContact O-N 3.16Å; R506-S510 VanDerWaalsContact O-N 3.12Å; L507-S510 PolarHBondContact O-N 3.39Å; L507-S510 VanDerWaalsContact O-N 3.15Å
511	K	79.5	Confident	87	Confident	39 Å²	39	38 Å²	38	17%	0.17	21%	0.211	C	C	.	.			trans	-119.5	7	-175.2	-74.2	-179.4	178.9	171.3	0	114.9	R464 S465 R506 Q509	R464-K511 CarbonylContact C-O 3.47Å; R464-K511 WeakPolarHBondContact CA-O 3.34Å; S465-K511 PolarHBondContact N-O 3.27Å; S465-K511 WeakPolarHBondContact OG-CA 3.31Å; S465-K511 PolarHBondContact OG-O 2.89Å; R506-K511 PolarHBondContact O-N 2.98Å; Q509-K511 HydrophobicContact CB-CD 3.99Å; Q509-K511 HydrophobicContact CB-CG 4.08Å; Q509-K511 VanDerWaalsContact OE1-CE 3.28Å
512	S	83.1	Confident	87.1	Confident	32 Å²	32	37.4 Å²	37.4	22%	0.224	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-68.5	141.8	174.4	-60.1	0	0	0	0	111	L463 E518	L463-S512 CarbonylContact O-C 3.45Å; L463-S512 WeakPolarHBondContact O-CA 3.33Å; S512-E518 VanDerWaalsContact CB-OE1 3.23Å; S512-E518 WeakPolarHBondContact CB-OE1 3.42Å; S512-E518 PolarHBondContact OG-OE1 3.23Å
513	A	78	Confident	87.2	Confident	43 Å²	43	40.5 Å²	40.5	36%	0.355	23%	0.233	S	C	.	.	S	Bend	trans	-72.5	-46.6	179.8	0	0	0	0	0	112.6	L463	L463-A513 PolarHBondContact O-N 2.92Å
514	S	83.3	Confident	87.2	Confident	33 Å²	33	42 Å²	42	23%	0.231	24%	0.239	C	C	.	.			trans	-140.4	140.2	171.8	164.3	0	0	0	0	107.9	E472 D516 A517 E518	E472-S514 PolarHBondContact OE1-OG 2.96Å; S514-D516 VanDerWaalsContact C-N 3.33Å; S514-D516 PolarHBondContact OG-N 3.02Å; S514-A517 PolarHBondContact OG-N 3.33Å; S514-A517 VanDerWaalsContact OG-N 3.15Å; S514-E518 WeakPolarHBondContact O-CG 3.16Å; S514-E518 PolarHBondContact O-N 2.91Å
515	F	83.8	Confident	87.3	Confident	95 Å²	95	42 Å²	42	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-74.8	-29.4	175.2	-174.4	-104.8	0	0	0	111.4	K519 F541	F515-K519 HydrophobicContact CD1-CD 4.27Å; F515-K519 HydrophobicContact CE1-CD 4.1Å; F515-K519 PolarHBondContact O-N 3.25Å; F515-F541 HydrophobicContact CD2-CD1 4.38Å; F515-F541 AromaticContact CD2-CE1 3.96Å; F515-F541 HydrophobicContact CD2-CE1 3.96Å; F515-F541 AromaticContact CE2-CD1 3.47Å; F515-F541 HydrophobicContact CE2-CD1 3.47Å; F515-F541 VanDerWaalsContact CE2-CD1 3.47Å; F515-F541 AromaticContact CE2-CE1 3.5Å; F515-F541 HydrophobicContact CE2-CE1 3.5Å; F515-F541 VanDerWaalsContact CE2-CE1 3.5Å; F515-F541 AromaticContact CZ-CD1 3.78Å; F515-F541 HydrophobicContact CZ-CD1 3.78Å; F515-F541 HydrophobicContact CZ-CE1 4.14Å
516	D	86.9	Confident	87.6	Confident	100 Å²	100	43.4 Å²	43.4	54%	0.535	25%	0.245	S	C	.	.	H	α-helix	trans	-80	-36.2	-179.5	-60.7	-49.5	0	0	0	110.9	S514 E518 K519 A520	S514-D516 VanDerWaalsContact C-N 3.33Å; S514-D516 PolarHBondContact OG-N 3.02Å; D516-E518 VanDerWaalsContact C-N 3.34Å; D516-E518 PolarHBondContact O-N 3.46Å; D516-K519 WeakPolarHBondContact O-CB 3.45Å; D516-K519 PolarHBondContact O-N 2.87Å; D516-A520 WeakPolarHBondContact O-CB 3.2Å; D516-A520 PolarHBondContact O-N 3.06Å
517	A	87.9	Confident	87.6	Confident	10 Å²	10	51.1 Å²	51.1	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-39.8	168.8	0	0	0	0	0	113	L463 L475 S514 A520 L521	L463-A517 HydrophobicContact CD2-CB 4.23Å; L475-A517 HydrophobicContact CD2-CB 3.89Å; S514-A517 PolarHBondContact OG-N 3.33Å; S514-A517 VanDerWaalsContact OG-N 3.15Å; A517-A520 PolarHBondContact O-N 3.27Å; A517-L521 PolarHBondContact O-N 3.07Å
518	E	89.5	Confident	87.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-38.3	175.5	-64.8	-103.2	-148.6	0	0	111.8	Y499 L503 R506 S512 S514 D516 L522 F541	Y499-E518 PolarHBondContact OH-OE2 3.3Å; L503-E518 WeakPolarHBondContact CD1-OE2 2.98Å; R506-E518 IonicContact CZ-OE1 3.47Å; R506-E518 IonicContact CZ-OE2 2.97Å; R506-E518 IonicContact NE-OE1 2.7Å; R506-E518 PolarHBondContact NE-OE1 3.39Å; R506-E518 IonicContact NE-OE2 3.71Å; R506-E518 IonicContact NH2-OE1 3.49Å; R506-E518 PolarHBondContact NH2-OE1 2.98Å; R506-E518 IonicContact NH2-OE2 3.78Å; R506-E518 PolarHBondContact NH2-OE2 3.01Å; S512-E518 VanDerWaalsContact CB-OE1 3.23Å; S512-E518 WeakPolarHBondContact CB-OE1 3.42Å; S512-E518 PolarHBondContact OG-OE1 3.23Å; S514-E518 WeakPolarHBondContact O-CG 3.16Å; S514-E518 PolarHBondContact O-N 2.91Å; D516-E518 VanDerWaalsContact C-N 3.34Å; D516-E518 PolarHBondContact O-N 3.46Å; E518-L522 WeakPolarHBondContact O-CB 3.43Å; E518-L522 PolarHBondContact O-N 2.88Å; E518-L522 VanDerWaalsContact O-N 3.08Å; E518-F541 HydrophobicContact CB-CE1 4.47Å; E518-F541 HydrophobicContact CB-CZ 3.87Å
519	K	90.3	Very high	87.4	Confident	106 Å²	106	53.3 Å²	53.3	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-41.3	172.9	-82.3	177.4	167.5	177.6	0	112.8	F515 D516 L522 S523	F515-K519 HydrophobicContact CD1-CD 4.27Å; F515-K519 HydrophobicContact CE1-CD 4.1Å; F515-K519 PolarHBondContact O-N 3.25Å; D516-K519 WeakPolarHBondContact O-CB 3.45Å; D516-K519 PolarHBondContact O-N 2.87Å; K519-L522 PolarHBondContact O-N 3.33Å; K519-S523 PolarHBondContact O-N 3.06Å
520	A	91.5	Very high	87.7	Confident	36 Å²	36	52.1 Å²	52.1	30%	0.298	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-50.9	178.6	0	0	0	0	0	110	D516 A517 L522 S523 K524	D516-A520 WeakPolarHBondContact O-CB 3.2Å; D516-A520 PolarHBondContact O-N 3.06Å; A517-A520 PolarHBondContact O-N 3.27Å; A520-L522 VanDerWaalsContact C-N 3.33Å; A520-L522 PolarHBondContact O-N 3.1Å; A520-S523 WeakPolarHBondContact O-CB 3.3Å; A520-S523 PolarHBondContact O-N 3.5Å; A520-S523 VanDerWaalsContact O-N 3.1Å; A520-K524 WeakPolarHBondContact O-CG 3.42Å; A520-K524 PolarHBondContact O-N 2.97Å
521	L	92	Very high	88.1	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-42.5	174.1	175.9	63	0	0	0	112.3	I459 L463 M479 L483 Y499 A517 S523 K524 L525	I459-L521 HydrophobicContact CG2-CD2 3.4Å; I459-L521 VanDerWaalsContact CG2-CD2 3.4Å; L463-L521 HydrophobicContact CD1-CD2 3.71Å; M479-L521 HydrophobicContact CB-CD1 4.42Å; M479-L521 HydrophobicContact CG-CD1 4.31Å; M479-L521 HydrophobicContact SD-CD1 4.05Å; M479-L521 HydrophobicContact SD-CD2 4.17Å; L483-L521 HydrophobicContact CD1-CD1 4.33Å; Y499-L521 HydrophobicContact CE2-CD2 3.98Å; Y499-L521 WeakPolarHBondContact OH-CD2 3.38Å; A517-L521 PolarHBondContact O-N 3.07Å; L521-S523 VanDerWaalsContact C-N 3.29Å; L521-S523 PolarHBondContact O-N 2.93Å; L521-K524 PolarHBondContact O-N 3.47Å; L521-L525 HydrophobicContact CD1-CD1 4.35Å; L521-L525 HydrophobicContact CD1-CG 4.19Å; L521-L525 HydrophobicContact CG-CD1 4.11Å; L521-L525 HydrophobicContact CG-CG 4.41Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.7Å
522	L	92.5	Very high	88.4	Confident	18 Å²	18	53.4 Å²	53.4	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-38.3	176.9	-172.3	150.3	0	0	0	111.5	E518 K519 A520 L525 K526 T534 L537 E538 F541	E518-L522 WeakPolarHBondContact O-CB 3.43Å; E518-L522 PolarHBondContact O-N 2.88Å; E518-L522 VanDerWaalsContact O-N 3.08Å; K519-L522 PolarHBondContact O-N 3.33Å; A520-L522 VanDerWaalsContact C-N 3.33Å; A520-L522 PolarHBondContact O-N 3.1Å; L522-L525 PolarHBondContact O-N 3.26Å; L522-K526 WeakPolarHBondContact O-CB 3.43Å; L522-K526 PolarHBondContact O-N 3.05Å; L522-T534 HydrophobicContact CG-CG2 4.4Å; L522-L537 HydrophobicContact CD1-CB 3.6Å; L522-E538 HydrophobicContact CD1-CG 4.14Å; L522-E538 HydrophobicContact CD2-CG 3.54Å; L522-E538 HydrophobicContact CG-CG 4.42Å; L522-F541 HydrophobicContact CD1-CD2 3.86Å; L522-F541 HydrophobicContact CD1-CE2 3.82Å
523	S	93.3	Very high	88.6	Confident	74 Å²	74	52.1 Å²	52.1	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-43	173.9	-166.7	0	0	0	0	111.9	K519 A520 L521 K526 Q527	K519-S523 PolarHBondContact O-N 3.06Å; A520-S523 WeakPolarHBondContact O-CB 3.3Å; A520-S523 PolarHBondContact O-N 3.5Å; A520-S523 VanDerWaalsContact O-N 3.1Å; L521-S523 VanDerWaalsContact C-N 3.29Å; L521-S523 PolarHBondContact O-N 2.93Å; S523-K526 WeakPolarHBondContact O-CB 3.13Å; S523-K526 PolarHBondContact O-N 3.38Å; S523-Q527 PolarHBondContact O-N 3.09Å
524	K	93.6	Very high	89.3	Confident	31 Å²	31	50.1 Å²	50.1	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-42.8	175.9	-62.8	-174.7	178.9	-164	0	111.6	D476 D480 L483 A520 L521 K526 Q527 E528	D476-K524 PolarHBondContact O-NZ 3.34Å; D476-K524 WeakPolarHBondContact OD1-CE 3.22Å; D476-K524 IonicContact OD1-NZ 3.9Å; D476-K524 PolarHBondContact OD1-NZ 3Å; D476-K524 IonicContact OD2-NZ 2.98Å; D476-K524 PolarHBondContact OD2-NZ 3.41Å; D480-K524 WeakPolarHBondContact OD1-CD 3.22Å; D480-K524 WeakPolarHBondContact OD1-CE 3.19Å; D480-K524 IonicContact OD1-NZ 3.13Å; D480-K524 PolarHBondContact OD1-NZ 2.87Å; D480-K524 IonicContact OD2-NZ 3.86Å; D480-K524 PolarHBondContact OD2-NZ 3.48Å; L483-K524 HydrophobicContact CD1-CB 3.4Å; L483-K524 HydrophobicContact CD1-CD 3.99Å; L483-K524 HydrophobicContact CD1-CG 4.29Å; A520-K524 WeakPolarHBondContact O-CG 3.42Å; A520-K524 PolarHBondContact O-N 2.97Å; L521-K524 PolarHBondContact O-N 3.47Å; K524-K526 VanDerWaalsContact C-N 3.29Å; K524-K526 PolarHBondContact O-N 3.36Å; K524-Q527 WeakPolarHBondContact O-CB 3.19Å; K524-Q527 PolarHBondContact O-N 2.82Å; K524-E528 WeakPolarHBondContact O-CG 3.46Å; K524-E528 PolarHBondContact O-N 3.25Å
525	L	93	Very high	89.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-36.5	172.7	-74.1	171.1	0	0	0	112.6	L483 F486 F495 Y499 L521 L522 E528 C529 T534	L483-L525 HydrophobicContact CD2-CD2 3.71Å; L483-L525 HydrophobicContact CD2-CG 4.4Å; F486-L525 HydrophobicContact CE1-CD2 4.08Å; F486-L525 HydrophobicContact CZ-CD2 4.4Å; F495-L525 HydrophobicContact CE1-CD1 4.12Å; F495-L525 HydrophobicContact CE1-CD2 3.82Å; F495-L525 HydrophobicContact CZ-CD1 4.48Å; F495-L525 HydrophobicContact CZ-CD2 4.27Å; Y499-L525 HydrophobicContact CE1-CD1 4.42Å; L521-L525 HydrophobicContact CD1-CD1 4.35Å; L521-L525 HydrophobicContact CD1-CG 4.19Å; L521-L525 HydrophobicContact CG-CD1 4.11Å; L521-L525 HydrophobicContact CG-CG 4.41Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.7Å; L522-L525 PolarHBondContact O-N 3.26Å; L525-E528 PolarHBondContact O-N 2.98Å; L525-C529 WeakPolarHBondContact O-CB 3.47Å; L525-C529 PolarHBondContact O-N 3.2Å; L525-T534 HydrophobicContact CB-CG2 4.01Å
526	K	93.1	Very high	90.2	Very high	79 Å²	79	50.5 Å²	50.5	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-66.8	-36.7	176.3	-169.9	171	-168	153.9	0	112.3	L522 S523 K524 G530 T534 E538	L522-K526 WeakPolarHBondContact O-CB 3.43Å; L522-K526 PolarHBondContact O-N 3.05Å; S523-K526 WeakPolarHBondContact O-CB 3.13Å; S523-K526 PolarHBondContact O-N 3.38Å; K524-K526 VanDerWaalsContact C-N 3.29Å; K524-K526 PolarHBondContact O-N 3.36Å; K526-G530 CarbonylContact O-C 3.57Å; K526-G530 WeakPolarHBondContact O-CA 3.15Å; K526-G530 PolarHBondContact O-N 3.26Å; K526-T534 HydrophobicContact CB-CG2 3.84Å; K526-E538 WeakPolarHBondContact CD-OE1 3.23Å; K526-E538 WeakPolarHBondContact CE-OE1 3.32Å; K526-E538 IonicContact NZ-OE1 3.93Å; K526-E538 PolarHBondContact NZ-OE1 3.37Å; K526-E538 IonicContact NZ-OE2 3.25Å; K526-E538 PolarHBondContact NZ-OE2 3.48Å
527	Q	90.9	Very high	90.5	Very high	161 Å²	161	45.8 Å²	45.8	75%	0.752	26%	0.257	S	S	*	.	H	α-helix	trans	-67.1	-41	174	-177.4	175.6	-3.4	0	0	111.8	S523 K524	S523-Q527 PolarHBondContact O-N 3.09Å; K524-Q527 WeakPolarHBondContact O-CB 3.19Å; K524-Q527 PolarHBondContact O-N 2.82Å
528	E	86	Confident	90.8	Very high	61 Å²	61	48.3 Å²	48.3	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-78.4	-32.3	-177.7	-68	-63.6	133.1	0	0	114.5	R487 K524 L525	R487-E528 WeakPolarHBondContact CG-OE2 3.34Å; R487-E528 IonicContact CZ-OE1 2.76Å; R487-E528 IonicContact CZ-OE2 3.91Å; R487-E528 IonicContact NE-OE1 2.66Å; R487-E528 IonicContact NE-OE2 2.93Å; R487-E528 PolarHBondContact NE-OE2 2.75Å; R487-E528 IonicContact NH2-OE1 3.58Å; R487-E528 PolarHBondContact NH2-OE1 2.89Å; R487-E528 IonicContact NH2-OE2 3.36Å; K524-E528 WeakPolarHBondContact O-CG 3.46Å; K524-E528 PolarHBondContact O-N 3.25Å; L525-E528 PolarHBondContact O-N 2.98Å
529	C	86.4	Confident	91.1	Very high	33 Å²	33	49.4 Å²	49.4	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-123.3	-4.3	-171.4	-66.7	0	0	0	0	115.1	F486 L525 F533	F486-C529 VanDerWaalsContact CE1-SG 3.55Å; L525-C529 WeakPolarHBondContact O-CB 3.47Å; L525-C529 PolarHBondContact O-N 3.2Å; C529-F533 HydrophobicContact CB-CB 3.57Å; C529-F533 HydrophobicContact CB-CD1 3.5Å; C529-F533 HydrophobicContact CB-CD2 4.06Å; C529-F533 HydrophobicContact CB-CE1 4.17Å; C529-F533 HydrophobicContact CB-CG 3.43Å; C529-F533 VanDerWaalsContact CB-CG 3.43Å
530	G	86.8	Confident	91.4	Very high	32 Å²	32	44.3 Å²	44.3	33%	0.33	26%	0.255	S	S	.	.			trans	81.5	166.5	-177.5	0	0	0	0	0	114.5	K526 D532 F533	K526-G530 CarbonylContact O-C 3.57Å; K526-G530 WeakPolarHBondContact O-CA 3.15Å; K526-G530 PolarHBondContact O-N 3.26Å; G530-D532 VanDerWaalsContact C-N 3.29Å; G530-D532 PolarHBondContact O-N 3.12Å; G530-F533 WeakPolarHBondContact O-CB 3.4Å; G530-F533 PolarHBondContact O-N 3.45Å
531	S	89.1	Confident	91.4	Very high	62 Å²	62	43.7 Å²	43.7	43%	0.434	25%	0.245	S	C	.	.	H	α-helix	trans	-58.4	-36.7	-178	49.4	0	0	0	0	114.2	F533 T534 A535	S531-F533 PolarHBondContact O-N 2.87Å; S531-T534 PolarHBondContact O-N 2.81Å; S531-T534 PolarHBondContact O-OG1 3.5Å; S531-A535 WeakPolarHBondContact O-CB 3.5Å; S531-A535 PolarHBondContact O-N 3.05Å
532	D	86.2	Confident	91.5	Very high	113 Å²	113	50.3 Å²	50.3	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-72.8	-9.9	-176	-63.6	5.3	0	0	0	112.9	G530 R773	G530-D532 VanDerWaalsContact C-N 3.29Å; G530-D532 PolarHBondContact O-N 3.12Å; D532-R773 PolarHBondContact O-NH1 3.41Å; D532-R773 IonicContact OD2-NH2 3.19Å
533	F	87.4	Confident	91.7	Very high	5 Å²	5	50 Å²	50	2%	0.022	27%	0.272	C	S	.	.	H	α-helix	trans	-87.4	-43.4	171.4	-173.2	-99.9	0	0	0	110.8	F486 K492 F495 E496 C529 G530 S531	F486-F533 HydrophobicContact CZ-CZ 4.34Å; K492-F533 HydrophobicContact CB-CE2 4.03Å; K492-F533 HydrophobicContact CB-CZ 4.36Å; K492-F533 WeakPolarHBondContact O-CE2 3.37Å; K492-F533 WeakPolarHBondContact O-CZ 3.42Å; F495-F533 HydrophobicContact CD1-CE1 4.41Å; F495-F533 HydrophobicContact CD1-CZ 4.08Å; E496-F533 HydrophobicContact CB-CE2 3.7Å; E496-F533 HydrophobicContact CB-CZ 3.75Å; E496-F533 HydrophobicContact CG-CD2 4.47Å; E496-F533 HydrophobicContact CG-CE2 4.07Å; E496-F533 HydrophobicContact CG-CZ 4.17Å; C529-F533 HydrophobicContact CB-CB 3.57Å; C529-F533 HydrophobicContact CB-CD1 3.5Å; C529-F533 HydrophobicContact CB-CD2 4.06Å; C529-F533 HydrophobicContact CB-CE1 4.17Å; C529-F533 HydrophobicContact CB-CG 3.43Å; C529-F533 VanDerWaalsContact CB-CG 3.43Å; G530-F533 WeakPolarHBondContact O-CB 3.4Å; G530-F533 PolarHBondContact O-N 3.45Å; S531-F533 PolarHBondContact O-N 2.87Å
534	T	92.7	Very high	91.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-84.3	-13	-178.2	55.5	0	0	0	0	114.2	L522 L525 K526 S531 K536 L537 E538	L522-T534 HydrophobicContact CG-CG2 4.4Å; L525-T534 HydrophobicContact CB-CG2 4.01Å; K526-T534 HydrophobicContact CB-CG2 3.84Å; S531-T534 PolarHBondContact O-N 2.81Å; S531-T534 PolarHBondContact O-OG1 3.5Å; T534-K536 VanDerWaalsContact C-N 3.32Å; T534-K536 PolarHBondContact O-N 3.1Å; T534-K536 VanDerWaalsContact O-N 3.14Å; T534-L537 WeakPolarHBondContact O-CA 3.4Å; T534-L537 WeakPolarHBondContact O-CB 3.39Å; T534-L537 PolarHBondContact O-N 2.97Å; T534-E538 WeakPolarHBondContact CB-OE1 3.45Å; T534-E538 PolarHBondContact O-N 2.85Å; T534-E538 PolarHBondContact OG1-OE1 3.03Å
535	A	92.7	Very high	91.6	Very high	54 Å²	54	51.7 Å²	51.7	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-49.2	-42.8	-174.3	0	0	0	0	0	115	S531 A539	S531-A535 WeakPolarHBondContact O-CB 3.5Å; S531-A535 PolarHBondContact O-N 3.05Å; A535-A539 WeakPolarHBondContact O-CB 3.41Å; A535-A539 PolarHBondContact O-N 3.15Å
536	K	92.4	Very high	91.6	Very high	82 Å²	82	55 Å²	55	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-66.7	-44.7	176.1	-64.2	179.5	-164.6	150	0	111.8	E496 T534 E538 A539 M540	E496-K536 WeakPolarHBondContact OE1-CD 3.29Å; E496-K536 WeakPolarHBondContact OE1-CE 3.26Å; E496-K536 IonicContact OE1-NZ 2.7Å; E496-K536 PolarHBondContact OE1-NZ 3.08Å; T534-K536 VanDerWaalsContact C-N 3.32Å; T534-K536 PolarHBondContact O-N 3.1Å; T534-K536 VanDerWaalsContact O-N 3.14Å; K536-E538 VanDerWaalsContact C-N 3.35Å; K536-E538 PolarHBondContact O-N 3.49Å; K536-A539 WeakPolarHBondContact O-CB 3.4Å; K536-A539 PolarHBondContact O-N 3.28Å; K536-M540 WeakPolarHBondContact O-CG 3.37Å; K536-M540 PolarHBondContact O-N 3.28Å
537	L	94	Very high	91.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-42.3	179.9	-51.5	175.9	0	0	0	110.5	Y499 Q500 L503 L522 T534 A539 M540 F541	Y499-L537 HydrophobicContact CD1-CD1 3.86Å; Y499-L537 HydrophobicContact CD1-CD2 4.16Å; Y499-L537 HydrophobicContact CE1-CD1 4.1Å; Q500-L537 HydrophobicContact CB-CD2 3.89Å; Q500-L537 HydrophobicContact CG-CD2 4.08Å; L503-L537 HydrophobicContact CD2-CB 4.15Å; L503-L537 HydrophobicContact CD2-CD2 3.86Å; L522-L537 HydrophobicContact CD1-CB 3.6Å; T534-L537 WeakPolarHBondContact O-CA 3.4Å; T534-L537 WeakPolarHBondContact O-CB 3.39Å; T534-L537 PolarHBondContact O-N 2.97Å; L537-A539 PolarHBondContact O-N 3.1Å; L537-M540 HydrophobicContact CD2-SD 4.16Å; L537-M540 WeakPolarHBondContact O-CB 3.44Å; L537-M540 PolarHBondContact O-N 3.25Å; L537-F541 VanDerWaalsContact O-CD2 3.28Å; L537-F541 WeakPolarHBondContact O-CD2 3.45Å; L537-F541 PolarHBondContact O-N 3.46Å
538	E	94.3	Very high	91.8	Very high	64 Å²	64	50.2 Å²	50.2	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-42.1	173.5	-70.2	177.5	-135.5	0	0	111.8	L522 K526 T534 K536 F541 K542	L522-E538 HydrophobicContact CD1-CG 4.14Å; L522-E538 HydrophobicContact CD2-CG 3.54Å; L522-E538 HydrophobicContact CG-CG 4.42Å; K526-E538 WeakPolarHBondContact CD-OE1 3.23Å; K526-E538 WeakPolarHBondContact CE-OE1 3.32Å; K526-E538 IonicContact NZ-OE1 3.93Å; K526-E538 PolarHBondContact NZ-OE1 3.37Å; K526-E538 IonicContact NZ-OE2 3.25Å; K526-E538 PolarHBondContact NZ-OE2 3.48Å; T534-E538 WeakPolarHBondContact CB-OE1 3.45Å; T534-E538 PolarHBondContact O-N 2.85Å; T534-E538 PolarHBondContact OG1-OE1 3.03Å; K536-E538 VanDerWaalsContact C-N 3.35Å; K536-E538 PolarHBondContact O-N 3.49Å; E538-F541 PolarHBondContact O-N 3.31Å; E538-K542 PolarHBondContact O-N 2.98Å
539	A	95.5	Very high	92.2	Very high	23 Å²	23	52.1 Å²	52.1	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-37.8	174.8	0	0	0	0	0	112.5	A535 K536 L537 F541 K542 D543 S580	A535-A539 WeakPolarHBondContact O-CB 3.41Å; A535-A539 PolarHBondContact O-N 3.15Å; K536-A539 WeakPolarHBondContact O-CB 3.4Å; K536-A539 PolarHBondContact O-N 3.28Å; L537-A539 PolarHBondContact O-N 3.1Å; A539-F541 VanDerWaalsContact C-N 3.35Å; A539-F541 PolarHBondContact O-N 3.44Å; A539-K542 WeakPolarHBondContact O-CB 3.3Å; A539-K542 PolarHBondContact O-N 2.8Å; A539-K542 VanDerWaalsContact O-N 3.16Å; A539-D543 PolarHBondContact O-N 3.14Å; A539-S580 WeakPolarHBondContact CB-OG 3.36Å
540	M	95.1	Very high	92.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-42	173.6	-65.3	166.2	63.9	0	0	112.1	Q500 L503 A504 L507 K536 L537 D543 M544 S580 W581	Q500-M540 HydrophobicContact CG-CE 4.44Å; Q500-M540 HydrophobicContact CG-SD 3.65Å; L503-M540 HydrophobicContact CB-CE 4.18Å; L503-M540 HydrophobicContact CD2-CE 4.02Å; L503-M540 HydrophobicContact CD2-SD 4.26Å; L503-M540 HydrophobicContact CG-CE 3.95Å; A504-M540 HydrophobicContact CB-CE 3.67Å; L507-M540 HydrophobicContact CD1-CB 4.22Å; L507-M540 HydrophobicContact CD1-CE 4.29Å; K536-M540 WeakPolarHBondContact O-CG 3.37Å; K536-M540 PolarHBondContact O-N 3.28Å; L537-M540 HydrophobicContact CD2-SD 4.16Å; L537-M540 WeakPolarHBondContact O-CB 3.44Å; L537-M540 PolarHBondContact O-N 3.25Å; M540-D543 PolarHBondContact O-N 2.98Å; M540-M544 WeakPolarHBondContact O-CG 3.44Å; M540-M544 PolarHBondContact O-N 2.84Å; M540-M544 VanDerWaalsContact O-N 3.08Å; M540-S580 VanDerWaalsContact CG-O 3.27Å; M540-S580 WeakPolarHBondContact CG-O 3.3Å; M540-W581 HydrophobicContact CB-CD2 4.48Å; M540-W581 HydrophobicContact CB-CH2 4.17Å; M540-W581 HydrophobicContact CB-CZ2 3.64Å; M540-W581 HydrophobicContact CE-CD2 4.27Å; M540-W581 HydrophobicContact CE-CE3 3.87Å; M540-W581 HydrophobicContact CE-CH2 4.18Å; M540-W581 HydrophobicContact CE-CZ3 3.82Å; M540-W581 HydrophobicContact CG-CD2 3.86Å; M540-W581 HydrophobicContact CG-CE3 4.4Å; M540-W581 HydrophobicContact CG-CG 4.16Å; M540-W581 HydrophobicContact CG-CH2 4.48Å; M540-W581 HydrophobicContact CG-CZ2 3.95Å; M540-W581 WeakPolarHBondContact O-CZ2 3.39Å
541	F	92.8	Very high	92.9	Very high	22 Å²	22	50.3 Å²	50.3	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-40.3	173.6	-82.2	-74.7	0	0	0	112.5	L503 L507 F515 E518 L522 L537 E538 A539 M544 H545	L503-F541 HydrophobicContact CD1-CE2 4.14Å; L503-F541 HydrophobicContact CD1-CZ 3.92Å; L503-F541 HydrophobicContact CD2-CE2 3.92Å; L507-F541 HydrophobicContact CD2-CD1 4.37Å; L507-F541 HydrophobicContact CD2-CE1 3.84Å; L507-F541 HydrophobicContact CD2-CZ 4.29Å; F515-F541 HydrophobicContact CD2-CD1 4.38Å; F515-F541 AromaticContact CD2-CE1 3.96Å; F515-F541 HydrophobicContact CD2-CE1 3.96Å; F515-F541 AromaticContact CE2-CD1 3.47Å; F515-F541 HydrophobicContact CE2-CD1 3.47Å; F515-F541 VanDerWaalsContact CE2-CD1 3.47Å; F515-F541 AromaticContact CE2-CE1 3.5Å; F515-F541 HydrophobicContact CE2-CE1 3.5Å; F515-F541 VanDerWaalsContact CE2-CE1 3.5Å; F515-F541 AromaticContact CZ-CD1 3.78Å; F515-F541 HydrophobicContact CZ-CD1 3.78Å; F515-F541 HydrophobicContact CZ-CE1 4.14Å; E518-F541 HydrophobicContact CB-CE1 4.47Å; E518-F541 HydrophobicContact CB-CZ 3.87Å; L522-F541 HydrophobicContact CD1-CD2 3.86Å; L522-F541 HydrophobicContact CD1-CE2 3.82Å; L537-F541 VanDerWaalsContact O-CD2 3.28Å; L537-F541 WeakPolarHBondContact O-CD2 3.45Å; L537-F541 PolarHBondContact O-N 3.46Å; E538-F541 PolarHBondContact O-N 3.31Å; A539-F541 VanDerWaalsContact C-N 3.35Å; A539-F541 PolarHBondContact O-N 3.44Å; F541-M544 PolarHBondContact O-N 2.81Å; F541-H545 PolarHBondContact O-N 3.02Å; F541-H545 VanDerWaalsContact O-N 3.12Å
542	K	94.2	Very high	93.1	Very high	142 Å²	142	50.7 Å²	50.7	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-63.8	-45.2	176.6	-170.1	177.4	-179	177.2	0	111.8	E538 A539 M544 H545 L546	E538-K542 PolarHBondContact O-N 2.98Å; A539-K542 WeakPolarHBondContact O-CB 3.3Å; A539-K542 PolarHBondContact O-N 2.8Å; A539-K542 VanDerWaalsContact O-N 3.16Å; K542-M544 VanDerWaalsContact C-N 3.32Å; K542-M544 PolarHBondContact O-N 3.26Å; K542-H545 PolarHBondContact O-N 3.21Å; K542-H545 VanDerWaalsContact O-N 3.13Å; K542-L546 HydrophobicContact CG-CD1 4Å; K542-L546 HydrophobicContact CG-CG 4.43Å; K542-L546 WeakPolarHBondContact O-CG 3.43Å; K542-L546 PolarHBondContact O-N 2.97Å
543	D	95.4	Very high	93.4	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-39.6	176.2	-73.4	-16.1	0	0	0	111.8	A539 M540 H545 S547 T577 W581	A539-D543 PolarHBondContact O-N 3.14Å; M540-D543 PolarHBondContact O-N 2.98Å; D543-H545 VanDerWaalsContact C-N 3.34Å; D543-H545 PolarHBondContact O-N 3.33Å; D543-S547 WeakPolarHBondContact O-CB 3.48Å; D543-S547 PolarHBondContact O-N 3.26Å; D543-S547 PolarHBondContact O-OG 3.25Å; D543-T577 PolarHBondContact OD1-OG1 3.21Å; D543-T577 VanDerWaalsContact OD2-CB 3.25Å; D543-T577 WeakPolarHBondContact OD2-CB 3.39Å; D543-T577 PolarHBondContact OD2-N 2.93Å; D543-T577 PolarHBondContact OD2-OG1 2.64Å; D543-W581 HydrophobicContact CB-CZ2 4.24Å; D543-W581 PolarHBondContact OD2-NE1 3.47Å
544	M	92.7	Very high	93.7	Very high	19 Å²	19	46.6 Å²	46.6	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-33.6	174.6	-70.2	-65.7	90.1	0	0	113.2	L507 L508 M540 F541 K542 K548 N574 L576 W581	L507-M544 HydrophobicContact CB-CG 4.2Å; L507-M544 HydrophobicContact CB-SD 4.18Å; L507-M544 HydrophobicContact CD1-CG 4.08Å; L507-M544 HydrophobicContact CD2-CG 4.47Å; L507-M544 HydrophobicContact CG-CG 4.49Å; L508-M544 HydrophobicContact CD2-CE 4.02Å; L508-M544 HydrophobicContact CD2-SD 4.36Å; M540-M544 WeakPolarHBondContact O-CG 3.44Å; M540-M544 PolarHBondContact O-N 2.84Å; M540-M544 VanDerWaalsContact O-N 3.08Å; F541-M544 PolarHBondContact O-N 2.81Å; K542-M544 VanDerWaalsContact C-N 3.32Å; K542-M544 PolarHBondContact O-N 3.26Å; M544-K548 WeakPolarHBondContact O-CG 3.47Å; M544-K548 PolarHBondContact O-N 2.76Å; M544-N574 HydrophobicContact CE-CB 3.82Å; M544-L576 HydrophobicContact CE-CD2 3.38Å; M544-W581 HydrophobicContact CE-CH2 3.73Å; M544-W581 HydrophobicContact CE-CZ2 3.75Å; M544-W581 HydrophobicContact CG-CH2 4.07Å; M544-W581 HydrophobicContact CG-CZ2 4.18Å; M544-W581 HydrophobicContact SD-CH2 4.02Å; M544-W581 HydrophobicContact SD-CZ2 4.45Å
545	H	92.1	Very high	93.5	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.556	26%	0.255	S	S	*	.	H	α-helix	trans	-72	-52.1	175	-168.4	70.3	0	0	0	111.1	F541 K542 D543 S547 K548 E549	F541-H545 PolarHBondContact O-N 3.02Å; F541-H545 VanDerWaalsContact O-N 3.12Å; K542-H545 PolarHBondContact O-N 3.21Å; K542-H545 VanDerWaalsContact O-N 3.13Å; D543-H545 VanDerWaalsContact C-N 3.34Å; D543-H545 PolarHBondContact O-N 3.33Å; H545-S547 PolarHBondContact O-N 3.46Å; H545-K548 WeakPolarHBondContact O-CB 3.43Å; H545-K548 PolarHBondContact O-N 2.67Å; H545-E549 IonicContact NE2-OE1 2.61Å; H545-E549 PolarHBondContact O-N 3.16Å
546	L	94.4	Very high	93.3	Very high	70 Å²	70	54 Å²	54	37%	0.366	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-36.2	177.1	-67.3	171.9	0	0	0	112.1	K542 K548 E549 L550	K542-L546 HydrophobicContact CG-CD1 4Å; K542-L546 HydrophobicContact CG-CG 4.43Å; K542-L546 WeakPolarHBondContact O-CG 3.43Å; K542-L546 PolarHBondContact O-N 2.97Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 3.24Å; L546-E549 PolarHBondContact O-N 2.97Å; L546-L550 WeakPolarHBondContact O-CB 3.38Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.4Å
547	S	94.8	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-37.5	174.4	-68.6	0	0	0	0	112.7	D543 H545 L550 N551 V575	D543-S547 WeakPolarHBondContact O-CB 3.48Å; D543-S547 PolarHBondContact O-N 3.26Å; D543-S547 PolarHBondContact O-OG 3.25Å; H545-S547 PolarHBondContact O-N 3.46Å; S547-L550 PolarHBondContact O-N 2.85Å; S547-N551 WeakPolarHBondContact O-CB 3.24Å; S547-N551 PolarHBondContact O-N 3.09Å; S547-N551 PolarHBondContact O-ND2 2.54Å; S547-V575 PolarHBondContact OG-N 2.93Å; S547-V575 PolarHBondContact OG-O 3.13Å
548	K	92.4	Very high	92.8	Very high	140 Å²	140	55.4 Å²	55.4	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-67.2	-40.1	177.1	-70.4	173	-179.6	-178	0	111.7	M544 H545 L546 S552	M544-K548 WeakPolarHBondContact O-CG 3.47Å; M544-K548 PolarHBondContact O-N 2.76Å; H545-K548 WeakPolarHBondContact O-CB 3.43Å; H545-K548 PolarHBondContact O-N 2.67Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 3.24Å; K548-S552 PolarHBondContact O-N 3.5Å; K548-S552 VanDerWaalsContact O-N 3.08Å; K548-S552 PolarHBondContact O-OG 3.41Å
549	E	94.2	Very high	92.2	Very high	100 Å²	100	60 Å²	60	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-40.7	174.8	-60.1	-177.4	144.7	0	0	112	H545 L546 S552 S553	H545-E549 IonicContact NE2-OE1 2.61Å; H545-E549 PolarHBondContact O-N 3.16Å; L546-E549 PolarHBondContact O-N 2.97Å; E549-S552 PolarHBondContact O-N 3.13Å; E549-S553 WeakPolarHBondContact O-CB 3.44Å; E549-S553 PolarHBondContact O-N 3.18Å; E549-S553 PolarHBondContact O-OG 2.98Å
550	L	94.6	Very high	91.5	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175.1	-79.8	167.3	0	0	0	112.1	L546 S547 S552 S553 F554 V575 F605 Y606 K609	L546-L550 WeakPolarHBondContact O-CB 3.38Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.4Å; S547-L550 PolarHBondContact O-N 2.85Å; L550-S552 VanDerWaalsContact C-N 3.34Å; L550-S552 PolarHBondContact O-N 3.22Å; L550-S553 WeakPolarHBondContact O-CB 3.13Å; L550-S553 PolarHBondContact O-N 2.91Å; L550-F554 WeakPolarHBondContact O-CB 3.29Å; L550-F554 PolarHBondContact O-N 3.45Å; L550-V575 HydrophobicContact CD1-CB 4.13Å; L550-V575 HydrophobicContact CD1-CG2 4.04Å; L550-F605 HydrophobicContact CD2-CE1 4.44Å; L550-Y606 HydrophobicContact CD1-CE2 4.32Å; L550-K609 HydrophobicContact CD2-CD 4.37Å
551	N	93.9	Very high	90.5	Very high	11 Å²	11	65.2 Å²	65.2	6%	0.059	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-41.4	175.7	-79.1	-62.9	0	0	0	112.2	S547 F554 K555 S572 V573	S547-N551 WeakPolarHBondContact O-CB 3.24Å; S547-N551 PolarHBondContact O-N 3.09Å; S547-N551 PolarHBondContact O-ND2 2.54Å; N551-F554 PolarHBondContact O-N 3.03Å; N551-K555 WeakPolarHBondContact O-CG 3.42Å; N551-K555 PolarHBondContact O-N 3.23Å; N551-S572 WeakPolarHBondContact OD1-CA 3.34Å; N551-V573 PolarHBondContact ND2-O 2.84Å; N551-V573 PolarHBondContact OD1-N 3.47Å; N551-V573 PolarHBondContact OD1-O 3.13Å
552	S	93.2	Very high	88.7	Confident	70 Å²	70	74.3 Å²	74.3	49%	0.49	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.2	-55.4	0	0	0	0	111.2	K548 E549 L550 K555 Q556	K548-S552 PolarHBondContact O-N 3.5Å; K548-S552 VanDerWaalsContact O-N 3.08Å; K548-S552 PolarHBondContact O-OG 3.41Å; E549-S552 PolarHBondContact O-N 3.13Å; L550-S552 VanDerWaalsContact C-N 3.34Å; L550-S552 PolarHBondContact O-N 3.22Å; S552-K555 PolarHBondContact O-N 3.23Å; S552-Q556 WeakPolarHBondContact O-CG 3.35Å; S552-Q556 PolarHBondContact O-N 3.42Å
553	S	93	Very high	87	Confident	31 Å²	31	76.9 Å²	76.9	22%	0.217	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-42.7	173.5	-57.7	0	0	0	0	112.3	E549 L550 Q556 W557 K609	E549-S553 WeakPolarHBondContact O-CB 3.44Å; E549-S553 PolarHBondContact O-N 3.18Å; E549-S553 PolarHBondContact O-OG 2.98Å; L550-S553 WeakPolarHBondContact O-CB 3.13Å; L550-S553 PolarHBondContact O-N 2.91Å; S553-Q556 PolarHBondContact O-N 2.97Å; S553-W557 WeakPolarHBondContact O-CB 3.39Å; S553-W557 PolarHBondContact O-N 2.84Å; S553-K609 PolarHBondContact OG-NZ 3.08Å; S553-K609 VanDerWaalsContact OG-NZ 3.08Å
554	F	92.2	Very high	85	Confident	1 Å²	1	86.2 Å²	86.2	0%	0.004	41%	0.411	C	S	.	.	H	α-helix	trans	-67.3	-41.3	-178.8	-179.6	-126.1	0	0	0	112	L550 N551 Q556 W557 L558 M571 F602 F605	L550-F554 WeakPolarHBondContact O-CB 3.29Å; L550-F554 PolarHBondContact O-N 3.45Å; N551-F554 PolarHBondContact O-N 3.03Å; F554-Q556 VanDerWaalsContact C-N 3.33Å; F554-Q556 PolarHBondContact O-N 3.07Å; F554-W557 HydrophobicContact CD2-CE3 4.04Å; F554-W557 AromaticContact CE2-CE3 3.9Å; F554-W557 HydrophobicContact CE2-CE3 3.9Å; F554-W557 AromaticContact CE2-CZ3 3.98Å; F554-W557 HydrophobicContact CE2-CZ3 3.98Å; F554-W557 PolarHBondContact O-N 3.44Å; F554-L558 HydrophobicContact CD1-CD1 3.87Å; F554-L558 HydrophobicContact CD2-CD1 4.34Å; F554-L558 HydrophobicContact CE1-CD1 3.49Å; F554-L558 VanDerWaalsContact CE1-CD1 3.49Å; F554-L558 HydrophobicContact CE1-CG 4.49Å; F554-L558 HydrophobicContact CE2-CD1 4.01Å; F554-L558 HydrophobicContact CE2-CG 4.18Å; F554-L558 HydrophobicContact CG-CD1 4.3Å; F554-L558 HydrophobicContact CZ-CD1 3.58Å; F554-L558 HydrophobicContact CZ-CG 4.15Å; F554-L558 WeakPolarHBondContact O-CB 3.38Å; F554-L558 PolarHBondContact O-N 3.37Å; F554-M571 HydrophobicContact CE1-SD 4.12Å; F554-F602 HydrophobicContact CB-CD2 4.5Å; F554-F602 HydrophobicContact CB-CE2 4.39Å; F554-F602 AromaticContact CD1-CD2 3.72Å; F554-F602 HydrophobicContact CD1-CD2 3.72Å; F554-F602 HydrophobicContact CD1-CE2 4.26Å; F554-F602 AromaticContact CD2-CD2 3.95Å; F554-F602 HydrophobicContact CD2-CD2 3.95Å; F554-F602 HydrophobicContact CE1-CB 4.32Å; F554-F602 AromaticContact CE1-CD2 3.77Å; F554-F602 HydrophobicContact CE1-CD2 3.77Å; F554-F602 HydrophobicContact CE2-CB 4.16Å; F554-F602 HydrophobicContact CE2-CD2 4Å; F554-F602 AromaticContact CG-CD2 3.8Å; F554-F602 HydrophobicContact CG-CD2 3.8Å; F554-F602 HydrophobicContact CG-CE2 4.17Å; F554-F602 HydrophobicContact CZ-CB 3.83Å; F554-F602 AromaticContact CZ-CD2 3.9Å; F554-F602 HydrophobicContact CZ-CD2 3.9Å; F554-F602 HydrophobicContact CZ-CG 4.39Å; F554-F605 HydrophobicContact CB-CD1 3.99Å; F554-F605 HydrophobicContact CB-CE1 3.72Å; F554-F605 HydrophobicContact CB-CZ 4.02Å; F554-F605 HydrophobicContact CD2-CB 3.81Å; F554-F605 AromaticContact CD2-CD1 3.53Å; F554-F605 HydrophobicContact CD2-CD1 3.53Å; F554-F605 HydrophobicContact CD2-CD2 4.18Å; F554-F605 HydrophobicContact CD2-CE1 4.16Å; F554-F605 AromaticContact CD2-CG 3.55Å; F554-F605 HydrophobicContact CD2-CG 3.55Å; F554-F605 HydrophobicContact CE2-CB 3.98Å; F554-F605 HydrophobicContact CE2-CD1 4.36Å; F554-F605 HydrophobicContact CE2-CG 4.24Å; F554-F605 HydrophobicContact CG-CD1 4.09Å; F554-F605 HydrophobicContact CG-CE1 4.32Å; F554-F605 HydrophobicContact CG-CG 4.46Å
555	K	89.5	Confident	83.2	Confident	78 Å²	78	89.8 Å²	89.8	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-38.4	175.5	-69.7	-168.9	-174.3	-158.8	0	111.9	N551 S552 Q559 D570	N551-K555 WeakPolarHBondContact O-CG 3.42Å; N551-K555 PolarHBondContact O-N 3.23Å; S552-K555 PolarHBondContact O-N 3.23Å; K555-Q559 VanDerWaalsContact O-CG 3.3Å; K555-Q559 WeakPolarHBondContact O-CG 3.33Å; K555-Q559 PolarHBondContact O-N 3.07Å; K555-Q559 VanDerWaalsContact O-N 3.15Å; K555-D570 WeakPolarHBondContact CE-OD1 3.44Å; K555-D570 IonicContact NZ-OD1 2.7Å; K555-D570 PolarHBondContact NZ-OD1 3.21Å; K555-D570 IonicContact NZ-OD2 3.86Å; K555-D570 PolarHBondContact NZ-OD2 3.26Å
556	Q	89	Confident	81.4	Confident	130 Å²	130	95.3 Å²	95.3	61%	0.607	45%	0.447	S	S	*	.	H	α-helix	trans	-66	-43.8	172.5	-68.7	172.9	-0.1	0	0	112.2	S552 S553 F554 L558 Q559 S560	S552-Q556 WeakPolarHBondContact O-CG 3.35Å; S552-Q556 PolarHBondContact O-N 3.42Å; S553-Q556 PolarHBondContact O-N 2.97Å; F554-Q556 VanDerWaalsContact C-N 3.33Å; F554-Q556 PolarHBondContact O-N 3.07Å; Q556-L558 PolarHBondContact O-N 3.49Å; Q556-Q559 PolarHBondContact O-N 2.8Å; Q556-S560 PolarHBondContact O-N 3.31Å
557	W	90	Very high	79.6	Confident	69 Å²	69	96 Å²	96	26%	0.261	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-42.3	177.1	179.7	91.5	0	0	0	112.3	S553 F554 Q559 S560 S561 R601 F605	S553-W557 WeakPolarHBondContact O-CB 3.39Å; S553-W557 PolarHBondContact O-N 2.84Å; F554-W557 HydrophobicContact CD2-CE3 4.04Å; F554-W557 AromaticContact CE2-CE3 3.9Å; F554-W557 HydrophobicContact CE2-CE3 3.9Å; F554-W557 AromaticContact CE2-CZ3 3.98Å; F554-W557 HydrophobicContact CE2-CZ3 3.98Å; F554-W557 PolarHBondContact O-N 3.44Å; W557-Q559 PolarHBondContact O-N 3.43Å; W557-S560 PolarHBondContact O-N 3.23Å; W557-S560 PolarHBondContact O-OG 3.11Å; W557-S561 PolarHBondContact O-N 3.24Å; W557-S561 VanDerWaalsContact O-N 3.16Å; W557-S561 PolarHBondContact O-OG 3.14Å; W557-S561 VanDerWaalsContact O-OG 3.08Å; W557-R601 HydrophobicContact CZ3-CB 4.44Å; W557-F605 HydrophobicContact CB-CD2 3.78Å; W557-F605 HydrophobicContact CB-CE2 3.99Å; W557-F605 AromaticContact CD1-CD2 3.89Å; W557-F605 HydrophobicContact CD2-CB 4.07Å; W557-F605 AromaticContact CD2-CD2 3.91Å; W557-F605 HydrophobicContact CD2-CD2 3.91Å; W557-F605 HydrophobicContact CD2-CG 4.38Å; W557-F605 HydrophobicContact CE3-CB 4.08Å; W557-F605 HydrophobicContact CE3-CD2 4.46Å; W557-F605 AromaticContact CG-CD2 3.59Å; W557-F605 HydrophobicContact CG-CD2 3.59Å; W557-F605 HydrophobicContact CG-CE2 4.24Å; W557-F605 HydrophobicContact CG-CG 4.48Å; W557-F605 HydrophobicContact CH2-CB 4.38Å; W557-F605 HydrophobicContact CZ2-CB 4.36Å; W557-F605 HydrophobicContact CZ3-CB 4.24Å
558	L	85.1	Confident	78.6	Confident	44 Å²	44	100.1 Å²	100.1	23%	0.23	49%	0.491	C	S	.	.	H	α-helix	trans	-58.1	-45.3	172.5	-92.2	159.8	0	0	0	112.1	F554 Q556 S560 S561	F554-L558 HydrophobicContact CD1-CD1 3.87Å; F554-L558 HydrophobicContact CD2-CD1 4.34Å; F554-L558 HydrophobicContact CE1-CD1 3.49Å; F554-L558 VanDerWaalsContact CE1-CD1 3.49Å; F554-L558 HydrophobicContact CE1-CG 4.49Å; F554-L558 HydrophobicContact CE2-CD1 4.01Å; F554-L558 HydrophobicContact CE2-CG 4.18Å; F554-L558 HydrophobicContact CG-CD1 4.3Å; F554-L558 HydrophobicContact CZ-CD1 3.58Å; F554-L558 HydrophobicContact CZ-CG 4.15Å; F554-L558 WeakPolarHBondContact O-CB 3.38Å; F554-L558 PolarHBondContact O-N 3.37Å; Q556-L558 PolarHBondContact O-N 3.49Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 3.24Å; L558-S561 PolarHBondContact O-N 3.11Å
559	Q	82.7	Confident	78.3	Confident	161 Å²	161	96.2 Å²	96.2	75%	0.752	48%	0.476	S	S	*	.	H	α-helix	trans	-65.2	-34.8	177.5	-71.4	169.1	-0.5	0	0	112.9	K555 Q556 W557 S561	K555-Q559 VanDerWaalsContact O-CG 3.3Å; K555-Q559 WeakPolarHBondContact O-CG 3.33Å; K555-Q559 PolarHBondContact O-N 3.07Å; K555-Q559 VanDerWaalsContact O-N 3.15Å; Q556-Q559 PolarHBondContact O-N 2.8Å; W557-Q559 PolarHBondContact O-N 3.43Å; Q559-S561 VanDerWaalsContact C-N 3.31Å
560	S	80.5	Confident	78.1	Confident	84 Å²	84	97.7 Å²	97.7	59%	0.587	49%	0.488	S	S	*	.	H	α-helix	trans	-73	-22.4	177.9	75	0	0	0	0	113.8	Q556 W557 L558 K562	Q556-S560 PolarHBondContact O-N 3.31Å; W557-S560 PolarHBondContact O-N 3.23Å; W557-S560 PolarHBondContact O-OG 3.11Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 3.24Å; S560-K562 PolarHBondContact O-N 3.42Å
561	S	73	Confident	77.9	Confident	48 Å²	48	98.3 Å²	98.3	34%	0.336	49%	0.49	S	S	.	.	S	Bend	trans	-76.1	107.3	-179.3	-68.4	0	0	0	0	110.7	W557 L558 Q559 R563	W557-S561 PolarHBondContact O-N 3.24Å; W557-S561 VanDerWaalsContact O-N 3.16Å; W557-S561 PolarHBondContact O-OG 3.14Å; W557-S561 VanDerWaalsContact O-OG 3.08Å; L558-S561 PolarHBondContact O-N 3.11Å; Q559-S561 VanDerWaalsContact C-N 3.31Å; S561-R563 PolarHBondContact O-N 2.91Å
562	K	55.6	Low	77.8	Confident	213 Å²	213	101.8 Å²	101.8	93%	0.926	52%	0.516	S	S	*	.			trans	-58.3	11.4	-173.5	-72.6	-175.5	175.2	177.9	0	117.8	S560 K564	S560-K562 PolarHBondContact O-N 3.42Å; K562-K564 PolarHBondContact O-N 3.15Å
563	R	57.8	Low	77.8	Confident	196 Å²	196	99.1 Å²	99.1	74%	0.74	50%	0.497	S	S	*	.			trans	-79.7	113.5	174.8	-74.8	-172	174.1	179.9	-2.2	110.3	S561 D565	S561-R563 PolarHBondContact O-N 2.91Å; R563-D565 PolarHBondContact O-N 3.03Å
564	K	53.2	Low	77.9	Confident	208 Å²	208	101 Å²	101	90%	0.904	50%	0.504	S	S	*	.			trans	-67.4	19.4	177	-81.9	-174.7	173.1	-179.9	0	115	K562 R566	K562-K564 PolarHBondContact O-N 3.15Å; K564-R566 PolarHBondContact O-N 3.48Å; K564-R566 VanDerWaalsContact O-N 3.17Å
565	D	55.1	Low	78	Confident	95 Å²	95	101.9 Å²	101.9	51%	0.508	51%	0.51	S	S	.	.			trans	-64.5	118.6	172.1	-61.3	-23.8	0	0	0	107.7	R563 A567 R601	R563-D565 PolarHBondContact O-N 3.03Å; D565-A567 PolarHBondContact O-N 2.76Å; D565-R601 IonicContact OD2-NH2 2.73Å; D565-R601 PolarHBondContact OD2-NH2 2.66Å
566	R	54.9	Low	78.2	Confident	235 Å²	235	100.4 Å²	100.4	89%	0.887	51%	0.505	S	S	*	.			trans	-56.9	118	172.6	-75.6	-179.9	172.4	176.4	-2.5	107.9	K564 S568	K564-R566 PolarHBondContact O-N 3.48Å; K564-R566 VanDerWaalsContact O-N 3.17Å; R566-S568 PolarHBondContact O-N 2.82Å
567	A	55.8	Low	78.5	Confident	85 Å²	85	97.5 Å²	97.5	70%	0.702	50%	0.497	S	S	*	.			trans	-61.5	99.8	177.6	0	0	0	0	0	109.7	D565 Y598	D565-A567 PolarHBondContact O-N 2.76Å; A567-Y598 WeakPolarHBondContact CA-OH 3.41Å
568	S	75.2	Confident	78.5	Confident	86 Å²	86	100.7 Å²	100.7	60%	0.601	52%	0.524	S	S	*	.			trans	-81.6	-19.3	-176.3	51.7	0	0	0	0	113.9	R566 Y598	R566-S568 PolarHBondContact O-N 2.82Å; S568-Y598 PolarHBondContact N-OH 3.36Å
569	I	86	Confident	78.6	Confident	58 Å²	58	101.6 Å²	101.6	30%	0.297	54%	0.543	S	S	.	.			trans	-129.9	125.4	-174.1	-56.5	176.3	0	0	0	109	M571 D594 M595 Y598	I569-M571 PolarHBondContact O-N 2.9Å; I569-D594 HydrophobicContact CD1-CB 3.99Å; I569-M595 HydrophobicContact CD1-CG 4.14Å; I569-Y598 HydrophobicContact CB-CD2 4.4Å; I569-Y598 HydrophobicContact CB-CE1 4.32Å; I569-Y598 HydrophobicContact CB-CE2 4Å; I569-Y598 HydrophobicContact CD1-CD2 4.26Å; I569-Y598 HydrophobicContact CD1-CE2 4.29Å; I569-Y598 HydrophobicContact CG1-CE2 4.29Å; I569-Y598 PolarHBondContact N-OH 3.37Å; I569-Y598 VanDerWaalsContact O-CE1 3.26Å; I569-Y598 WeakPolarHBondContact O-CE1 3.49Å; I569-Y598 PolarHBondContact O-OH 2.96Å
570	D	89	Confident	79.1	Confident	131 Å²	131	94.8 Å²	94.8	70%	0.701	51%	0.514	S	S	*	.			trans	-83.5	101.7	167.4	-171.7	28.1	0	0	0	109.5	K555	K555-D570 WeakPolarHBondContact CE-OD1 3.44Å; K555-D570 IonicContact NZ-OD1 2.7Å; K555-D570 PolarHBondContact NZ-OD1 3.21Å; K555-D570 IonicContact NZ-OD2 3.86Å; K555-D570 PolarHBondContact NZ-OD2 3.26Å
571	M	90.6	Very high	79.7	Confident	30 Å²	30	91.4 Å²	91.4	15%	0.148	49%	0.488	C	S	.	.			trans	-94.8	133.8	-178.8	-165.7	-166.3	-158.2	0	0	111	F554 I569 V573 Y598 V599 F602 W617	F554-M571 HydrophobicContact CE1-SD 4.12Å; I569-M571 PolarHBondContact O-N 2.9Å; M571-V573 HydrophobicContact CE-CG2 3.73Å; M571-V573 HydrophobicContact CG-CG2 3.98Å; M571-V573 HydrophobicContact SD-CG2 3.81Å; M571-Y598 HydrophobicContact CB-CD1 4Å; M571-Y598 HydrophobicContact SD-CD1 4.3Å; M571-V599 HydrophobicContact CE-CG2 4.1Å; M571-F602 HydrophobicContact SD-CB 4.33Å; M571-W617 HydrophobicContact CE-CH2 3.57Å; M571-W617 HydrophobicContact CE-CZ3 3.94Å
572	S	91.8	Very high	80.4	Confident	85 Å²	85	90.1 Å²	90.1	59%	0.594	48%	0.479	S	S	*	.			trans	-131.4	126.8	169.4	-172.7	0	0	0	0	109.1	N551	N551-S572 WeakPolarHBondContact OD1-CA 3.34Å
573	V	94	Very high	81.8	Confident	14 Å²	14	84.2 Å²	84.2	9%	0.085	46%	0.464	C	S	.	.			trans	-119.9	124.1	-173	-174.1	0	0	0	0	110.1	N551 M571 V575 F602 W617	N551-V573 PolarHBondContact ND2-O 2.84Å; N551-V573 PolarHBondContact OD1-N 3.47Å; N551-V573 PolarHBondContact OD1-O 3.13Å; M571-V573 HydrophobicContact CE-CG2 3.73Å; M571-V573 HydrophobicContact CG-CG2 3.98Å; M571-V573 HydrophobicContact SD-CG2 3.81Å; V573-V575 HydrophobicContact CG1-CG2 4.41Å; V573-F602 HydrophobicContact CB-CD1 4.47Å; V573-F602 HydrophobicContact CB-CD2 4.18Å; V573-F602 HydrophobicContact CB-CE1 4.09Å; V573-F602 HydrophobicContact CB-CE2 3.77Å; V573-F602 HydrophobicContact CB-CZ 3.72Å; V573-F602 HydrophobicContact CG1-CD1 4.12Å; V573-F602 HydrophobicContact CG1-CE1 3.64Å; V573-F602 HydrophobicContact CG1-CE2 4.26Å; V573-F602 HydrophobicContact CG1-CZ 3.72Å; V573-F602 HydrophobicContact CG2-CD1 4.26Å; V573-F602 HydrophobicContact CG2-CD2 3.77Å; V573-F602 HydrophobicContact CG2-CE1 4.38Å; V573-F602 HydrophobicContact CG2-CE2 3.9Å; V573-F602 HydrophobicContact CG2-CG 3.97Å; V573-F602 HydrophobicContact CG2-CZ 4.21Å; V573-W617 HydrophobicContact CG1-CH2 3.91Å; V573-W617 HydrophobicContact CG1-CZ3 3.9Å; V573-W617 HydrophobicContact CG2-CH2 3.94Å; V573-W617 HydrophobicContact CG2-CZ3 4.2Å
574	N	94.1	Very high	83	Confident	69 Å²	69	77.4 Å²	77.4	37%	0.369	44%	0.439	S	S	.	.			trans	-93.2	120.9	170.4	-66.8	-37.3	0	0	0	109.1	L508 M544 L576	L508-N574 HydrophobicContact CD2-CB 4.3Å; M544-N574 HydrophobicContact CE-CB 3.82Å; N574-L576 HydrophobicContact CB-CD2 3.94Å
575	V	94.8	Very high	84.2	Confident	21 Å²	21	71.9 Å²	71.9	13%	0.127	42%	0.424	C	S	.	.			trans	-97.1	118	178.2	-178.4	0	0	0	0	107.8	S547 L550 V573 F602 Y606 L615	S547-V575 PolarHBondContact OG-N 2.93Å; S547-V575 PolarHBondContact OG-O 3.13Å; L550-V575 HydrophobicContact CD1-CB 4.13Å; L550-V575 HydrophobicContact CD1-CG2 4.04Å; V573-V575 HydrophobicContact CG1-CG2 4.41Å; V575-F602 HydrophobicContact CG2-CE1 4.12Å; V575-F602 HydrophobicContact CG2-CZ 3.89Å; V575-Y606 HydrophobicContact CG1-CE2 3.89Å; V575-Y606 HydrophobicContact CG2-CD2 4.4Å; V575-Y606 HydrophobicContact CG2-CE2 4.16Å; V575-L615 HydrophobicContact CG1-CD2 4.26Å
576	L	94.8	Very high	85.2	Confident	46 Å²	46	72 Å²	72	24%	0.241	43%	0.433	C	S	.	.			trans	-115.2	139.4	-168.9	-46.3	-176.6	0	0	0	110.5	L508 M544 N574 T578 W581 I621	L508-L576 HydrophobicContact CD1-CD1 4.42Å; L508-L576 HydrophobicContact CD2-CD1 4.2Å; L508-L576 HydrophobicContact CD2-CD2 4.2Å; M544-L576 HydrophobicContact CE-CD2 3.38Å; N574-L576 HydrophobicContact CB-CD2 3.94Å; L576-T578 PolarHBondContact O-N 3.36Å; L576-W581 HydrophobicContact CB-CD2 4.23Å; L576-W581 HydrophobicContact CB-CG 4.05Å; L576-W581 HydrophobicContact CD1-CD2 3.99Å; L576-W581 HydrophobicContact CD1-CE3 4.05Å; L576-W581 HydrophobicContact CD1-CG 4.36Å; L576-W581 HydrophobicContact CD1-CZ3 4.49Å; L576-W581 HydrophobicContact CD2-CD2 4.24Å; L576-W581 HydrophobicContact CD2-CH2 4.15Å; L576-W581 HydrophobicContact CD2-CZ2 3.74Å; L576-W581 HydrophobicContact CG-CD2 4.38Å; L576-I621 HydrophobicContact CD1-CD1 4.23Å
577	T	94.3	Very high	86.2	Confident	70 Å²	70	62.6 Å²	62.6	43%	0.429	40%	0.403	S	S	.	.			trans	-80.6	109.9	176.2	-61.7	0	0	0	0	110.1	D543 G579 S580 W581	D543-T577 PolarHBondContact OD1-OG1 3.21Å; D543-T577 VanDerWaalsContact OD2-CB 3.25Å; D543-T577 WeakPolarHBondContact OD2-CB 3.39Å; D543-T577 PolarHBondContact OD2-N 2.93Å; D543-T577 PolarHBondContact OD2-OG1 2.64Å; T577-G579 VanDerWaalsContact C-N 3.25Å; T577-G579 PolarHBondContact O-N 2.88Å; T577-S580 PolarHBondContact O-N 3.05Å; T577-W581 PolarHBondContact O-N 3.32Å
578	T	90.1	Very high	87.5	Confident	135 Å²	135	64.4 Å²	64.4	83%	0.828	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.1	-169.8	-43.2	0	0	0	0	115	L576 S580	L576-T578 PolarHBondContact O-N 3.36Å; T578-S580 VanDerWaalsContact C-N 3.33Å; T578-S580 PolarHBondContact O-N 3.1Å
579	G	87.8	Confident	88.3	Confident	63 Å²	63	61.3 Å²	61.3	65%	0.649	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.9	179.4	0	0	0	0	0	115.7	T577	T577-G579 VanDerWaalsContact C-N 3.25Å; T577-G579 PolarHBondContact O-N 2.88Å
580	S	91.9	Very high	88.7	Confident	18 Å²	18	62.2 Å²	62.2	13%	0.126	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-11.7	-177	-55.8	0	0	0	0	113.6	Q500 A539 M540 T577 T578	Q500-S580 PolarHBondContact NE2-O 2.93Å; A539-S580 WeakPolarHBondContact CB-OG 3.36Å; M540-S580 VanDerWaalsContact CG-O 3.27Å; M540-S580 WeakPolarHBondContact CG-O 3.3Å; T577-S580 PolarHBondContact O-N 3.05Å; T578-S580 VanDerWaalsContact C-N 3.33Å; T578-S580 PolarHBondContact O-N 3.1Å
581	W	93	Very high	88.9	Confident	13 Å²	13	56.9 Å²	56.9	5%	0.049	36%	0.362	C	S	.	.	S	Bend	trans	-110.7	161.4	179.5	-70.1	75.6	0	0	0	110.8	A504 L507 L508 M540 D543 M544 L576 T577	A504-W581 HydrophobicContact CB-CE3 3.79Å; A504-W581 HydrophobicContact CB-CZ3 3.81Å; L507-W581 HydrophobicContact CB-CH2 4.31Å; L507-W581 HydrophobicContact CD1-CH2 4.06Å; L508-W581 HydrophobicContact CD1-CE3 4.22Å; L508-W581 HydrophobicContact CD1-CZ3 3.8Å; L508-W581 HydrophobicContact CD2-CH2 4.21Å; L508-W581 HydrophobicContact CD2-CZ3 4.04Å; L508-W581 HydrophobicContact CG-CH2 4.24Å; L508-W581 HydrophobicContact CG-CZ3 3.71Å; M540-W581 HydrophobicContact CB-CD2 4.48Å; M540-W581 HydrophobicContact CB-CH2 4.17Å; M540-W581 HydrophobicContact CB-CZ2 3.64Å; M540-W581 HydrophobicContact CE-CD2 4.27Å; M540-W581 HydrophobicContact CE-CE3 3.87Å; M540-W581 HydrophobicContact CE-CH2 4.18Å; M540-W581 HydrophobicContact CE-CZ3 3.82Å; M540-W581 HydrophobicContact CG-CD2 3.86Å; M540-W581 HydrophobicContact CG-CE3 4.4Å; M540-W581 HydrophobicContact CG-CG 4.16Å; M540-W581 HydrophobicContact CG-CH2 4.48Å; M540-W581 HydrophobicContact CG-CZ2 3.95Å; M540-W581 WeakPolarHBondContact O-CZ2 3.39Å; D543-W581 HydrophobicContact CB-CZ2 4.24Å; D543-W581 PolarHBondContact OD2-NE1 3.47Å; M544-W581 HydrophobicContact CE-CH2 3.73Å; M544-W581 HydrophobicContact CE-CZ2 3.75Å; M544-W581 HydrophobicContact CG-CH2 4.07Å; M544-W581 HydrophobicContact CG-CZ2 4.18Å; M544-W581 HydrophobicContact SD-CH2 4.02Å; M544-W581 HydrophobicContact SD-CZ2 4.45Å; L576-W581 HydrophobicContact CB-CD2 4.23Å; L576-W581 HydrophobicContact CB-CG 4.05Å; L576-W581 HydrophobicContact CD1-CD2 3.99Å; L576-W581 HydrophobicContact CD1-CE3 4.05Å; L576-W581 HydrophobicContact CD1-CG 4.36Å; L576-W581 HydrophobicContact CD1-CZ3 4.49Å; L576-W581 HydrophobicContact CD2-CD2 4.24Å; L576-W581 HydrophobicContact CD2-CH2 4.15Å; L576-W581 HydrophobicContact CD2-CZ2 3.74Å; L576-W581 HydrophobicContact CG-CD2 4.38Å; T577-W581 PolarHBondContact O-N 3.32Å
582	P	88.9	Confident	88.9	Confident	21 Å²	21	57.3 Å²	57.3	14%	0.136	37%	0.368	C	S	.	.			trans	-56.8	147.8	169.6	-22.2	33.5	0	0	0	111.3	Q500 K501 A504 Y584	Q500-P582 HydrophobicContact CG-CG 4.29Å; K501-P582 HydrophobicContact CB-CG 4.48Å; A504-P582 HydrophobicContact CB-CG 3.87Å; P582-Y584 WeakPolarHBondContact O-CD2 3.27Å; P582-Y584 VanDerWaalsContact O-CE2 3.22Å; P582-Y584 WeakPolarHBondContact O-CE2 3.39Å
583	S	84.4	Confident	88.8	Confident	90 Å²	90	57.2 Å²	57.2	63%	0.629	37%	0.372	S	S	*	.			trans	-68.3	136	172	-168.2	0	0	0	0	110.3
584	Y	83.2	Confident	88.6	Confident	52 Å²	52	61.6 Å²	61.6	20%	0.204	40%	0.395	C	S	.	.			trans	-119.7	137.5	175.5	-62.6	-73.8	0	0	0	109.2	P582 S586 I621	P582-Y584 WeakPolarHBondContact O-CD2 3.27Å; P582-Y584 VanDerWaalsContact O-CE2 3.22Å; P582-Y584 WeakPolarHBondContact O-CE2 3.39Å; Y584-S586 PolarHBondContact O-N 3.4Å; Y584-I621 HydrophobicContact CD1-CG2 3.65Å; Y584-I621 HydrophobicContact CD2-CD1 4.37Å; Y584-I621 HydrophobicContact CE1-CG2 3.46Å; Y584-I621 VanDerWaalsContact CE1-CG2 3.46Å; Y584-I621 HydrophobicContact CE2-CD1 4.24Å; Y584-I621 HydrophobicContact CG-CG2 4.3Å
585	P	77.4	Confident	88.5	Confident	92 Å²	92	60.2 Å²	60.2	60%	0.597	39%	0.387	S	S	*	.			trans	-64.8	126.7	179.2	26.7	-33.6	0	0	0	110.2	S587 Q618	P585-S587 PolarHBondContact O-N 3.23Å; P585-Q618 PolarHBondContact O-OE1 3.46Å
586	S	76.4	Confident	88.4	Confident	99 Å²	99	62.4 Å²	62.4	69%	0.692	40%	0.396	S	S	*	.			trans	-71.8	112.3	175.2	50.9	0	0	0	0	110.4	Y584	Y584-S586 PolarHBondContact O-N 3.4Å
587	S	76.4	Confident	88.2	Confident	36 Å²	36	61.7 Å²	61.7	25%	0.252	40%	0.395	S	S	.	.			trans	-107.6	126.2	178	-52.1	0	0	0	0	111.4	P585 Y643	P585-S587 PolarHBondContact O-N 3.23Å; S587-Y643 WeakPolarHBondContact CB-OH 3.45Å; S587-Y643 PolarHBondContact OG-OH 2.95Å
588	T	83.6	Confident	88.1	Confident	124 Å²	124	58.9 Å²	58.9	76%	0.761	38%	0.376	S	S	*	.			trans	-77.5	116.9	165.6	47.9	0	0	0	0	109	A667	T588-A667 VanDerWaalsContact O-O 3.04Å
589	V	91.9	Very high	88.2	Confident	21 Å²	21	52.8 Å²	52.8	13%	0.127	34%	0.339	C	S	.	.			trans	-131.5	146	175.8	-62.4	0	0	0	0	111.1	L591 Y619 Y643 I646 T666 I668	V589-L591 HydrophobicContact CG2-CD2 4.25Å; V589-L591 PolarHBondContact O-N 3.45Å; V589-Y619 HydrophobicContact CG2-CD2 3.42Å; V589-Y619 VanDerWaalsContact CG2-CD2 3.42Å; V589-Y619 HydrophobicContact CG2-CE2 3.82Å; V589-Y619 HydrophobicContact CG2-CG 3.84Å; V589-Y643 HydrophobicContact CG1-CD1 4.22Å; V589-Y643 HydrophobicContact CG1-CE1 3.73Å; V589-I646 HydrophobicContact CB-CD1 4.33Å; V589-I646 HydrophobicContact CG2-CD1 4.01Å; V589-T666 WeakPolarHBondContact CA-O 3.25Å; V589-I668 HydrophobicContact CG1-CG1 3.88Å
590	T	94.1	Very high	88.4	Confident	77 Å²	77	54.7 Å²	54.7	47%	0.472	33%	0.331	S	S	.	.			trans	-80.9	105.9	175.6	-53.4	0	0	0	0	109.2	S665 T666	T590-S665 WeakPolarHBondContact CB-O 3.28Å; T590-T666 PolarHBondContact N-O 2.9Å
591	L	92.5	Very high	88.3	Confident	18 Å²	18	57 Å²	57	9%	0.094	34%	0.337	C	S	.	.			trans	-79.2	145.5	175.1	-68.7	-176.3	0	0	0	111.8	V589 M595 Q596 V599 Y619 I646	V589-L591 HydrophobicContact CG2-CD2 4.25Å; V589-L591 PolarHBondContact O-N 3.45Å; L591-M595 HydrophobicContact CB-CB 4.41Å; L591-M595 HydrophobicContact CD2-CE 4.35Å; L591-Q596 HydrophobicContact CB-CB 4.23Å; L591-V599 HydrophobicContact CD1-CG2 3.9Å; L591-Y619 HydrophobicContact CD1-CE1 3.82Å; L591-Y619 HydrophobicContact CD2-CD1 4.41Å; L591-Y619 HydrophobicContact CD2-CE1 4.18Å; L591-Y619 HydrophobicContact CG-CE1 4.38Å; L591-I646 HydrophobicContact CD2-CD1 3.79Å; L591-I646 HydrophobicContact CD2-CG1 4.23Å
592	P	92.1	Very high	88.3	Confident	39 Å²	39	56.4 Å²	56.4	25%	0.253	34%	0.335	S	S	.	.			trans	-54.8	143.3	164	-23.9	33.6	0	0	0	111.6	D594 M595 Q596 L649	P592-D594 VanDerWaalsContact C-N 3.28Å; P592-D594 PolarHBondContact O-N 2.98Å; P592-D594 VanDerWaalsContact O-N 3.15Å; P592-M595 HydrophobicContact CB-CG 4.48Å; P592-M595 HydrophobicContact CG-SD 3.98Å; P592-M595 WeakPolarHBondContact O-CB 3.37Å; P592-M595 PolarHBondContact O-N 3.14Å; P592-Q596 PolarHBondContact O-N 2.97Å; P592-L649 HydrophobicContact CG-CD1 3.79Å
593	A	89.8	Confident	88.5	Confident	84 Å²	84	58.8 Å²	58.8	69%	0.694	34%	0.344	S	S	*	.	H	α-helix	trans	-53.4	-40.3	-172.9	0	0	0	0	0	113.8	Q596 S597	A593-Q596 PolarHBondContact O-N 3.47Å; A593-S597 PolarHBondContact O-N 2.84Å
594	D	88.6	Confident	88.8	Confident	105 Å²	105	60.6 Å²	60.6	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-60.7	-48.9	175.8	-67.6	-31.1	0	0	0	111.5	I569 P592 Q596 S597 Y598	I569-D594 HydrophobicContact CD1-CB 3.99Å; P592-D594 VanDerWaalsContact C-N 3.28Å; P592-D594 PolarHBondContact O-N 2.98Å; P592-D594 VanDerWaalsContact O-N 3.15Å; D594-Q596 PolarHBondContact O-N 3.3Å; D594-S597 PolarHBondContact O-N 2.97Å; D594-S597 PolarHBondContact O-OG 2.7Å; D594-Y598 WeakPolarHBondContact O-CD2 3.27Å; D594-Y598 PolarHBondContact O-N 3.38Å
595	M	92.5	Very high	89.3	Confident	40 Å²	40	58.7 Å²	58.7	20%	0.197	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-42.9	178.5	-67.1	-178.6	70.6	0	0	111.7	I569 L591 P592 S597 Y598 V599 T642 L649	I569-M595 HydrophobicContact CD1-CG 4.14Å; L591-M595 HydrophobicContact CB-CB 4.41Å; L591-M595 HydrophobicContact CD2-CE 4.35Å; P592-M595 HydrophobicContact CB-CG 4.48Å; P592-M595 HydrophobicContact CG-SD 3.98Å; P592-M595 WeakPolarHBondContact O-CB 3.37Å; P592-M595 PolarHBondContact O-N 3.14Å; M595-S597 VanDerWaalsContact C-N 3.31Å; M595-S597 PolarHBondContact O-N 3.11Å; M595-Y598 PolarHBondContact O-N 2.92Å; M595-V599 PolarHBondContact O-N 3.47Å; M595-V599 VanDerWaalsContact O-N 3.08Å; M595-T642 HydrophobicContact CE-CG2 4.2Å; M595-L649 HydrophobicContact SD-CD1 4.26Å
596	Q	92.4	Very high	90.1	Very high	67 Å²	67	54.9 Å²	54.9	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-42.2	176.3	-179	57.8	30.7	0	0	111.5	L591 P592 A593 D594 Y598 V599 E600	L591-Q596 HydrophobicContact CB-CB 4.23Å; P592-Q596 PolarHBondContact O-N 2.97Å; A593-Q596 PolarHBondContact O-N 3.47Å; D594-Q596 PolarHBondContact O-N 3.3Å; Q596-Y598 VanDerWaalsContact C-N 3.28Å; Q596-Y598 PolarHBondContact O-N 2.98Å; Q596-V599 WeakPolarHBondContact O-CB 3.44Å; Q596-V599 PolarHBondContact O-N 2.88Å; Q596-E600 WeakPolarHBondContact CG-OE1 3.31Å; Q596-E600 PolarHBondContact NE2-OE1 3.4Å; Q596-E600 WeakPolarHBondContact O-CG 3.27Å; Q596-E600 PolarHBondContact O-N 3.04Å
597	S	91.3	Very high	90.8	Very high	32 Å²	32	52.8 Å²	52.8	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-32.1	177.6	83.5	0	0	0	0	113.4	A593 D594 M595 R601	A593-S597 PolarHBondContact O-N 2.84Å; D594-S597 PolarHBondContact O-N 2.97Å; D594-S597 PolarHBondContact O-OG 2.7Å; M595-S597 VanDerWaalsContact C-N 3.31Å; M595-S597 PolarHBondContact O-N 3.11Å; S597-R601 WeakPolarHBondContact O-CB 3.24Å; S597-R601 WeakPolarHBondContact O-CD 3.42Å; S597-R601 WeakPolarHBondContact O-CG 3.22Å; S597-R601 PolarHBondContact O-N 3.45Å; S597-R601 VanDerWaalsContact O-N 3.1Å
598	Y	91.2	Very high	91.5	Very high	11 Å²	11	56.3 Å²	56.3	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-75.6	-37.2	175.5	-87	-101.8	0	0	0	112.1	A567 S568 I569 M571 D594 M595 Q596 R601 F602	A567-Y598 WeakPolarHBondContact CA-OH 3.41Å; S568-Y598 PolarHBondContact N-OH 3.36Å; I569-Y598 HydrophobicContact CB-CD2 4.4Å; I569-Y598 HydrophobicContact CB-CE1 4.32Å; I569-Y598 HydrophobicContact CB-CE2 4Å; I569-Y598 HydrophobicContact CD1-CD2 4.26Å; I569-Y598 HydrophobicContact CD1-CE2 4.29Å; I569-Y598 HydrophobicContact CG1-CE2 4.29Å; I569-Y598 PolarHBondContact N-OH 3.37Å; I569-Y598 VanDerWaalsContact O-CE1 3.26Å; I569-Y598 WeakPolarHBondContact O-CE1 3.49Å; I569-Y598 PolarHBondContact O-OH 2.96Å; M571-Y598 HydrophobicContact CB-CD1 4Å; M571-Y598 HydrophobicContact SD-CD1 4.3Å; D594-Y598 WeakPolarHBondContact O-CD2 3.27Å; D594-Y598 PolarHBondContact O-N 3.38Å; M595-Y598 PolarHBondContact O-N 2.92Å; Q596-Y598 VanDerWaalsContact C-N 3.28Å; Q596-Y598 PolarHBondContact O-N 2.98Å; Y598-R601 PolarHBondContact O-N 2.92Å; Y598-F602 PolarHBondContact O-N 3.07Å
599	V	92.8	Very high	91.7	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-48.2	171.9	162.2	0	0	0	0	110.9	M571 L591 M595 Q596 F602 Q603 W617	M571-V599 HydrophobicContact CE-CG2 4.1Å; L591-V599 HydrophobicContact CD1-CG2 3.9Å; M595-V599 PolarHBondContact O-N 3.47Å; M595-V599 VanDerWaalsContact O-N 3.08Å; Q596-V599 WeakPolarHBondContact O-CB 3.44Å; Q596-V599 PolarHBondContact O-N 2.88Å; V599-F602 PolarHBondContact O-N 3.46Å; V599-Q603 WeakPolarHBondContact O-CG 3.46Å; V599-Q603 PolarHBondContact O-N 2.91Å; V599-W617 HydrophobicContact CB-CZ2 4.26Å; V599-W617 HydrophobicContact CG1-CD2 4.37Å; V599-W617 HydrophobicContact CG1-CZ2 3.89Å; V599-W617 HydrophobicContact CG2-CH2 4.26Å; V599-W617 HydrophobicContact CG2-CZ2 4.18Å; V599-W617 HydrophobicContact CG2-CZ3 4.45Å
600	E	92.1	Very high	91.6	Very high	103 Å²	103	57 Å²	57	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-42.9	178.1	-70.6	166.5	-166.4	0	0	112.5	Q596 F602 Q603 K604	Q596-E600 WeakPolarHBondContact CG-OE1 3.31Å; Q596-E600 PolarHBondContact NE2-OE1 3.4Å; Q596-E600 WeakPolarHBondContact O-CG 3.27Å; Q596-E600 PolarHBondContact O-N 3.04Å; E600-F602 VanDerWaalsContact C-N 3.32Å; E600-F602 PolarHBondContact O-N 3.29Å; E600-Q603 PolarHBondContact O-N 3.02Å; E600-K604 PolarHBondContact O-N 3.48Å
601	R	90.7	Very high	91.3	Very high	65 Å²	65	56.5 Å²	56.5	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-42.7	174.3	-74.1	167.5	-166.8	-142.6	0.9	111.3	W557 D565 S597 Y598 F605	W557-R601 HydrophobicContact CZ3-CB 4.44Å; D565-R601 IonicContact OD2-NH2 2.73Å; D565-R601 PolarHBondContact OD2-NH2 2.66Å; S597-R601 WeakPolarHBondContact O-CB 3.24Å; S597-R601 WeakPolarHBondContact O-CD 3.42Å; S597-R601 WeakPolarHBondContact O-CG 3.22Å; S597-R601 PolarHBondContact O-N 3.45Å; S597-R601 VanDerWaalsContact O-N 3.1Å; Y598-R601 PolarHBondContact O-N 2.92Å; R601-F605 PolarHBondContact O-N 2.72Å; R601-F605 VanDerWaalsContact O-N 3.11Å
602	F	93.1	Very high	91.1	Very high	1 Å²	1	60 Å²	60	0%	0.004	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-43.4	177.3	-173.8	-91.4	0	0	0	112.4	F554 M571 V573 V575 Y598 V599 E600 K604 F605 Y606 L615 W617	F554-F602 HydrophobicContact CB-CD2 4.5Å; F554-F602 HydrophobicContact CB-CE2 4.39Å; F554-F602 AromaticContact CD1-CD2 3.72Å; F554-F602 HydrophobicContact CD1-CD2 3.72Å; F554-F602 HydrophobicContact CD1-CE2 4.26Å; F554-F602 AromaticContact CD2-CD2 3.95Å; F554-F602 HydrophobicContact CD2-CD2 3.95Å; F554-F602 HydrophobicContact CE1-CB 4.32Å; F554-F602 AromaticContact CE1-CD2 3.77Å; F554-F602 HydrophobicContact CE1-CD2 3.77Å; F554-F602 HydrophobicContact CE2-CB 4.16Å; F554-F602 HydrophobicContact CE2-CD2 4Å; F554-F602 AromaticContact CG-CD2 3.8Å; F554-F602 HydrophobicContact CG-CD2 3.8Å; F554-F602 HydrophobicContact CG-CE2 4.17Å; F554-F602 HydrophobicContact CZ-CB 3.83Å; F554-F602 AromaticContact CZ-CD2 3.9Å; F554-F602 HydrophobicContact CZ-CD2 3.9Å; F554-F602 HydrophobicContact CZ-CG 4.39Å; M571-F602 HydrophobicContact SD-CB 4.33Å; V573-F602 HydrophobicContact CB-CD1 4.47Å; V573-F602 HydrophobicContact CB-CD2 4.18Å; V573-F602 HydrophobicContact CB-CE1 4.09Å; V573-F602 HydrophobicContact CB-CE2 3.77Å; V573-F602 HydrophobicContact CB-CZ 3.72Å; V573-F602 HydrophobicContact CG1-CD1 4.12Å; V573-F602 HydrophobicContact CG1-CE1 3.64Å; V573-F602 HydrophobicContact CG1-CE2 4.26Å; V573-F602 HydrophobicContact CG1-CZ 3.72Å; V573-F602 HydrophobicContact CG2-CD1 4.26Å; V573-F602 HydrophobicContact CG2-CD2 3.77Å; V573-F602 HydrophobicContact CG2-CE1 4.38Å; V573-F602 HydrophobicContact CG2-CE2 3.9Å; V573-F602 HydrophobicContact CG2-CG 3.97Å; V573-F602 HydrophobicContact CG2-CZ 4.21Å; V575-F602 HydrophobicContact CG2-CE1 4.12Å; V575-F602 HydrophobicContact CG2-CZ 3.89Å; Y598-F602 PolarHBondContact O-N 3.07Å; V599-F602 PolarHBondContact O-N 3.46Å; E600-F602 VanDerWaalsContact C-N 3.32Å; E600-F602 PolarHBondContact O-N 3.29Å; F602-K604 VanDerWaalsContact C-N 3.3Å; F602-K604 PolarHBondContact O-N 2.91Å; F602-F605 HydrophobicContact CD2-CD1 4.26Å; F602-F605 HydrophobicContact CE2-CD1 4.16Å; F602-F605 HydrophobicContact CE2-CE1 4.32Å; F602-F605 PolarHBondContact O-N 3.47Å; F602-Y606 HydrophobicContact CE1-CD2 4.45Å; F602-Y606 WeakPolarHBondContact O-CB 3.27Å; F602-Y606 PolarHBondContact O-N 2.87Å; F602-L615 HydrophobicContact CD1-CD1 4.16Å; F602-L615 HydrophobicContact CE1-CD1 4.03Å; F602-W617 HydrophobicContact CB-CH2 4.35Å; F602-W617 HydrophobicContact CB-CZ2 4.38Å; F602-W617 AromaticContact CD1-CH2 3.88Å; F602-W617 HydrophobicContact CD1-CH2 3.88Å; F602-W617 AromaticContact CD1-CZ2 3.9Å; F602-W617 HydrophobicContact CD1-CZ2 3.9Å; F602-W617 HydrophobicContact CG-CH2 4.29Å; F602-W617 HydrophobicContact CG-CZ2 4.49Å
603	Q	92.9	Very high	91	Very high	71 Å²	71	65.9 Å²	65.9	33%	0.332	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-43.1	176.2	-78.7	175.5	-37.1	0	0	111.7	V599 E600 Y606 A607 L615 W617	V599-Q603 WeakPolarHBondContact O-CG 3.46Å; V599-Q603 PolarHBondContact O-N 2.91Å; E600-Q603 PolarHBondContact O-N 3.02Å; Q603-Y606 PolarHBondContact O-N 3.41Å; Q603-A607 WeakPolarHBondContact O-CB 3.47Å; Q603-A607 PolarHBondContact O-N 2.96Å; Q603-L615 HydrophobicContact CG-CD1 4.27Å; Q603-W617 HydrophobicContact CG-CZ2 4.28Å; Q603-W617 VanDerWaalsContact NE2-NE1 3.15Å
604	K	91.1	Very high	90.9	Very high	128 Å²	128	68.7 Å²	68.7	56%	0.557	38%	0.38	S	S	*	.	H	α-helix	trans	-61.7	-53.5	174.9	-178.2	169.3	-177.6	171.5	0	112	E600 F602 Y606 A607 D608	E600-K604 PolarHBondContact O-N 3.48Å; F602-K604 VanDerWaalsContact C-N 3.3Å; F602-K604 PolarHBondContact O-N 2.91Å; K604-Y606 PolarHBondContact O-N 2.7Å; K604-A607 PolarHBondContact O-N 2.77Å; K604-D608 WeakPolarHBondContact O-CB 3.35Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.48Å
605	F	92.8	Very high	91	Very high	12 Å²	12	65.9 Å²	65.9	5%	0.053	36%	0.364	C	S	.	.	H	α-helix	trans	-52.9	-42.7	176.6	160.2	-99.6	0	0	0	112.5	L550 F554 W557 R601 F602 K609	L550-F605 HydrophobicContact CD2-CE1 4.44Å; F554-F605 HydrophobicContact CB-CD1 3.99Å; F554-F605 HydrophobicContact CB-CE1 3.72Å; F554-F605 HydrophobicContact CB-CZ 4.02Å; F554-F605 HydrophobicContact CD2-CB 3.81Å; F554-F605 AromaticContact CD2-CD1 3.53Å; F554-F605 HydrophobicContact CD2-CD1 3.53Å; F554-F605 HydrophobicContact CD2-CD2 4.18Å; F554-F605 HydrophobicContact CD2-CE1 4.16Å; F554-F605 AromaticContact CD2-CG 3.55Å; F554-F605 HydrophobicContact CD2-CG 3.55Å; F554-F605 HydrophobicContact CE2-CB 3.98Å; F554-F605 HydrophobicContact CE2-CD1 4.36Å; F554-F605 HydrophobicContact CE2-CG 4.24Å; F554-F605 HydrophobicContact CG-CD1 4.09Å; F554-F605 HydrophobicContact CG-CE1 4.32Å; F554-F605 HydrophobicContact CG-CG 4.46Å; W557-F605 HydrophobicContact CB-CD2 3.78Å; W557-F605 HydrophobicContact CB-CE2 3.99Å; W557-F605 AromaticContact CD1-CD2 3.89Å; W557-F605 HydrophobicContact CD2-CB 4.07Å; W557-F605 AromaticContact CD2-CD2 3.91Å; W557-F605 HydrophobicContact CD2-CD2 3.91Å; W557-F605 HydrophobicContact CD2-CG 4.38Å; W557-F605 HydrophobicContact CE3-CB 4.08Å; W557-F605 HydrophobicContact CE3-CD2 4.46Å; W557-F605 AromaticContact CG-CD2 3.59Å; W557-F605 HydrophobicContact CG-CD2 3.59Å; W557-F605 HydrophobicContact CG-CE2 4.24Å; W557-F605 HydrophobicContact CG-CG 4.48Å; W557-F605 HydrophobicContact CH2-CB 4.38Å; W557-F605 HydrophobicContact CZ2-CB 4.36Å; W557-F605 HydrophobicContact CZ3-CB 4.24Å; R601-F605 PolarHBondContact O-N 2.72Å; R601-F605 VanDerWaalsContact O-N 3.11Å; F602-F605 HydrophobicContact CD2-CD1 4.26Å; F602-F605 HydrophobicContact CE2-CD1 4.16Å; F602-F605 HydrophobicContact CE2-CE1 4.32Å; F602-F605 PolarHBondContact O-N 3.47Å; F605-K609 HydrophobicContact CE2-CD 4.47Å; F605-K609 HydrophobicContact CZ-CD 4.17Å; F605-K609 PolarHBondContact O-N 3.4Å
606	Y	94	Very high	91	Very high	12 Å²	12	68.2 Å²	68.2	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-71.1	-40.8	-179.8	-172.1	-93	0	0	0	112.1	L550 V575 F602 Q603 K604 K609 H610 R613 L615	L550-Y606 HydrophobicContact CD1-CE2 4.32Å; V575-Y606 HydrophobicContact CG1-CE2 3.89Å; V575-Y606 HydrophobicContact CG2-CD2 4.4Å; V575-Y606 HydrophobicContact CG2-CE2 4.16Å; F602-Y606 HydrophobicContact CE1-CD2 4.45Å; F602-Y606 WeakPolarHBondContact O-CB 3.27Å; F602-Y606 PolarHBondContact O-N 2.87Å; Q603-Y606 PolarHBondContact O-N 3.41Å; K604-Y606 PolarHBondContact O-N 2.7Å; Y606-K609 PolarHBondContact O-N 3.11Å; Y606-H610 HydrophobicContact CD1-CB 4.36Å; Y606-H610 AromaticContact CD2-CD2 3.7Å; Y606-H610 HydrophobicContact CE1-CB 4.01Å; Y606-H610 HydrophobicContact CE2-CB 4.41Å; Y606-H610 AromaticContact CE2-CD2 3.45Å; Y606-H610 VanDerWaalsContact CE2-CD2 3.45Å; Y606-H610 WeakPolarHBondContact CE2-CD2 3.44Å; Y606-H610 AromaticContact CZ-CD2 3.92Å; Y606-H610 WeakPolarHBondContact O-CA 3.48Å; Y606-H610 WeakPolarHBondContact O-CB 3.43Å; Y606-H610 PolarHBondContact O-N 3.14Å; Y606-R613 HydrophobicContact CE1-CB 4.05Å; Y606-R613 WeakPolarHBondContact OH-CD 3.49Å; Y606-L615 HydrophobicContact CD1-CD1 3.66Å; Y606-L615 HydrophobicContact CD1-CD2 3.84Å; Y606-L615 HydrophobicContact CD1-CG 3.69Å; Y606-L615 HydrophobicContact CE1-CD1 4.33Å; Y606-L615 HydrophobicContact CE1-CD2 3.63Å; Y606-L615 HydrophobicContact CE1-CG 3.92Å; Y606-L615 HydrophobicContact CG-CD1 3.81Å; Y606-L615 HydrophobicContact CG-CD2 4.36Å; Y606-L615 HydrophobicContact CG-CG 4.31Å
607	A	91.7	Very high	90.9	Very high	55 Å²	55	67.6 Å²	67.6	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-42.7	175.9	0	0	0	0	0	112.1	Q603 K604 K609 H610 G611	Q603-A607 WeakPolarHBondContact O-CB 3.47Å; Q603-A607 PolarHBondContact O-N 2.96Å; K604-A607 PolarHBondContact O-N 2.77Å; A607-K609 VanDerWaalsContact C-N 3.25Å; A607-K609 PolarHBondContact O-N 3.15Å; A607-H610 PolarHBondContact O-N 3.1Å; A607-G611 PolarHBondContact O-N 2.85Å
608	D	89.8	Confident	90.9	Very high	111 Å²	111	68.4 Å²	68.4	59%	0.594	38%	0.38	S	S	*	.	H	α-helix	trans	-61.1	-33.5	176.8	-67.6	-16.4	0	0	0	111.7	K604	K604-D608 WeakPolarHBondContact O-CB 3.35Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.48Å
609	K	89.4	Confident	90.9	Very high	105 Å²	105	69.7 Å²	69.7	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-91.7	-26.5	-179.7	-164.3	175.6	-177	-178.6	0	114.2	L550 S553 F605 Y606 A607	L550-K609 HydrophobicContact CD2-CD 4.37Å; S553-K609 PolarHBondContact OG-NZ 3.08Å; S553-K609 VanDerWaalsContact OG-NZ 3.08Å; F605-K609 HydrophobicContact CE2-CD 4.47Å; F605-K609 HydrophobicContact CZ-CD 4.17Å; F605-K609 PolarHBondContact O-N 3.4Å; Y606-K609 PolarHBondContact O-N 3.11Å; A607-K609 VanDerWaalsContact C-N 3.25Å; A607-K609 PolarHBondContact O-N 3.15Å
610	H	89.9	Confident	90.5	Very high	53 Å²	53	71.4 Å²	71.4	25%	0.245	40%	0.397	C	S	.	.	S	Bend	trans	-138.1	68.7	-170.8	-61.9	-62.6	0	0	0	112.2	Y606 A607	Y606-H610 HydrophobicContact CD1-CB 4.36Å; Y606-H610 AromaticContact CD2-CD2 3.7Å; Y606-H610 HydrophobicContact CE1-CB 4.01Å; Y606-H610 HydrophobicContact CE2-CB 4.41Å; Y606-H610 AromaticContact CE2-CD2 3.45Å; Y606-H610 VanDerWaalsContact CE2-CD2 3.45Å; Y606-H610 WeakPolarHBondContact CE2-CD2 3.44Å; Y606-H610 AromaticContact CZ-CD2 3.92Å; Y606-H610 WeakPolarHBondContact O-CA 3.48Å; Y606-H610 WeakPolarHBondContact O-CB 3.43Å; Y606-H610 PolarHBondContact O-N 3.14Å; A607-H610 PolarHBondContact O-N 3.1Å
611	G	87.1	Confident	90.2	Very high	68 Å²	68	69 Å²	69	70%	0.701	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	147.6	175.8	0	0	0	0	0	113.8	A607 R613	A607-G611 PolarHBondContact O-N 2.85Å; G611-R613 VanDerWaalsContact C-N 3.32Å; G611-R613 PolarHBondContact O-N 3.29Å
612	G	87.2	Confident	90	Very high	92 Å²	92	67 Å²	67	95%	0.948	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	6.2	178.5	0	0	0	0	0	115.6
613	R	90.1	Very high	89.9	Confident	161 Å²	161	70.8 Å²	70.8	61%	0.608	41%	0.41	S	S	*	.			trans	-110.5	142.6	176.3	-60.9	-172	-179.3	-169.4	-4.4	111.6	Y606 G611	Y606-R613 HydrophobicContact CE1-CB 4.05Å; Y606-R613 WeakPolarHBondContact OH-CD 3.49Å; G611-R613 VanDerWaalsContact C-N 3.32Å; G611-R613 PolarHBondContact O-N 3.29Å
614	V	88.1	Confident	89.8	Confident	144 Å²	144	68.9 Å²	68.9	87%	0.873	40%	0.404	S	S	*	.			trans	-109.2	136.1	174.1	-177.7	0	0	0	0	109
615	L	91.8	Very high	90	Very high	45 Å²	45	66.7 Å²	66.7	24%	0.236	40%	0.401	C	S	.	.			trans	-96.4	138.8	174.1	-69	177.2	0	0	0	110.6	V575 F602 Q603 Y606	V575-L615 HydrophobicContact CG1-CD2 4.26Å; F602-L615 HydrophobicContact CD1-CD1 4.16Å; F602-L615 HydrophobicContact CE1-CD1 4.03Å; Q603-L615 HydrophobicContact CG-CD1 4.27Å; Y606-L615 HydrophobicContact CD1-CD1 3.66Å; Y606-L615 HydrophobicContact CD1-CD2 3.84Å; Y606-L615 HydrophobicContact CD1-CG 3.69Å; Y606-L615 HydrophobicContact CE1-CD1 4.33Å; Y606-L615 HydrophobicContact CE1-CD2 3.63Å; Y606-L615 HydrophobicContact CE1-CG 3.92Å; Y606-L615 HydrophobicContact CG-CD1 3.81Å; Y606-L615 HydrophobicContact CG-CD2 4.36Å; Y606-L615 HydrophobicContact CG-CG 4.31Å
616	S	90.8	Very high	90	Very high	90 Å²	90	67.2 Å²	67.2	63%	0.629	41%	0.405	S	S	*	.			trans	-120.2	125.3	169.1	179.8	0	0	0	0	108.8
617	W	91.6	Very high	90	Very high	53 Å²	53	71.9 Å²	71.9	20%	0.201	43%	0.431	C	S	.	.			trans	-88.3	134.8	-175.4	-71.3	93	0	0	0	111.5	M571 V573 V599 F602 Q603 Y619	M571-W617 HydrophobicContact CE-CH2 3.57Å; M571-W617 HydrophobicContact CE-CZ3 3.94Å; V573-W617 HydrophobicContact CG1-CH2 3.91Å; V573-W617 HydrophobicContact CG1-CZ3 3.9Å; V573-W617 HydrophobicContact CG2-CH2 3.94Å; V573-W617 HydrophobicContact CG2-CZ3 4.2Å; V599-W617 HydrophobicContact CB-CZ2 4.26Å; V599-W617 HydrophobicContact CG1-CD2 4.37Å; V599-W617 HydrophobicContact CG1-CZ2 3.89Å; V599-W617 HydrophobicContact CG2-CH2 4.26Å; V599-W617 HydrophobicContact CG2-CZ2 4.18Å; V599-W617 HydrophobicContact CG2-CZ3 4.45Å; F602-W617 HydrophobicContact CB-CH2 4.35Å; F602-W617 HydrophobicContact CB-CZ2 4.38Å; F602-W617 AromaticContact CD1-CH2 3.88Å; F602-W617 HydrophobicContact CD1-CH2 3.88Å; F602-W617 AromaticContact CD1-CZ2 3.9Å; F602-W617 HydrophobicContact CD1-CZ2 3.9Å; F602-W617 HydrophobicContact CG-CH2 4.29Å; F602-W617 HydrophobicContact CG-CZ2 4.49Å; Q603-W617 HydrophobicContact CG-CZ2 4.28Å; Q603-W617 VanDerWaalsContact NE2-NE1 3.15Å; W617-Y619 HydrophobicContact CB-CE1 3.98Å; W617-Y619 HydrophobicContact CB-CE2 3.93Å; W617-Y619 HydrophobicContact CG-CE1 4.5Å
618	Q	91.4	Very high	90.1	Very high	50 Å²	50	69.9 Å²	69.9	23%	0.234	41%	0.414	C	S	.	.			trans	-118.3	85.3	-176	-66.1	-63.9	-25.8	0	0	109.9	P585 S620 I621	P585-Q618 PolarHBondContact O-OE1 3.46Å; Q618-S620 VanDerWaalsContact C-N 3.32Å; Q618-S620 PolarHBondContact O-N 3.15Å; Q618-I621 HydrophobicContact CB-CD1 3.98Å; Q618-I621 HydrophobicContact CB-CG1 3.88Å; Q618-I621 WeakPolarHBondContact O-CG1 3.34Å
619	Y	90	Very high	90.3	Very high	37 Å²	37	69.2 Å²	69.2	15%	0.145	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-71.3	-25.8	-173.1	-59.1	-64.2	0	0	0	113.7	V589 L591 W617 I621 G622 T642	V589-Y619 HydrophobicContact CG2-CD2 3.42Å; V589-Y619 VanDerWaalsContact CG2-CD2 3.42Å; V589-Y619 HydrophobicContact CG2-CE2 3.82Å; V589-Y619 HydrophobicContact CG2-CG 3.84Å; L591-Y619 HydrophobicContact CD1-CE1 3.82Å; L591-Y619 HydrophobicContact CD2-CD1 4.41Å; L591-Y619 HydrophobicContact CD2-CE1 4.18Å; L591-Y619 HydrophobicContact CG-CE1 4.38Å; W617-Y619 HydrophobicContact CB-CE1 3.98Å; W617-Y619 HydrophobicContact CB-CE2 3.93Å; W617-Y619 HydrophobicContact CG-CE1 4.5Å; Y619-I621 VanDerWaalsContact C-N 3.28Å; Y619-I621 PolarHBondContact O-N 3.29Å; Y619-G622 PolarHBondContact O-N 3.06Å; Y619-G622 VanDerWaalsContact O-N 3.12Å; Y619-T642 HydrophobicContact CD1-CG2 4.19Å; Y619-T642 VanDerWaalsContact O-CB 3.25Å; Y619-T642 WeakPolarHBondContact O-CB 3.28Å; Y619-T642 PolarHBondContact O-OG1 2.76Å
620	S	84.2	Confident	90.4	Very high	43 Å²	43	64.5 Å²	64.5	30%	0.301	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-57.9	-33.7	178	53.2	0	0	0	0	114.1	Q618 Y643	Q618-S620 VanDerWaalsContact C-N 3.32Å; Q618-S620 PolarHBondContact O-N 3.15Å; S620-Y643 PolarHBondContact N-OH 2.63Å
621	I	85.8	Confident	90.2	Very high	54 Å²	54	63.9 Å²	63.9	28%	0.277	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-95.6	-7	178.7	54.1	164.5	0	0	0	113.4	L508 L576 Y584 Q618 Y619	L508-I621 HydrophobicContact CD1-CD1 3.94Å; L576-I621 HydrophobicContact CD1-CD1 4.23Å; Y584-I621 HydrophobicContact CD1-CG2 3.65Å; Y584-I621 HydrophobicContact CD2-CD1 4.37Å; Y584-I621 HydrophobicContact CE1-CG2 3.46Å; Y584-I621 VanDerWaalsContact CE1-CG2 3.46Å; Y584-I621 HydrophobicContact CE2-CD1 4.24Å; Y584-I621 HydrophobicContact CG-CG2 4.3Å; Q618-I621 HydrophobicContact CB-CD1 3.98Å; Q618-I621 HydrophobicContact CB-CG1 3.88Å; Q618-I621 WeakPolarHBondContact O-CG1 3.34Å; Y619-I621 VanDerWaalsContact C-N 3.28Å; Y619-I621 PolarHBondContact O-N 3.29Å
622	G	88.2	Confident	90	Very high	22 Å²	22	70.1 Å²	70.1	23%	0.227	40%	0.402	C	S	.	.			trans	-73.5	148.6	-179.2	0	0	0	0	0	113.1	Y619 S641 T642	Y619-G622 PolarHBondContact O-N 3.06Å; Y619-G622 VanDerWaalsContact O-N 3.12Å; G622-S641 WeakPolarHBondContact O-CA 3.47Å; G622-T642 VanDerWaalsContact C-OG1 3.24Å; G622-T642 VanDerWaalsContact CA-OG1 3.22Å; G622-T642 WeakPolarHBondContact CA-OG1 3.26Å; G622-T642 PolarHBondContact O-N 3.19Å; G622-T642 PolarHBondContact O-OG1 2.86Å
623	T	90	Very high	89.9	Confident	81 Å²	81	74.1 Å²	74.1	50%	0.497	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.3	177.8	61.2	0	0	0	0	110.9	V640	T623-V640 CarbonylContact C-O 3.15Å; T623-V640 VanDerWaalsContact CA-O 3.32Å; T623-V640 WeakPolarHBondContact CA-O 2.81Å
624	C	92	Very high	89.8	Confident	30 Å²	30	67.6 Å²	67.6	20%	0.203	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.4	178.6	-63.3	0	0	0	0	110.5	V640 A645	C624-V640 HydrophobicContact CB-CG2 4.16Å; C624-V640 PolarHBondContact N-O 3.1Å; C624-V640 WeakPolarHBondContact O-CG2 3.5Å; C624-V640 PolarHBondContact O-N 2.97Å; C624-A645 HydrophobicContact CB-CB 3.69Å
625	V	93.4	Very high	90	Very high	82 Å²	82	65.3 Å²	65.3	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.9	165	179.6	0	0	0	0	107.5	E637 L638 L639	V625-E637 HydrophobicContact CG1-CB 4.08Å; V625-E637 HydrophobicContact CG1-CG 4.37Å; V625-L638 WeakPolarHBondContact CA-O 3.23Å; V625-L639 HydrophobicContact CG2-CD1 3.88Å
626	V	94	Very high	90.2	Very high	23 Å²	23	64.4 Å²	64.4	14%	0.139	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.3	178.1	178.8	0	0	0	0	108.7	A628 L638 V640 A645	V626-A628 PolarHBondContact O-N 3.19Å; V626-L638 HydrophobicContact CB-CB 4.45Å; V626-L638 PolarHBondContact N-O 3.34Å; V626-L638 PolarHBondContact O-N 3.4Å; V626-V640 HydrophobicContact CG2-CG2 3.75Å; V626-A645 HydrophobicContact CG2-CB 3.85Å
627	L	94.2	Very high	90.4	Very high	110 Å²	110	61.4 Å²	61.4	58%	0.576	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.2	169.7	-163.4	92	0	0	0	108.4	E637	L627-E637 HydrophobicContact CD1-CG 3.89Å
628	A	93.8	Very high	90.5	Very high	14 Å²	14	59 Å²	59	12%	0.116	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.5	-178	0	0	0	0	0	110.7	V626 F630 E635 K636 L638	V626-A628 PolarHBondContact O-N 3.19Å; A628-F630 HydrophobicContact CB-CD2 4.16Å; A628-F630 HydrophobicContact CB-CE2 3.48Å; A628-F630 VanDerWaalsContact CB-CE2 3.48Å; A628-F630 HydrophobicContact CB-CZ 3.86Å; A628-E635 WeakPolarHBondContact O-CA 3.4Å; A628-K636 PolarHBondContact N-O 2.92Å; A628-K636 PolarHBondContact O-N 3.42Å; A628-L638 HydrophobicContact CB-CD1 3.72Å; A628-L638 HydrophobicContact CB-CG 3.98Å
629	N	92.8	Very high	90.5	Very high	97 Å²	97	58.5 Å²	58.5	52%	0.519	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.3	176.4	-177.5	-16.7	0	0	0	109.6	G631	N629-G631 PolarHBondContact OD1-N 2.99Å; N629-G631 PolarHBondContact OD1-O 3.17Å; N629-G631 VanDerWaalsContact OD1-O 3.09Å
630	F	91.6	Very high	90.7	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.022	30%	0.303	C	S	.	.			trans	-101.4	38.5	178.9	-62.3	-81.2	0	0	0	111.8	A628 N634 K636 L638 V687 F705 N706 F709	A628-F630 HydrophobicContact CB-CD2 4.16Å; A628-F630 HydrophobicContact CB-CE2 3.48Å; A628-F630 VanDerWaalsContact CB-CE2 3.48Å; A628-F630 HydrophobicContact CB-CZ 3.86Å; F630-N634 HydrophobicContact CB-CB 4.28Å; F630-N634 VanDerWaalsContact CB-ND2 3.27Å; F630-N634 WeakPolarHBondContact CB-ND2 3.39Å; F630-N634 PolarHBondContact N-O 3.11Å; F630-N634 PolarHBondContact O-ND2 2.81Å; F630-K636 HydrophobicContact CD2-CB 4.32Å; F630-K636 HydrophobicContact CD2-CG 3.9Å; F630-K636 HydrophobicContact CE2-CB 4.13Å; F630-K636 HydrophobicContact CE2-CG 4.08Å; F630-L638 HydrophobicContact CE2-CD1 4.43Å; F630-L638 HydrophobicContact CE2-CD2 4.48Å; F630-L638 HydrophobicContact CZ-CD1 4.19Å; F630-V687 HydrophobicContact CE1-CB 4.3Å; F630-V687 HydrophobicContact CE1-CG1 4.46Å; F630-V687 HydrophobicContact CZ-CB 4Å; F630-V687 HydrophobicContact CZ-CG1 3.81Å; F630-F705 HydrophobicContact CD1-CE1 4.37Å; F630-F705 AromaticContact CD1-CE2 3.64Å; F630-F705 HydrophobicContact CD1-CE2 3.64Å; F630-F705 AromaticContact CD1-CZ 3.4Å; F630-F705 HydrophobicContact CD1-CZ 3.4Å; F630-F705 VanDerWaalsContact CD1-CZ 3.4Å; F630-F705 HydrophobicContact CE1-CD2 4.42Å; F630-F705 AromaticContact CE1-CE2 3.44Å; F630-F705 HydrophobicContact CE1-CE2 3.44Å; F630-F705 VanDerWaalsContact CE1-CE2 3.44Å; F630-F705 AromaticContact CE1-CZ 3.74Å; F630-F705 HydrophobicContact CE1-CZ 3.74Å; F630-F705 HydrophobicContact CG-CZ 4.25Å; F630-F705 HydrophobicContact CZ-CE2 4.37Å; F630-N706 VanDerWaalsContact CD1-O 3.27Å; F630-N706 WeakPolarHBondContact CD1-O 3.22Å; F630-F709 HydrophobicContact CD1-CB 3.8Å; F630-F709 HydrophobicContact CD1-CD1 4.36Å; F630-F709 HydrophobicContact CD2-CD1 4.01Å; F630-F709 HydrophobicContact CE1-CB 3.91Å; F630-F709 HydrophobicContact CE1-CD1 4.12Å; F630-F709 HydrophobicContact CE1-CG 4.31Å; F630-F709 AromaticContact CE2-CD1 3.75Å; F630-F709 HydrophobicContact CE2-CD1 3.75Å; F630-F709 HydrophobicContact CE2-CE1 4.32Å; F630-F709 HydrophobicContact CG-CB 4.25Å; F630-F709 HydrophobicContact CG-CD1 4.3Å; F630-F709 HydrophobicContact CZ-CB 4.46Å; F630-F709 AromaticContact CZ-CD1 3.81Å; F630-F709 HydrophobicContact CZ-CD1 3.81Å; F630-F709 HydrophobicContact CZ-CE1 4.5Å; F630-F709 HydrophobicContact CZ-CG 4.4Å
631	G	86	Confident	91	Very high	40 Å²	40	54.9 Å²	54.9	41%	0.412	29%	0.291	S	S	.	.	S	Bend	trans	98.4	-173.7	179.9	0	0	0	0	0	114.3	N629 K633 N634	N629-G631 PolarHBondContact OD1-N 2.99Å; N629-G631 PolarHBondContact OD1-O 3.17Å; N629-G631 VanDerWaalsContact OD1-O 3.09Å; G631-K633 PolarHBondContact O-N 3.02Å; G631-K633 VanDerWaalsContact O-N 3.16Å; G631-N634 PolarHBondContact O-N 3.24Å
632	Y	83.8	Confident	91.3	Very high	200 Å²	200	52.7 Å²	52.7	78%	0.784	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	119.8	-170.3	-176.1	-100.3	0	0	0	113	N634	Y632-N634 PolarHBondContact O-N 3.05Å
633	K	83.6	Confident	91.5	Very high	175 Å²	175	51.9 Å²	51.9	76%	0.761	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	21.4	-176.7	-65.1	179.7	174.9	168.8	0	115.2	G631	G631-K633 PolarHBondContact O-N 3.02Å; G631-K633 VanDerWaalsContact O-N 3.16Å
634	N	89.7	Confident	91.7	Very high	24 Å²	24	48 Å²	48	13%	0.128	25%	0.246	C	C	.	.			trans	-113.8	51.3	-178	-165.6	20.4	0	0	0	112.3	F630 G631 Y632 K636 F709	F630-N634 HydrophobicContact CB-CB 4.28Å; F630-N634 VanDerWaalsContact CB-ND2 3.27Å; F630-N634 WeakPolarHBondContact CB-ND2 3.39Å; F630-N634 PolarHBondContact N-O 3.11Å; F630-N634 PolarHBondContact O-ND2 2.81Å; G631-N634 PolarHBondContact O-N 3.24Å; Y632-N634 PolarHBondContact O-N 3.05Å; N634-K636 WeakPolarHBondContact OD1-CE 3.31Å; N634-F709 PolarHBondContact ND2-O 2.86Å
635	E	92.4	Very high	91.9	Very high	97 Å²	97	46.6 Å²	46.6	45%	0.453	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.3	174.5	-64	-179.8	167.5	0	0	111.3	A628	A628-E635 WeakPolarHBondContact O-CA 3.4Å
636	K	94.2	Very high	91.9	Very high	25 Å²	25	42.9 Å²	42.9	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.5	179.5	-53.7	-65.1	164.5	-179.2	0	110.8	A628 F630 N634 L638 N711 R714 I716	A628-K636 PolarHBondContact N-O 2.92Å; A628-K636 PolarHBondContact O-N 3.42Å; F630-K636 HydrophobicContact CD2-CB 4.32Å; F630-K636 HydrophobicContact CD2-CG 3.9Å; F630-K636 HydrophobicContact CE2-CB 4.13Å; F630-K636 HydrophobicContact CE2-CG 4.08Å; N634-K636 WeakPolarHBondContact OD1-CE 3.31Å; K636-L638 HydrophobicContact CB-CD2 4.1Å; K636-N711 PolarHBondContact NZ-O 2.65Å; K636-R714 CarbonylContact C-O 3.57Å; K636-R714 WeakPolarHBondContact CA-O 3.4Å; K636-I716 HydrophobicContact CB-CD1 4.24Å; K636-I716 HydrophobicContact CD-CD1 4.18Å; K636-I716 HydrophobicContact CG-CD1 4.19Å
637	E	94.8	Very high	92	Very high	27 Å²	27	41.8 Å²	41.8	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.7	169.8	-73.5	174.2	-161.5	0	0	108.9	V625 L627 R714 R715 I716	V625-E637 HydrophobicContact CG1-CB 4.08Å; V625-E637 HydrophobicContact CG1-CG 4.37Å; L627-E637 HydrophobicContact CD1-CG 3.89Å; E637-R714 PolarHBondContact N-O 3.17Å; E637-R714 IonicContact OE1-CZ 3.29Å; E637-R714 VanDerWaalsContact OE1-CZ 3.29Å; E637-R714 IonicContact OE1-NH1 2.66Å; E637-R714 PolarHBondContact OE1-NH1 3.15Å; E637-R714 IonicContact OE1-NH2 3.18Å; E637-R714 PolarHBondContact OE1-NH2 3.48Å; E637-R715 HydrophobicContact CB-CB 4.23Å; E637-R715 HydrophobicContact CB-CG 4.18Å; E637-R715 CarbonylContact O-C 3.6Å; E637-R715 VanDerWaalsContact O-CA 3.32Å; E637-R715 WeakPolarHBondContact O-CA 3.45Å; E637-R715 IonicContact OE2-CZ 2.63Å; E637-R715 IonicContact OE2-NE 3.03Å; E637-R715 PolarHBondContact OE2-NE 3.24Å; E637-R715 IonicContact OE2-NH2 3.02Å; E637-R715 PolarHBondContact OE2-NH2 3.38Å; E637-I716 PolarHBondContact O-N 2.88Å
638	L	94.9	Very high	92.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.1	179.6	-51.8	-175.9	0	0	0	109.2	V625 V626 A628 F630 K636 V640 L648 V687 I716 I718	V625-L638 WeakPolarHBondContact CA-O 3.23Å; V626-L638 HydrophobicContact CB-CB 4.45Å; V626-L638 PolarHBondContact N-O 3.34Å; V626-L638 PolarHBondContact O-N 3.4Å; A628-L638 HydrophobicContact CB-CD1 3.72Å; A628-L638 HydrophobicContact CB-CG 3.98Å; F630-L638 HydrophobicContact CE2-CD1 4.43Å; F630-L638 HydrophobicContact CE2-CD2 4.48Å; F630-L638 HydrophobicContact CZ-CD1 4.19Å; K636-L638 HydrophobicContact CB-CD2 4.1Å; L638-V640 HydrophobicContact CB-CG1 3.97Å; L638-V640 PolarHBondContact O-N 2.97Å; L638-L648 HydrophobicContact CD1-CD1 4.22Å; L638-V687 HydrophobicContact CD1-CG1 4.09Å; L638-V687 HydrophobicContact CD2-CG1 4.4Å; L638-I716 WeakPolarHBondContact CA-O 3.43Å; L638-I716 HydrophobicContact CD2-CB 4.11Å; L638-I716 HydrophobicContact CD2-CD1 4.16Å; L638-I718 HydrophobicContact CD1-CD1 4.45Å; L638-I718 HydrophobicContact CD2-CD1 4.06Å
639	L	91.9	Very high	92.1	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.209	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.1	169.8	178.1	64.5	0	0	0	108.7	V625 I716 K717 I718	V625-L639 HydrophobicContact CG2-CD1 3.88Å; L639-I716 PolarHBondContact N-O 3.15Å; L639-K717 HydrophobicContact CB-CG 4.44Å; L639-K717 HydrophobicContact CD2-CB 4.46Å; L639-K717 HydrophobicContact CD2-CD 3.82Å; L639-K717 HydrophobicContact CD2-CG 3.94Å; L639-K717 HydrophobicContact CG-CG 4.26Å; L639-I718 PolarHBondContact O-N 3.43Å
640	V	93	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	167.6	-167.6	-70.3	0	0	0	0	111.1	T623 C624 V626 L638 Q644 A645 L648 I718	T623-V640 CarbonylContact C-O 3.15Å; T623-V640 VanDerWaalsContact CA-O 3.32Å; T623-V640 WeakPolarHBondContact CA-O 2.81Å; C624-V640 HydrophobicContact CB-CG2 4.16Å; C624-V640 PolarHBondContact N-O 3.1Å; C624-V640 WeakPolarHBondContact O-CG2 3.5Å; C624-V640 PolarHBondContact O-N 2.97Å; V626-V640 HydrophobicContact CG2-CG2 3.75Å; L638-V640 HydrophobicContact CB-CG1 3.97Å; L638-V640 PolarHBondContact O-N 2.97Å; V640-Q644 VanDerWaalsContact CA-OE1 3.26Å; V640-Q644 HydrophobicContact CB-CB 3.81Å; V640-Q644 VanDerWaalsContact CB-OE1 3.25Å; V640-Q644 HydrophobicContact CG1-CB 4.29Å; V640-A645 HydrophobicContact CG2-CB 3.96Å; V640-L648 HydrophobicContact CG1-CD1 4.17Å; V640-I718 HydrophobicContact CG1-CB 4.25Å
641	S	91.5	Very high	92.4	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.035	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	166.6	166.1	64.2	0	0	0	0	111.5	G622 Y643 Q644 A645 Q722	G622-S641 WeakPolarHBondContact O-CA 3.47Å; S641-Y643 VanDerWaalsContact C-N 3.34Å; S641-Y643 PolarHBondContact O-N 3.01Å; S641-Q644 PolarHBondContact O-N 3.19Å; S641-Q644 VanDerWaalsContact OG-CG 3.25Å; S641-Q644 WeakPolarHBondContact OG-CG 3.4Å; S641-Q644 PolarHBondContact OG-N 2.91Å; S641-Q644 PolarHBondContact OG-OE1 2.88Å; S641-A645 PolarHBondContact O-N 3.43Å; S641-Q722 PolarHBondContact OG-OE1 3.15Å
642	T	91.7	Very high	92.7	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-45.7	174.9	-35.7	0	0	0	0	111.9	M595 Y619 G622 Q644 A645 I646	M595-T642 HydrophobicContact CE-CG2 4.2Å; Y619-T642 HydrophobicContact CD1-CG2 4.19Å; Y619-T642 VanDerWaalsContact O-CB 3.25Å; Y619-T642 WeakPolarHBondContact O-CB 3.28Å; Y619-T642 PolarHBondContact O-OG1 2.76Å; G622-T642 VanDerWaalsContact C-OG1 3.24Å; G622-T642 VanDerWaalsContact CA-OG1 3.22Å; G622-T642 WeakPolarHBondContact CA-OG1 3.26Å; G622-T642 PolarHBondContact O-N 3.19Å; G622-T642 PolarHBondContact O-OG1 2.86Å; T642-Q644 PolarHBondContact O-N 3.28Å; T642-A645 WeakPolarHBondContact O-CB 3.35Å; T642-A645 PolarHBondContact O-N 2.99Å; T642-A645 VanDerWaalsContact O-N 3.1Å; T642-I646 HydrophobicContact CG2-CD1 4.14Å; T642-I646 VanDerWaalsContact O-CG1 3.3Å; T642-I646 WeakPolarHBondContact O-CG1 3.35Å; T642-I646 PolarHBondContact O-N 2.96Å
643	Y	92.7	Very high	93	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-43.9	179.8	-60.8	-25.8	0	0	0	112.2	S587 V589 S620 S641 A645 I646 V647 I668 E672	S587-Y643 WeakPolarHBondContact CB-OH 3.45Å; S587-Y643 PolarHBondContact OG-OH 2.95Å; V589-Y643 HydrophobicContact CG1-CD1 4.22Å; V589-Y643 HydrophobicContact CG1-CE1 3.73Å; S620-Y643 PolarHBondContact N-OH 2.63Å; S641-Y643 VanDerWaalsContact C-N 3.34Å; S641-Y643 PolarHBondContact O-N 3.01Å; Y643-A645 VanDerWaalsContact C-N 3.34Å; Y643-A645 PolarHBondContact O-N 2.86Å; Y643-I646 PolarHBondContact O-N 3.42Å; Y643-V647 WeakPolarHBondContact O-CG2 3.3Å; Y643-V647 PolarHBondContact O-N 3.34Å; Y643-I668 HydrophobicContact CD1-CD1 4.27Å; Y643-I668 HydrophobicContact CD1-CG1 4.3Å; Y643-I668 HydrophobicContact CG-CD1 4.31Å; Y643-E672 HydrophobicContact CD2-CG 3.67Å; Y643-E672 HydrophobicContact CE2-CG 3.67Å
644	Q	94.4	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-40	173.4	-73	173.1	-23.3	0	0	112.6	V640 S641 T642 L648 T676 S679 L680 I718	V640-Q644 VanDerWaalsContact CA-OE1 3.26Å; V640-Q644 HydrophobicContact CB-CB 3.81Å; V640-Q644 VanDerWaalsContact CB-OE1 3.25Å; V640-Q644 HydrophobicContact CG1-CB 4.29Å; S641-Q644 PolarHBondContact O-N 3.19Å; S641-Q644 VanDerWaalsContact OG-CG 3.25Å; S641-Q644 WeakPolarHBondContact OG-CG 3.4Å; S641-Q644 PolarHBondContact OG-N 2.91Å; S641-Q644 PolarHBondContact OG-OE1 2.88Å; T642-Q644 PolarHBondContact O-N 3.28Å; Q644-L648 WeakPolarHBondContact O-CB 3.48Å; Q644-L648 WeakPolarHBondContact O-CG 3.34Å; Q644-L648 PolarHBondContact O-N 3.41Å; Q644-T676 HydrophobicContact CB-CG2 4.43Å; Q644-T676 HydrophobicContact CG-CG2 3.83Å; Q644-S679 PolarHBondContact NE2-OG 3.45Å; Q644-S679 VanDerWaalsContact NE2-OG 3.16Å; Q644-L680 HydrophobicContact CB-CD1 4.18Å; Q644-L680 HydrophobicContact CB-CD2 4.16Å; Q644-L680 HydrophobicContact CB-CG 4.45Å; Q644-L680 HydrophobicContact CG-CD1 4.11Å; Q644-L680 HydrophobicContact CG-CD2 4.04Å; Q644-L680 HydrophobicContact CG-CG 4.04Å; Q644-I718 VanDerWaalsContact CD-O 3.27Å; Q644-I718 PolarHBondContact NE2-O 3.05Å; Q644-I718 PolarHBondContact OE1-O 3.01Å
645	A	94.7	Very high	93.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-45.8	177.1	0	0	0	0	0	112	C624 V626 V640 S641 T642 Y643 V647 L648 L649	C624-A645 HydrophobicContact CB-CB 3.69Å; V626-A645 HydrophobicContact CG2-CB 3.85Å; V640-A645 HydrophobicContact CG2-CB 3.96Å; S641-A645 PolarHBondContact O-N 3.43Å; T642-A645 WeakPolarHBondContact O-CB 3.35Å; T642-A645 PolarHBondContact O-N 2.99Å; T642-A645 VanDerWaalsContact O-N 3.1Å; Y643-A645 VanDerWaalsContact C-N 3.34Å; Y643-A645 PolarHBondContact O-N 2.86Å; A645-V647 PolarHBondContact O-N 2.93Å; A645-L648 PolarHBondContact O-N 3.32Å; A645-L649 WeakPolarHBondContact O-CB 3.22Å; A645-L649 WeakPolarHBondContact O-CG 3.4Å; A645-L649 PolarHBondContact O-N 3.02Å
646	I	94.8	Very high	93.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-49	176.5	-62.3	162	0	0	0	110.1	V589 L591 T642 Y643 L649 L650 T666	V589-I646 HydrophobicContact CB-CD1 4.33Å; V589-I646 HydrophobicContact CG2-CD1 4.01Å; L591-I646 HydrophobicContact CD2-CD1 3.79Å; L591-I646 HydrophobicContact CD2-CG1 4.23Å; T642-I646 HydrophobicContact CG2-CD1 4.14Å; T642-I646 VanDerWaalsContact O-CG1 3.3Å; T642-I646 WeakPolarHBondContact O-CG1 3.35Å; T642-I646 PolarHBondContact O-N 2.96Å; Y643-I646 PolarHBondContact O-N 3.42Å; I646-L649 PolarHBondContact O-N 2.94Å; I646-L650 PolarHBondContact O-N 2.94Å; I646-T666 HydrophobicContact CG2-CG2 3.65Å
647	V	95.6	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-45	177.8	171.4	0	0	0	0	112	Y643 A645 L649 L650 F651 I662 T666 I668 L673 T676 L677 L680	Y643-V647 WeakPolarHBondContact O-CG2 3.3Å; Y643-V647 PolarHBondContact O-N 3.34Å; A645-V647 PolarHBondContact O-N 2.93Å; V647-L649 VanDerWaalsContact C-N 3.33Å; V647-L649 PolarHBondContact O-N 3.47Å; V647-L650 WeakPolarHBondContact O-CB 3.42Å; V647-L650 PolarHBondContact O-N 2.97Å; V647-F651 HydrophobicContact CG1-CE2 4.41Å; V647-F651 WeakPolarHBondContact O-CD2 3.33Å; V647-I662 HydrophobicContact CG1-CG2 4.13Å; V647-I662 HydrophobicContact CG2-CG2 3.85Å; V647-T666 HydrophobicContact CG2-CG2 4.2Å; V647-I668 HydrophobicContact CG2-CD1 3.99Å; V647-L673 HydrophobicContact CG2-CD1 4.1Å; V647-T676 HydrophobicContact CG2-CG2 4.05Å; V647-L677 HydrophobicContact CG1-CD2 3.86Å; V647-L680 HydrophobicContact CB-CD1 4.39Å; V647-L680 HydrophobicContact CG1-CD1 4.08Å
648	L	95.5	Very high	93.6	Very high	21 Å²	21	39 Å²	39	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-35.8	179.1	-75.1	170.6	0	0	0	112.5	L638 V640 Q644 A645 L650 F651 L680 V687 I688	L638-L648 HydrophobicContact CD1-CD1 4.22Å; V640-L648 HydrophobicContact CG1-CD1 4.17Å; Q644-L648 WeakPolarHBondContact O-CB 3.48Å; Q644-L648 WeakPolarHBondContact O-CG 3.34Å; Q644-L648 PolarHBondContact O-N 3.41Å; A645-L648 PolarHBondContact O-N 3.32Å; L648-L650 VanDerWaalsContact C-N 3.27Å; L648-L650 PolarHBondContact O-N 2.86Å; L648-F651 PolarHBondContact O-N 3.42Å; L648-L680 HydrophobicContact CD1-CD2 4.01Å; L648-L680 HydrophobicContact CD2-CD1 4.38Å; L648-L680 HydrophobicContact CD2-CD2 4.32Å; L648-L680 HydrophobicContact CG-CD1 4.15Å; L648-L680 HydrophobicContact CG-CD2 4.23Å; L648-V687 HydrophobicContact CD2-CG2 4.03Å; L648-I688 HydrophobicContact CD2-CG2 4.09Å
649	L	94.5	Very high	93.6	Very high	60 Å²	60	38.9 Å²	38.9	31%	0.314	20%	0.204	S	C	.	.	H	α-helix	trans	-69.4	-21.7	-178.7	-72.8	169.3	0	0	0	113.5	P592 M595 A645 I646 V647 F651 N652	P592-L649 HydrophobicContact CG-CD1 3.79Å; M595-L649 HydrophobicContact SD-CD1 4.26Å; A645-L649 WeakPolarHBondContact O-CB 3.22Å; A645-L649 WeakPolarHBondContact O-CG 3.4Å; A645-L649 PolarHBondContact O-N 3.02Å; I646-L649 PolarHBondContact O-N 2.94Å; V647-L649 VanDerWaalsContact C-N 3.33Å; V647-L649 PolarHBondContact O-N 3.47Å; L649-F651 PolarHBondContact O-N 2.6Å; L649-N652 WeakPolarHBondContact CD2-ND2 3.4Å; L649-N652 WeakPolarHBondContact O-CB 3.45Å; L649-N652 PolarHBondContact O-N 3.43Å; L649-N652 PolarHBondContact O-ND2 3.28Å; L649-N652 VanDerWaalsContact O-ND2 3.12Å
650	L	95.3	Very high	93.8	Very high	37 Å²	37	41 Å²	41	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-33.7	171.5	-60.7	-178.8	0	0	0	112.1	I646 V647 L648 N652 S653 R654 L657 I662 T666	I646-L650 PolarHBondContact O-N 2.94Å; V647-L650 WeakPolarHBondContact O-CB 3.42Å; V647-L650 PolarHBondContact O-N 2.97Å; L648-L650 VanDerWaalsContact C-N 3.27Å; L648-L650 PolarHBondContact O-N 2.86Å; L650-N652 PolarHBondContact O-N 2.91Å; L650-N652 VanDerWaalsContact O-N 3.11Å; L650-S653 PolarHBondContact O-N 3.45Å; L650-S653 VanDerWaalsContact O-N 3.1Å; L650-S653 PolarHBondContact O-OG 3.44Å; L650-S653 VanDerWaalsContact O-OG 3.12Å; L650-R654 PolarHBondContact O-N 3.38Å; L650-L657 HydrophobicContact CB-CD1 3.64Å; L650-L657 HydrophobicContact CD1-CD1 4.08Å; L650-I662 HydrophobicContact CD1-CB 4.5Å; L650-I662 HydrophobicContact CD1-CG1 4.36Å; L650-I662 HydrophobicContact CD1-CG2 4.19Å; L650-T666 HydrophobicContact CD1-CG2 3.78Å; L650-T666 HydrophobicContact CG-CG2 4.43Å
651	F	95.3	Very high	93.9	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.066	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-4.7	-178.1	-68.6	-84.6	0	0	0	114.1	V647 L648 L649 S653 R654 L657 I688 F703 F705	V647-F651 HydrophobicContact CG1-CE2 4.41Å; V647-F651 WeakPolarHBondContact O-CD2 3.33Å; L648-F651 PolarHBondContact O-N 3.42Å; L649-F651 PolarHBondContact O-N 2.6Å; F651-S653 VanDerWaalsContact C-N 3.27Å; F651-R654 VanDerWaalsContact CA-O 3.32Å; F651-R654 WeakPolarHBondContact CA-O 3.41Å; F651-R654 WeakPolarHBondContact CD1-O 3.15Å; F651-L657 HydrophobicContact CD1-CD1 4.35Å; F651-L657 HydrophobicContact CD2-CD1 4.46Å; F651-L657 HydrophobicContact CE1-CB 4.34Å; F651-L657 HydrophobicContact CE1-CD1 4.05Å; F651-L657 HydrophobicContact CE1-CG 4.37Å; F651-L657 HydrophobicContact CE2-CD1 4.15Å; F651-L657 HydrophobicContact CZ-CB 4.29Å; F651-L657 HydrophobicContact CZ-CD1 3.94Å; F651-I688 HydrophobicContact CD2-CG2 4.29Å; F651-I688 HydrophobicContact CE2-CD1 4.48Å; F651-I688 HydrophobicContact CE2-CG2 4.03Å; F651-I688 HydrophobicContact CZ-CG2 4.27Å; F651-F703 HydrophobicContact CZ-CB 3.92Å; F651-F705 HydrophobicContact CD1-CB 4.24Å
652	N	92.5	Very high	94.1	Very high	135 Å²	135	43.9 Å²	43.9	72%	0.722	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.6	169.1	-66.3	-46.4	0	0	0	113	L649 L650	L649-N652 WeakPolarHBondContact CD2-ND2 3.4Å; L649-N652 WeakPolarHBondContact O-CB 3.45Å; L649-N652 PolarHBondContact O-N 3.43Å; L649-N652 PolarHBondContact O-ND2 3.28Å; L649-N652 VanDerWaalsContact O-ND2 3.12Å; L650-N652 PolarHBondContact O-N 2.91Å; L650-N652 VanDerWaalsContact O-N 3.11Å
653	S	90.4	Very high	94.3	Very high	102 Å²	102	47.4 Å²	47.4	71%	0.713	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-20.9	-178.3	67.7	0	0	0	0	114.1	L650 F651	L650-S653 PolarHBondContact O-N 3.45Å; L650-S653 VanDerWaalsContact O-N 3.1Å; L650-S653 PolarHBondContact O-OG 3.44Å; L650-S653 VanDerWaalsContact O-OG 3.12Å; F651-S653 VanDerWaalsContact C-N 3.27Å
654	R	91.6	Very high	94.3	Very high	127 Å²	127	50.8 Å²	50.8	48%	0.479	27%	0.267	S	S	.	.			trans	-140.1	133.1	-178.9	-65.4	179.5	179	-160	7.5	111.1	L650 F651 L657 E661	L650-R654 PolarHBondContact O-N 3.38Å; F651-R654 VanDerWaalsContact CA-O 3.32Å; F651-R654 WeakPolarHBondContact CA-O 3.41Å; F651-R654 WeakPolarHBondContact CD1-O 3.15Å; R654-L657 HydrophobicContact CB-CD2 4.2Å; R654-L657 HydrophobicContact CB-CG 4.27Å; R654-E661 IonicContact NH1-OE1 3.14Å; R654-E661 PolarHBondContact NH1-OE1 2.88Å
655	N	87.9	Confident	94.3	Very high	128 Å²	128	53.2 Å²	53.2	68%	0.684	28%	0.284	S	S	*	.	S	Bend	trans	-82	-24.2	-179.1	-71.7	-33.5	0	0	0	114.1	T704 F705	N655-T704 WeakPolarHBondContact O-CA 3.45Å; N655-F705 PolarHBondContact O-N 3.22Å
656	E	94.3	Very high	94.3	Very high	90 Å²	90	53.2 Å²	53.2	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.9	177.3	-176.1	172.2	113.5	0	0	109.5	K702 F703 T704	E656-K702 WeakPolarHBondContact OE1-CD 3.26Å; E656-K702 WeakPolarHBondContact OE1-CE 3.14Å; E656-K702 IonicContact OE1-NZ 2.74Å; E656-K702 PolarHBondContact OE1-NZ 3.39Å; E656-F703 WeakPolarHBondContact CA-O 3.45Å; E656-T704 HydrophobicContact CB-CG2 3.89Å; E656-T704 HydrophobicContact CG-CG2 3.82Å
657	L	96.3	Very high	94.2	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	136.3	179.1	-75.2	169.4	0	0	0	110.2	L650 F651 R654 E661 I662 F703	L650-L657 HydrophobicContact CB-CD1 3.64Å; L650-L657 HydrophobicContact CD1-CD1 4.08Å; F651-L657 HydrophobicContact CD1-CD1 4.35Å; F651-L657 HydrophobicContact CD2-CD1 4.46Å; F651-L657 HydrophobicContact CE1-CB 4.34Å; F651-L657 HydrophobicContact CE1-CD1 4.05Å; F651-L657 HydrophobicContact CE1-CG 4.37Å; F651-L657 HydrophobicContact CE2-CD1 4.15Å; F651-L657 HydrophobicContact CZ-CB 4.29Å; F651-L657 HydrophobicContact CZ-CD1 3.94Å; R654-L657 HydrophobicContact CB-CD2 4.2Å; R654-L657 HydrophobicContact CB-CG 4.27Å; L657-E661 HydrophobicContact CD2-CB 4.05Å; L657-I662 HydrophobicContact CB-CD1 3.98Å; L657-I662 HydrophobicContact CB-CG1 3.78Å; L657-I662 HydrophobicContact CD1-CG1 4.07Å; L657-I662 HydrophobicContact CG-CG1 4.45Å; L657-F703 PolarHBondContact N-O 3.31Å; L657-F703 PolarHBondContact O-N 2.86Å
658	T	96.3	Very high	94.1	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	160.9	168.5	56	0	0	0	0	111.9	E660 E661 I662 K702	T658-E660 VanDerWaalsContact C-N 3.25Å; T658-E660 PolarHBondContact O-N 3.06Å; T658-E661 WeakPolarHBondContact CB-OE2 3.45Å; T658-E661 PolarHBondContact N-OE2 3.24Å; T658-E661 PolarHBondContact O-N 3.35Å; T658-E661 WeakPolarHBondContact OG1-CB 3.44Å; T658-E661 WeakPolarHBondContact OG1-CG 3.48Å; T658-E661 PolarHBondContact OG1-N 3.47Å; T658-E661 PolarHBondContact OG1-OE2 2.98Å; T658-I662 WeakPolarHBondContact O-CG1 3.39Å; T658-I662 PolarHBondContact O-N 3.12Å; T658-I662 VanDerWaalsContact O-N 3.12Å; T658-K702 HydrophobicContact CG2-CG 3.95Å
659	F	96.3	Very high	93.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-51.5	-45.9	170.6	179.5	-93.9	0	0	0	111.9	I662 R663 L673 R674 L677 V697 D699 D701 F703	F659-I662 PolarHBondContact O-N 3.47Å; F659-R663 PolarHBondContact O-N 3.4Å; F659-L673 HydrophobicContact CD2-CD2 4.33Å; F659-L673 HydrophobicContact CD2-CG 4.46Å; F659-L673 HydrophobicContact CE1-CD2 4.47Å; F659-L673 HydrophobicContact CE2-CB 4.38Å; F659-L673 HydrophobicContact CE2-CD2 3.8Å; F659-L673 HydrophobicContact CE2-CG 3.79Å; F659-L673 HydrophobicContact CZ-CD2 3.88Å; F659-L673 HydrophobicContact CZ-CG 4.21Å; F659-R674 HydrophobicContact CE2-CG 3.77Å; F659-R674 HydrophobicContact CZ-CG 4.02Å; F659-L677 HydrophobicContact CD2-CD1 3.63Å; F659-L677 HydrophobicContact CE2-CD1 4Å; F659-V697 HydrophobicContact CD2-CG1 3.6Å; F659-V697 HydrophobicContact CE2-CG1 3.88Å; F659-D699 HydrophobicContact CD1-CB 4.39Å; F659-D701 PolarHBondContact N-O 3Å; F659-F703 HydrophobicContact CB-CE2 4.37Å
660	E	94.6	Very high	93.7	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-42.6	-179.2	-170.1	57.6	-145.6	0	0	112.9	T658 I662 R663 A664	T658-E660 VanDerWaalsContact C-N 3.25Å; T658-E660 PolarHBondContact O-N 3.06Å; E660-I662 VanDerWaalsContact C-N 3.34Å; E660-I662 PolarHBondContact O-N 3.18Å; E660-R663 PolarHBondContact O-N 2.92Å; E660-R663 IonicContact OE1-CZ 2.69Å; E660-R663 IonicContact OE1-NE 3.93Å; E660-R663 PolarHBondContact OE1-NE 3.22Å; E660-R663 IonicContact OE1-NH2 2.58Å; E660-R663 PolarHBondContact OE1-NH2 2.74Å; E660-R663 IonicContact OE2-CZ 3.85Å; E660-R663 IonicContact OE2-NE 2.81Å; E660-R663 PolarHBondContact OE2-NE 3.19Å; E660-R663 IonicContact OE2-NH2 3.88Å; E660-R663 PolarHBondContact OE2-NH2 2.63Å; E660-A664 WeakPolarHBondContact O-CB 3.46Å; E660-A664 PolarHBondContact O-N 3.4Å
661	E	95.4	Very high	93.4	Very high	67 Å²	67	64.3 Å²	64.3	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-37.6	176	-74.3	169	110.5	0	0	112.3	R654 L657 T658 S665	R654-E661 IonicContact NH1-OE1 3.14Å; R654-E661 PolarHBondContact NH1-OE1 2.88Å; L657-E661 HydrophobicContact CD2-CB 4.05Å; T658-E661 WeakPolarHBondContact CB-OE2 3.45Å; T658-E661 PolarHBondContact N-OE2 3.24Å; T658-E661 PolarHBondContact O-N 3.35Å; T658-E661 WeakPolarHBondContact OG1-CB 3.44Å; T658-E661 WeakPolarHBondContact OG1-CG 3.48Å; T658-E661 PolarHBondContact OG1-N 3.47Å; T658-E661 PolarHBondContact OG1-OE2 2.98Å; E661-S665 WeakPolarHBondContact O-CB 3.39Å; E661-S665 PolarHBondContact O-N 3.23Å; E661-S665 PolarHBondContact O-OG 3.5Å
662	I	96.2	Very high	93	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.4	-43.5	175.6	-61.2	170.1	0	0	0	109.6	V647 L650 L657 T658 F659 E660 S665 T666 L673 L677 F703	V647-I662 HydrophobicContact CG1-CG2 4.13Å; V647-I662 HydrophobicContact CG2-CG2 3.85Å; L650-I662 HydrophobicContact CD1-CB 4.5Å; L650-I662 HydrophobicContact CD1-CG1 4.36Å; L650-I662 HydrophobicContact CD1-CG2 4.19Å; L657-I662 HydrophobicContact CB-CD1 3.98Å; L657-I662 HydrophobicContact CB-CG1 3.78Å; L657-I662 HydrophobicContact CD1-CG1 4.07Å; L657-I662 HydrophobicContact CG-CG1 4.45Å; T658-I662 WeakPolarHBondContact O-CG1 3.39Å; T658-I662 PolarHBondContact O-N 3.12Å; T658-I662 VanDerWaalsContact O-N 3.12Å; F659-I662 PolarHBondContact O-N 3.47Å; E660-I662 VanDerWaalsContact C-N 3.34Å; E660-I662 PolarHBondContact O-N 3.18Å; I662-S665 PolarHBondContact O-N 3.31Å; I662-T666 HydrophobicContact CG2-CG2 4.16Å; I662-T666 WeakPolarHBondContact O-CB 3.25Å; I662-T666 VanDerWaalsContact O-CG2 3.32Å; I662-T666 WeakPolarHBondContact O-CG2 3.22Å; I662-T666 PolarHBondContact O-N 3.28Å; I662-T666 PolarHBondContact O-OG1 3.18Å; I662-L673 HydrophobicContact CG2-CD1 3.79Å; I662-L673 HydrophobicContact CG2-CD2 4.47Å; I662-L677 HydrophobicContact CD1-CD2 3.93Å; I662-F703 HydrophobicContact CD1-CB 4.23Å; I662-F703 HydrophobicContact CD1-CD2 3.9Å; I662-F703 HydrophobicContact CD1-CG 4.24Å
663	R	95	Very high	93.1	Very high	81 Å²	81	59.1 Å²	59.1	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-57.3	-54.4	175.2	-175.3	174.5	73	168.9	2.8	111.3	F659 E660 S665 T666 A667 D670 L673	F659-R663 PolarHBondContact O-N 3.4Å; E660-R663 PolarHBondContact O-N 2.92Å; E660-R663 IonicContact OE1-CZ 2.69Å; E660-R663 IonicContact OE1-NE 3.93Å; E660-R663 PolarHBondContact OE1-NE 3.22Å; E660-R663 IonicContact OE1-NH2 2.58Å; E660-R663 PolarHBondContact OE1-NH2 2.74Å; E660-R663 IonicContact OE2-CZ 3.85Å; E660-R663 IonicContact OE2-NE 2.81Å; E660-R663 PolarHBondContact OE2-NE 3.19Å; E660-R663 IonicContact OE2-NH2 3.88Å; E660-R663 PolarHBondContact OE2-NH2 2.63Å; R663-S665 VanDerWaalsContact C-N 3.32Å; R663-S665 PolarHBondContact O-N 2.93Å; R663-T666 PolarHBondContact O-N 2.95Å; R663-A667 WeakPolarHBondContact O-CA 3.38Å; R663-A667 PolarHBondContact O-N 3.31Å; R663-D670 WeakPolarHBondContact CD-OD1 3.28Å; R663-D670 IonicContact CZ-OD1 3.09Å; R663-D670 IonicContact NE-OD1 3.81Å; R663-D670 IonicContact NH1-OD1 3.96Å; R663-D670 PolarHBondContact NH1-OD1 2.98Å; R663-D670 IonicContact NH1-OD2 2.73Å; R663-D670 PolarHBondContact NH1-OD2 2.93Å; R663-L673 HydrophobicContact CB-CD2 3.71Å; R663-L673 HydrophobicContact CG-CD2 4.27Å
664	A	94	Very high	93.2	Very high	75 Å²	75	57.3 Å²	57.3	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-37.9	-179.9	0	0	0	0	0	112.9	E660	E660-A664 WeakPolarHBondContact O-CB 3.46Å; E660-A664 PolarHBondContact O-N 3.4Å
665	S	93.9	Very high	93.1	Very high	52 Å²	52	53.9 Å²	53.9	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-76.1	-29.8	-178.7	-56.6	0	0	0	0	113.7	T590 E661 I662 R663	T590-S665 WeakPolarHBondContact CB-O 3.28Å; E661-S665 WeakPolarHBondContact O-CB 3.39Å; E661-S665 PolarHBondContact O-N 3.23Å; E661-S665 PolarHBondContact O-OG 3.5Å; I662-S665 PolarHBondContact O-N 3.31Å; R663-S665 VanDerWaalsContact C-N 3.32Å; R663-S665 PolarHBondContact O-N 2.93Å
666	T	94.4	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-105.2	-20.5	-174	63.9	0	0	0	0	114.5	V589 T590 I646 V647 L650 I662 R663 I668	V589-T666 WeakPolarHBondContact CA-O 3.25Å; T590-T666 PolarHBondContact N-O 2.9Å; I646-T666 HydrophobicContact CG2-CG2 3.65Å; V647-T666 HydrophobicContact CG2-CG2 4.2Å; L650-T666 HydrophobicContact CD1-CG2 3.78Å; L650-T666 HydrophobicContact CG-CG2 4.43Å; I662-T666 HydrophobicContact CG2-CG2 4.16Å; I662-T666 WeakPolarHBondContact O-CB 3.25Å; I662-T666 VanDerWaalsContact O-CG2 3.32Å; I662-T666 WeakPolarHBondContact O-CG2 3.22Å; I662-T666 PolarHBondContact O-N 3.28Å; I662-T666 PolarHBondContact O-OG1 3.18Å; R663-T666 PolarHBondContact O-N 2.95Å; T666-I668 HydrophobicContact CG2-CD1 4.26Å; T666-I668 PolarHBondContact O-N 3.45Å; T666-I668 WeakPolarHBondContact OG1-CG1 3.33Å; T666-I668 PolarHBondContact OG1-N 3.41Å
667	A	93.9	Very high	93.3	Very high	48 Å²	48	43.5 Å²	43.5	40%	0.397	23%	0.226	S	C	.	.			trans	56.1	20.5	-170.2	0	0	0	0	0	114.8	T588 R663	T588-A667 VanDerWaalsContact O-O 3.04Å; R663-A667 WeakPolarHBondContact O-CA 3.38Å; R663-A667 PolarHBondContact O-N 3.31Å
668	I	92.5	Very high	93.1	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.236	C	C	.	.			trans	-74	134.1	175.8	-59.6	164.2	0	0	0	109.6	V589 Y643 V647 T666 E672 L673	V589-I668 HydrophobicContact CG1-CG1 3.88Å; Y643-I668 HydrophobicContact CD1-CD1 4.27Å; Y643-I668 HydrophobicContact CD1-CG1 4.3Å; Y643-I668 HydrophobicContact CG-CD1 4.31Å; V647-I668 HydrophobicContact CG2-CD1 3.99Å; T666-I668 HydrophobicContact CG2-CD1 4.26Å; T666-I668 PolarHBondContact O-N 3.45Å; T666-I668 WeakPolarHBondContact OG1-CG1 3.33Å; T666-I668 PolarHBondContact OG1-N 3.41Å; I668-E672 HydrophobicContact CG2-CB 4.45Å; I668-L673 HydrophobicContact CB-CB 4.24Å; I668-L673 HydrophobicContact CB-CD1 4.48Å; I668-L673 HydrophobicContact CD1-CD1 4.49Å; I668-L673 HydrophobicContact CG2-CB 3.85Å
669	E	91.1	Very high	92.9	Very high	138 Å²	138	44.2 Å²	44.2	65%	0.645	23%	0.227	S	C	*	.			trans	-59.1	139.8	177	-175.5	-179.4	-174.6	0	0	112.8	E671 E672 L673	E669-E671 PolarHBondContact O-N 3.09Å; E669-E672 PolarHBondContact O-N 3.3Å; E669-E672 VanDerWaalsContact O-N 3.12Å; E669-L673 WeakPolarHBondContact O-CB 3.05Å; E669-L673 PolarHBondContact O-N 3.4Å
670	D	91.4	Very high	92.8	Very high	47 Å²	47	44.2 Å²	44.2	25%	0.251	23%	0.227	S	C	.	.	H	α-helix	trans	-47.1	-49.7	-173.6	-85.2	44.3	0	0	0	115.2	R663 E672 L673 R674	R663-D670 WeakPolarHBondContact CD-OD1 3.28Å; R663-D670 IonicContact CZ-OD1 3.09Å; R663-D670 IonicContact NE-OD1 3.81Å; R663-D670 IonicContact NH1-OD1 3.96Å; R663-D670 PolarHBondContact NH1-OD1 2.98Å; R663-D670 IonicContact NH1-OD2 2.73Å; R663-D670 PolarHBondContact NH1-OD2 2.93Å; D670-E672 PolarHBondContact O-N 2.99Å; D670-L673 PolarHBondContact O-N 3Å; D670-R674 WeakPolarHBondContact O-CB 3.45Å; D670-R674 VanDerWaalsContact O-CG 3.23Å; D670-R674 WeakPolarHBondContact O-CG 3.41Å; D670-R674 PolarHBondContact O-N 3.36Å; D670-R674 IonicContact OD2-NH2 2.78Å; D670-R674 PolarHBondContact OD2-NH2 3.15Å
671	E	87.7	Confident	92.7	Very high	115 Å²	115	40.5 Å²	40.5	54%	0.537	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-43.5	-178.5	-74.3	-154.7	164.5	0	0	112	E669 R675 K728	E669-E671 PolarHBondContact O-N 3.09Å; E671-R675 PolarHBondContact O-N 3.48Å; E671-K728 IonicContact OE1-NZ 3.56Å; E671-K728 PolarHBondContact OE1-NZ 3.14Å; E671-K728 IonicContact OE2-NZ 3.74Å; E671-K728 PolarHBondContact OE2-NZ 3.18Å
672	E	88.3	Confident	92.4	Very high	42 Å²	42	38.3 Å²	38.3	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-79.3	-29.3	-177.7	-169.7	52	-143.2	0	0	111.9	Y643 I668 E669 D670 R675 T676 Q722	Y643-E672 HydrophobicContact CD2-CG 3.67Å; Y643-E672 HydrophobicContact CE2-CG 3.67Å; I668-E672 HydrophobicContact CG2-CB 4.45Å; E669-E672 PolarHBondContact O-N 3.3Å; E669-E672 VanDerWaalsContact O-N 3.12Å; D670-E672 PolarHBondContact O-N 2.99Å; E672-R675 PolarHBondContact O-N 2.95Å; E672-R675 IonicContact OE2-CZ 2.82Å; E672-R675 IonicContact OE2-NH1 2.73Å; E672-R675 PolarHBondContact OE2-NH1 2.93Å; E672-R675 VanDerWaalsContact OE2-NH1 3.13Å; E672-T676 VanDerWaalsContact O-CB 3.24Å; E672-T676 WeakPolarHBondContact O-CB 3.47Å; E672-T676 PolarHBondContact O-N 3.13Å; E672-T676 PolarHBondContact O-OG1 3.29Å; E672-Q722 PolarHBondContact OE1-NE2 3.35Å
673	L	93.1	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-44.1	170.5	-179.3	56.2	0	0	0	111.1	V647 F659 I662 R663 I668 E669 D670 R675 T676 L677	V647-L673 HydrophobicContact CG2-CD1 4.1Å; F659-L673 HydrophobicContact CD2-CD2 4.33Å; F659-L673 HydrophobicContact CD2-CG 4.46Å; F659-L673 HydrophobicContact CE1-CD2 4.47Å; F659-L673 HydrophobicContact CE2-CB 4.38Å; F659-L673 HydrophobicContact CE2-CD2 3.8Å; F659-L673 HydrophobicContact CE2-CG 3.79Å; F659-L673 HydrophobicContact CZ-CD2 3.88Å; F659-L673 HydrophobicContact CZ-CG 4.21Å; I662-L673 HydrophobicContact CG2-CD1 3.79Å; I662-L673 HydrophobicContact CG2-CD2 4.47Å; R663-L673 HydrophobicContact CB-CD2 3.71Å; R663-L673 HydrophobicContact CG-CD2 4.27Å; I668-L673 HydrophobicContact CB-CB 4.24Å; I668-L673 HydrophobicContact CB-CD1 4.48Å; I668-L673 HydrophobicContact CD1-CD1 4.49Å; I668-L673 HydrophobicContact CG2-CB 3.85Å; E669-L673 WeakPolarHBondContact O-CB 3.05Å; E669-L673 PolarHBondContact O-N 3.4Å; D670-L673 PolarHBondContact O-N 3Å; L673-R675 PolarHBondContact O-N 2.91Å; L673-T676 WeakPolarHBondContact O-CB 2.86Å; L673-T676 PolarHBondContact O-N 3.46Å; L673-L677 HydrophobicContact CD1-CD1 3.83Å; L673-L677 HydrophobicContact CD1-CG 4.01Å; L673-L677 HydrophobicContact CG-CD1 3.89Å; L673-L677 HydrophobicContact CG-CG 4.49Å; L673-L677 WeakPolarHBondContact O-CB 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.35Å; L673-L677 PolarHBondContact O-N 3.37Å
674	R	92.8	Very high	91.5	Very high	64 Å²	64	43.3 Å²	43.3	24%	0.242	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-46.6	174.2	-71.7	172.5	-150.5	-77.5	-5.6	111.4	F659 D670 L677 Q678 V697 D699	F659-R674 HydrophobicContact CE2-CG 3.77Å; F659-R674 HydrophobicContact CZ-CG 4.02Å; D670-R674 WeakPolarHBondContact O-CB 3.45Å; D670-R674 VanDerWaalsContact O-CG 3.23Å; D670-R674 WeakPolarHBondContact O-CG 3.41Å; D670-R674 PolarHBondContact O-N 3.36Å; D670-R674 IonicContact OD2-NH2 2.78Å; D670-R674 PolarHBondContact OD2-NH2 3.15Å; R674-L677 PolarHBondContact O-N 2.95Å; R674-Q678 VanDerWaalsContact O-CB 3.23Å; R674-Q678 WeakPolarHBondContact O-CB 3.07Å; R674-Q678 PolarHBondContact O-N 3.1Å; R674-V697 HydrophobicContact CB-CB 4.24Å; R674-V697 HydrophobicContact CG-CB 4.15Å; R674-V697 HydrophobicContact CG-CG1 4.14Å; R674-V697 PolarHBondContact NH1-O 3.34Å; R674-D699 IonicContact CZ-OD1 3.21Å; R674-D699 IonicContact NH1-OD1 3.43Å; R674-D699 PolarHBondContact NH1-OD1 3.5Å; R674-D699 IonicContact NH2-OD1 3.28Å; R674-D699 PolarHBondContact NH2-OD1 2.99Å; R674-D699 IonicContact NH2-OD2 2.83Å
675	R	89.2	Confident	91.3	Very high	55 Å²	55	41.2 Å²	41.2	21%	0.208	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-41.5	175	-71.3	-179.6	73.6	-160.7	12.3	112.7	E671 E672 L673 Q678 S679 I721 K724	E671-R675 PolarHBondContact O-N 3.48Å; E672-R675 PolarHBondContact O-N 2.95Å; E672-R675 IonicContact OE2-CZ 2.82Å; E672-R675 IonicContact OE2-NH1 2.73Å; E672-R675 PolarHBondContact OE2-NH1 2.93Å; E672-R675 VanDerWaalsContact OE2-NH1 3.13Å; L673-R675 PolarHBondContact O-N 2.91Å; R675-Q678 PolarHBondContact O-N 3.36Å; R675-S679 PolarHBondContact O-N 3.13Å; R675-I721 PolarHBondContact NH2-O 3.06Å; R675-I721 VanDerWaalsContact NH2-O 3.16Å; R675-K724 PolarHBondContact NH2-O 2.96Å
676	T	92.2	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-52.6	176.6	-66.4	0	0	0	0	110.6	Q644 V647 E672 L673 S679 L680 Q722	Q644-T676 HydrophobicContact CB-CG2 4.43Å; Q644-T676 HydrophobicContact CG-CG2 3.83Å; V647-T676 HydrophobicContact CG2-CG2 4.05Å; E672-T676 VanDerWaalsContact O-CB 3.24Å; E672-T676 WeakPolarHBondContact O-CB 3.47Å; E672-T676 PolarHBondContact O-N 3.13Å; E672-T676 PolarHBondContact O-OG1 3.29Å; L673-T676 WeakPolarHBondContact O-CB 2.86Å; L673-T676 PolarHBondContact O-N 3.46Å; T676-S679 PolarHBondContact O-N 3.03Å; T676-L680 HydrophobicContact CG2-CD1 4.27Å; T676-L680 WeakPolarHBondContact O-CG 3.44Å; T676-L680 PolarHBondContact O-N 3.03Å; T676-Q722 PolarHBondContact OG1-NE2 3.27Å
677	L	94.5	Very high	91.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-40.5	179	-70.7	168.5	0	0	0	112.3	V647 F659 I662 L673 R674 S679 L680 A681 I688 V697 F703	V647-L677 HydrophobicContact CG1-CD2 3.86Å; F659-L677 HydrophobicContact CD2-CD1 3.63Å; F659-L677 HydrophobicContact CE2-CD1 4Å; I662-L677 HydrophobicContact CD1-CD2 3.93Å; L673-L677 HydrophobicContact CD1-CD1 3.83Å; L673-L677 HydrophobicContact CD1-CG 4.01Å; L673-L677 HydrophobicContact CG-CD1 3.89Å; L673-L677 HydrophobicContact CG-CG 4.49Å; L673-L677 WeakPolarHBondContact O-CB 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.35Å; L673-L677 PolarHBondContact O-N 3.37Å; R674-L677 PolarHBondContact O-N 2.95Å; L677-S679 VanDerWaalsContact C-N 3.25Å; L677-S679 PolarHBondContact O-N 2.96Å; L677-L680 PolarHBondContact O-N 3.49Å; L677-L680 VanDerWaalsContact O-N 3.09Å; L677-A681 VanDerWaalsContact O-CB 3.28Å; L677-A681 WeakPolarHBondContact O-CB 3.35Å; L677-A681 PolarHBondContact O-N 3.2Å; L677-I688 HydrophobicContact CD2-CD1 4.02Å; L677-V697 HydrophobicContact CB-CG1 4.39Å; L677-V697 HydrophobicContact CB-CG2 4.02Å; L677-V697 HydrophobicContact CD1-CG1 4.14Å; L677-F703 HydrophobicContact CB-CE1 3.99Å; L677-F703 HydrophobicContact CB-CZ 4.02Å; L677-F703 HydrophobicContact CD1-CD2 4.45Å; L677-F703 HydrophobicContact CD1-CE1 4.45Å; L677-F703 HydrophobicContact CD1-CE2 3.85Å; L677-F703 HydrophobicContact CD1-CZ 3.84Å; L677-F703 HydrophobicContact CD2-CD1 4.07Å; L677-F703 HydrophobicContact CD2-CD2 4.38Å; L677-F703 HydrophobicContact CD2-CE1 4.06Å; L677-F703 HydrophobicContact CD2-CE2 4.4Å; L677-F703 HydrophobicContact CD2-CG 4.23Å; L677-F703 HydrophobicContact CD2-CZ 4.24Å; L677-F703 HydrophobicContact CG-CE1 4.39Å; L677-F703 HydrophobicContact CG-CZ 4.26Å
678	Q	92.2	Very high	91.2	Very high	49 Å²	49	42.4 Å²	42.4	23%	0.229	20%	0.196	C	C	.	.	I	π-helix	trans	-58.2	-39.1	174.4	-170	179.6	50.6	0	0	111.6	R674 R675 C682 G683 K695 D696 V697 I721	R674-Q678 VanDerWaalsContact O-CB 3.23Å; R674-Q678 WeakPolarHBondContact O-CB 3.07Å; R674-Q678 PolarHBondContact O-N 3.1Å; R675-Q678 PolarHBondContact O-N 3.36Å; Q678-C682 HydrophobicContact CG-CB 3.93Å; Q678-C682 WeakPolarHBondContact O-CB 3.44Å; Q678-C682 PolarHBondContact O-N 3.43Å; Q678-G683 PolarHBondContact O-N 2.94Å; Q678-K695 WeakPolarHBondContact CG-O 3.2Å; Q678-K695 PolarHBondContact NE2-O 2.91Å; Q678-D696 PolarHBondContact NE2-OD1 2.72Å; Q678-V697 HydrophobicContact CB-CG2 4.34Å; Q678-I721 HydrophobicContact CG-CD1 4.07Å
679	S	91.8	Very high	91.3	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.042	21%	0.205	C	C	.	.	I	π-helix	trans	-70.7	-26.6	176.9	-169.4	0	0	0	0	114.2	Q644 R675 T676 L677 I718	Q644-S679 PolarHBondContact NE2-OG 3.45Å; Q644-S679 VanDerWaalsContact NE2-OG 3.16Å; R675-S679 PolarHBondContact O-N 3.13Å; T676-S679 PolarHBondContact O-N 3.03Å; L677-S679 VanDerWaalsContact C-N 3.25Å; L677-S679 PolarHBondContact O-N 2.96Å; S679-I718 WeakPolarHBondContact O-CG2 3.49Å
680	L	93.7	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-93.3	-31	-178.8	-66.7	173.7	0	0	0	113.2	Q644 V647 L648 T676 L677 R686 V687 I688 I718	Q644-L680 HydrophobicContact CB-CD1 4.18Å; Q644-L680 HydrophobicContact CB-CD2 4.16Å; Q644-L680 HydrophobicContact CB-CG 4.45Å; Q644-L680 HydrophobicContact CG-CD1 4.11Å; Q644-L680 HydrophobicContact CG-CD2 4.04Å; Q644-L680 HydrophobicContact CG-CG 4.04Å; V647-L680 HydrophobicContact CB-CD1 4.39Å; V647-L680 HydrophobicContact CG1-CD1 4.08Å; L648-L680 HydrophobicContact CD1-CD2 4.01Å; L648-L680 HydrophobicContact CD2-CD1 4.38Å; L648-L680 HydrophobicContact CD2-CD2 4.32Å; L648-L680 HydrophobicContact CG-CD1 4.15Å; L648-L680 HydrophobicContact CG-CD2 4.23Å; T676-L680 HydrophobicContact CG2-CD1 4.27Å; T676-L680 WeakPolarHBondContact O-CG 3.44Å; T676-L680 PolarHBondContact O-N 3.03Å; L677-L680 PolarHBondContact O-N 3.49Å; L677-L680 VanDerWaalsContact O-N 3.09Å; L680-R686 CarbonylContact O-C 3.46Å; L680-R686 WeakPolarHBondContact O-CA 3.44Å; L680-V687 HydrophobicContact CB-CG2 4.27Å; L680-V687 HydrophobicContact CD2-CG2 3.79Å; L680-V687 PolarHBondContact O-N 3.01Å; L680-V687 VanDerWaalsContact O-N 3.08Å; L680-I688 HydrophobicContact CB-CD1 3.74Å; L680-I688 HydrophobicContact CB-CG1 3.88Å; L680-I688 HydrophobicContact CD1-CD1 4.38Å; L680-I688 PolarHBondContact O-N 3.24Å; L680-I718 HydrophobicContact CD2-CG2 4.26Å
681	A	92.9	Very high	91.6	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	18%	0.181	C	C	.	.	I	π-helix	trans	-111.4	-42.9	-170.3	0	0	0	0	0	114.1	L677 R686 I688 K690 F703	L677-A681 VanDerWaalsContact O-CB 3.28Å; L677-A681 WeakPolarHBondContact O-CB 3.35Å; L677-A681 PolarHBondContact O-N 3.2Å; A681-R686 WeakPolarHBondContact O-CD 3.38Å; A681-R686 VanDerWaalsContact O-CG 3.25Å; A681-R686 WeakPolarHBondContact O-CG 3.33Å; A681-I688 WeakPolarHBondContact CA-O 3.5Å; A681-I688 HydrophobicContact CB-CD1 4.17Å; A681-I688 HydrophobicContact CB-CG1 3.72Å; A681-K690 HydrophobicContact CB-CB 4.05Å; A681-F703 HydrophobicContact CB-CD1 3.97Å; A681-F703 HydrophobicContact CB-CE1 3.85Å
682	C	89.3	Confident	91.9	Very high	22 Å²	22	38.2 Å²	38.2	15%	0.149	18%	0.183	C	C	.	.	I	π-helix	trans	-94.6	-30.2	-171.8	-52.8	0	0	0	0	112.5	Q678 S694 K695	Q678-C682 HydrophobicContact CG-CB 3.93Å; Q678-C682 WeakPolarHBondContact O-CB 3.44Å; Q678-C682 PolarHBondContact O-N 3.43Å; C682-S694 PolarHBondContact SG-O 3.42Å; C682-K695 WeakPolarHBondContact CB-O 3.36Å
683	G	85.7	Confident	91.9	Very high	20 Å²	20	42.5 Å²	42.5	21%	0.206	21%	0.205	C	C	.	.	S	Bend	trans	-68.7	-166.3	-176.1	0	0	0	0	0	115.9	Q678 F685 R686	Q678-G683 PolarHBondContact O-N 2.94Å; G683-F685 PolarHBondContact O-N 3.14Å; G683-R686 WeakPolarHBondContact O-CG 3.28Å; G683-R686 PolarHBondContact O-NE 3.35Å
684	K	87.2	Confident	91.9	Very high	165 Å²	165	45.7 Å²	45.7	72%	0.717	23%	0.227	S	C	*	.	S	Bend	trans	-64.9	-35.1	-177.5	-176.3	174.4	-177.1	172.1	0	113.5
685	F	89	Confident	91.6	Very high	32 Å²	32	50.7 Å²	50.7	14%	0.14	25%	0.25	C	S	.	.	S	Bend	trans	-110.5	81.6	-176.7	-56.4	-60.9	0	0	0	109.5	G683 V687 F709 I716 I718	G683-F685 PolarHBondContact O-N 3.14Å; F685-V687 VanDerWaalsContact C-N 3.29Å; F685-V687 PolarHBondContact O-N 3.35Å; F685-F709 HydrophobicContact CB-CE2 4.37Å; F685-F709 HydrophobicContact CB-CZ 4.33Å; F685-F709 HydrophobicContact CD1-CZ 4.34Å; F685-I716 HydrophobicContact CD1-CG2 3.95Å; F685-I716 HydrophobicContact CD2-CG2 4.03Å; F685-I716 HydrophobicContact CE1-CG2 4.06Å; F685-I716 HydrophobicContact CE2-CG2 4.13Å; F685-I716 HydrophobicContact CG-CG2 3.94Å; F685-I716 HydrophobicContact CZ-CG2 4.14Å; F685-I718 HydrophobicContact CB-CD1 3.78Å; F685-I718 HydrophobicContact CB-CG1 3.87Å; F685-I718 HydrophobicContact CB-CG2 4.43Å; F685-I718 HydrophobicContact CD2-CG1 4Å; F685-I718 HydrophobicContact CG-CG1 4.23Å
686	R	91.7	Very high	91.6	Very high	124 Å²	124	53 Å²	53	47%	0.468	27%	0.267	S	S	.	.			trans	-76.9	76	-177.6	-53.6	-171.5	-178.2	162.2	-2.7	110.9	L680 A681 G683 I688 L689 N706	L680-R686 CarbonylContact O-C 3.46Å; L680-R686 WeakPolarHBondContact O-CA 3.44Å; A681-R686 WeakPolarHBondContact O-CD 3.38Å; A681-R686 VanDerWaalsContact O-CG 3.25Å; A681-R686 WeakPolarHBondContact O-CG 3.33Å; G683-R686 WeakPolarHBondContact O-CG 3.28Å; G683-R686 PolarHBondContact O-NE 3.35Å; R686-I688 VanDerWaalsContact C-N 3.3Å; R686-I688 CarbonylContact C-O 3.51Å; R686-L689 HydrophobicContact CB-CD2 4.48Å; R686-N706 PolarHBondContact O-ND2 3.18Å
687	V	93.8	Very high	91.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.27	C	S	.	.	S	Bend	trans	-77.2	-20.6	179.3	-68.6	0	0	0	0	112.4	F630 L638 L648 L680 F685 N706 F709 I718	F630-V687 HydrophobicContact CE1-CB 4.3Å; F630-V687 HydrophobicContact CE1-CG1 4.46Å; F630-V687 HydrophobicContact CZ-CB 4Å; F630-V687 HydrophobicContact CZ-CG1 3.81Å; L638-V687 HydrophobicContact CD1-CG1 4.09Å; L638-V687 HydrophobicContact CD2-CG1 4.4Å; L648-V687 HydrophobicContact CD2-CG2 4.03Å; L680-V687 HydrophobicContact CB-CG2 4.27Å; L680-V687 HydrophobicContact CD2-CG2 3.79Å; L680-V687 PolarHBondContact O-N 3.01Å; L680-V687 VanDerWaalsContact O-N 3.08Å; F685-V687 VanDerWaalsContact C-N 3.29Å; F685-V687 PolarHBondContact O-N 3.35Å; V687-N706 VanDerWaalsContact O-CB 3.3Å; V687-N706 WeakPolarHBondContact O-CB 3.49Å; V687-N706 PolarHBondContact O-N 2.75Å; V687-N706 VanDerWaalsContact O-N 3.13Å; V687-F709 HydrophobicContact CG1-CD1 4.16Å; V687-F709 HydrophobicContact CG1-CD2 4.4Å; V687-F709 HydrophobicContact CG1-CE1 4.01Å; V687-F709 HydrophobicContact CG1-CE2 4.26Å; V687-F709 HydrophobicContact CG1-CG 4.35Å; V687-F709 HydrophobicContact CG1-CZ 4.06Å; V687-I718 HydrophobicContact CB-CD1 4.46Å; V687-I718 HydrophobicContact CG1-CD1 3.52Å; V687-I718 HydrophobicContact CG2-CD1 4.07Å
688	I	94.9	Very high	91.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.4	162.6	64.3	-177.9	0	0	0	108.8	L648 F651 L677 L680 A681 R686 F703 T704	L648-I688 HydrophobicContact CD2-CG2 4.09Å; F651-I688 HydrophobicContact CD2-CG2 4.29Å; F651-I688 HydrophobicContact CE2-CD1 4.48Å; F651-I688 HydrophobicContact CE2-CG2 4.03Å; F651-I688 HydrophobicContact CZ-CG2 4.27Å; L677-I688 HydrophobicContact CD2-CD1 4.02Å; L680-I688 HydrophobicContact CB-CD1 3.74Å; L680-I688 HydrophobicContact CB-CG1 3.88Å; L680-I688 HydrophobicContact CD1-CD1 4.38Å; L680-I688 PolarHBondContact O-N 3.24Å; A681-I688 WeakPolarHBondContact CA-O 3.5Å; A681-I688 HydrophobicContact CB-CD1 4.17Å; A681-I688 HydrophobicContact CB-CG1 3.72Å; R686-I688 VanDerWaalsContact C-N 3.3Å; R686-I688 CarbonylContact C-O 3.51Å; I688-F703 HydrophobicContact CD1-CB 4.41Å; I688-F703 HydrophobicContact CD1-CD1 3.93Å; I688-F703 HydrophobicContact CD1-CG 4.48Å; I688-F703 HydrophobicContact CG1-CD1 4.48Å; I688-T704 CarbonylContact C-O 3.53Å; I688-T704 VanDerWaalsContact CA-O 3.25Å; I688-T704 WeakPolarHBondContact CA-O 3.42Å; I688-T704 WeakPolarHBondContact CB-O 3.49Å
689	L	94.4	Very high	91.6	Very high	44 Å²	44	57.5 Å²	57.5	23%	0.23	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.4	177.2	-59.4	176.6	0	0	0	109.9	R686 F703 T704 N706	R686-L689 HydrophobicContact CB-CD2 4.48Å; L689-F703 CarbonylContact O-C 3.59Å; L689-F703 WeakPolarHBondContact O-CA 3.35Å; L689-T704 PolarHBondContact N-O 2.97Å; L689-T704 PolarHBondContact O-N 3.28Å; L689-T704 PolarHBondContact O-OG1 3.44Å; L689-N706 HydrophobicContact CD1-CB 4.43Å; L689-N706 HydrophobicContact CD2-CB 4.21Å; L689-N706 HydrophobicContact CG-CB 3.9Å
690	K	95.8	Very high	91.6	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.9	176.3	-166.5	177.5	86.1	76.8	0	111.2	A681 P692 M693 S694 D696 V697 D701 K702 F703	A681-K690 HydrophobicContact CB-CB 4.05Å; K690-P692 VanDerWaalsContact CE-O 3.32Å; K690-P692 WeakPolarHBondContact CE-O 3.22Å; K690-P692 PolarHBondContact NZ-O 3.04Å; K690-P692 CarbonylContact O-C 3.53Å; K690-M693 VanDerWaalsContact O-CG 3.29Å; K690-M693 WeakPolarHBondContact O-CG 3.47Å; K690-M693 PolarHBondContact O-N 3.3Å; K690-S694 WeakPolarHBondContact CE-OG 3.39Å; K690-S694 PolarHBondContact NZ-OG 3.03Å; K690-D696 WeakPolarHBondContact CE-O 3.41Å; K690-D696 PolarHBondContact NZ-O 3.15Å; K690-D696 VanDerWaalsContact NZ-O 3.11Å; K690-V697 HydrophobicContact CD-CG2 4.15Å; K690-D701 HydrophobicContact CD-CB 4.21Å; K690-D701 WeakPolarHBondContact CD-OD2 3.43Å; K690-D701 WeakPolarHBondContact CE-OD2 3.46Å; K690-D701 HydrophobicContact CG-CB 4.05Å; K690-D701 IonicContact NZ-OD1 2.68Å; K690-D701 PolarHBondContact NZ-OD1 2.98Å; K690-D701 IonicContact NZ-OD2 3.32Å; K690-D701 PolarHBondContact NZ-OD2 3.14Å; K690-K702 CarbonylContact C-O 3.26Å; K690-K702 WeakPolarHBondContact CA-O 3.35Å; K690-F703 HydrophobicContact CB-CD1 4.16Å; K690-F703 HydrophobicContact CB-CE1 3.87Å; K690-F703 HydrophobicContact CD-CE1 3.75Å; K690-F703 HydrophobicContact CD-CZ 3.83Å; K690-F703 HydrophobicContact CG-CD1 4.16Å; K690-F703 HydrophobicContact CG-CE1 3.54Å; K690-F703 HydrophobicContact CG-CZ 3.81Å
691	H	94.2	Very high	91.7	Very high	78 Å²	78	63.3 Å²	63.3	36%	0.361	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.9	176.5	-54	-71.5	0	0	0	109.6	K702 T704	H691-K702 HydrophobicContact CB-CB 4.34Å; H691-K702 PolarHBondContact N-O 2.9Å; H691-K702 PolarHBondContact O-N 3.47Å; H691-T704 PolarHBondContact NE2-OG1 3.49Å
692	P	92.2	Very high	91.9	Very high	89 Å²	89	67.2 Å²	67.2	58%	0.578	35%	0.35	S	S	*	.	S	Bend	cis	-66.5	157.2	-8	29.8	-36.6	0	0	0	113	K690 S694 D701	K690-P692 VanDerWaalsContact CE-O 3.32Å; K690-P692 WeakPolarHBondContact CE-O 3.22Å; K690-P692 PolarHBondContact NZ-O 3.04Å; K690-P692 CarbonylContact O-C 3.53Å; P692-S694 PolarHBondContact O-N 3.47Å; P692-D701 WeakPolarHBondContact CD-OD1 3.5Å
693	M	90.3	Very high	92.2	Very high	133 Å²	133	66.1 Å²	66.1	66%	0.655	34%	0.343	S	S	*	.			trans	-75.2	118.9	175.1	-67.9	-167.8	-170.5	0	0	111	K690	K690-M693 VanDerWaalsContact O-CG 3.29Å; K690-M693 WeakPolarHBondContact O-CG 3.47Å; K690-M693 PolarHBondContact O-N 3.3Å
694	S	91.4	Very high	92.8	Very high	66 Å²	66	66.2 Å²	66.2	46%	0.462	34%	0.34	S	S	.	.			trans	-148.6	177.8	169.6	66.6	0	0	0	0	109.7	C682 K690 P692 D696	C682-S694 PolarHBondContact SG-O 3.42Å; K690-S694 WeakPolarHBondContact CE-OG 3.39Å; K690-S694 PolarHBondContact NZ-OG 3.03Å; P692-S694 PolarHBondContact O-N 3.47Å; S694-D696 PolarHBondContact OG-O 3.27Å; S694-D696 VanDerWaalsContact OG-O 3.08Å
695	K	87.8	Confident	93.1	Very high	169 Å²	169	61.6 Å²	61.6	74%	0.735	32%	0.319	S	S	*	.	S	Bend	trans	-74.3	-30.9	177.7	-71.9	-178.5	179.8	174.3	0	112.7	Q678 C682	Q678-K695 WeakPolarHBondContact CG-O 3.2Å; Q678-K695 PolarHBondContact NE2-O 2.91Å; C682-K695 WeakPolarHBondContact CB-O 3.36Å
696	D	89.2	Confident	93.3	Very high	103 Å²	103	61.1 Å²	61.1	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-111.1	167.2	-169.3	-50.8	-59.9	0	0	0	111.4	Q678 K690 S694	Q678-D696 PolarHBondContact NE2-OD1 2.72Å; K690-D696 WeakPolarHBondContact CE-O 3.41Å; K690-D696 PolarHBondContact NZ-O 3.15Å; K690-D696 VanDerWaalsContact NZ-O 3.11Å; S694-D696 PolarHBondContact OG-O 3.27Å; S694-D696 VanDerWaalsContact OG-O 3.08Å
697	V	92.6	Very high	93.2	Very high	13 Å²	13	58.7 Å²	58.7	8%	0.079	32%	0.321	C	S	.	.			trans	-115.8	116.5	-174.9	175.1	0	0	0	0	110.6	F659 R674 L677 Q678 K690 D701 F703	F659-V697 HydrophobicContact CD2-CG1 3.6Å; F659-V697 HydrophobicContact CE2-CG1 3.88Å; R674-V697 HydrophobicContact CB-CB 4.24Å; R674-V697 HydrophobicContact CG-CB 4.15Å; R674-V697 HydrophobicContact CG-CG1 4.14Å; R674-V697 PolarHBondContact NH1-O 3.34Å; L677-V697 HydrophobicContact CB-CG1 4.39Å; L677-V697 HydrophobicContact CB-CG2 4.02Å; L677-V697 HydrophobicContact CD1-CG1 4.14Å; Q678-V697 HydrophobicContact CB-CG2 4.34Å; K690-V697 HydrophobicContact CD-CG2 4.15Å; V697-D701 WeakPolarHBondContact CA-OD2 3.44Å; V697-F703 HydrophobicContact CG1-CE2 4.39Å; V697-F703 HydrophobicContact CG1-CZ 3.81Å; V697-F703 HydrophobicContact CG2-CZ 4.21Å
698	A	92.7	Very high	93	Very high	44 Å²	44	67.2 Å²	67.2	36%	0.364	36%	0.357	S	S	.	.			trans	-105.8	162	177.6	0	0	0	0	0	111.7	T700 D701	A698-T700 PolarHBondContact O-N 2.84Å; A698-D701 PolarHBondContact N-OD2 2.85Å; A698-D701 VanDerWaalsContact O-CB 3.27Å; A698-D701 WeakPolarHBondContact O-CB 3.19Å; A698-D701 PolarHBondContact O-N 3.49Å
699	D	92.2	Very high	92.9	Very high	88 Å²	88	67.9 Å²	67.9	47%	0.471	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.2	-171.6	-54.1	-8.6	0	0	0	112.8	F659 R674 D701	F659-D699 HydrophobicContact CD1-CB 4.39Å; R674-D699 IonicContact CZ-OD1 3.21Å; R674-D699 IonicContact NH1-OD1 3.43Å; R674-D699 PolarHBondContact NH1-OD1 3.5Å; R674-D699 IonicContact NH2-OD1 3.28Å; R674-D699 PolarHBondContact NH2-OD1 2.99Å; R674-D699 IonicContact NH2-OD2 2.83Å; D699-D701 VanDerWaalsContact C-N 3.34Å
700	T	92.8	Very high	92.6	Very high	124 Å²	124	73.4 Å²	73.4	76%	0.761	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.9	176.8	52.7	0	0	0	0	113.4	A698	A698-T700 PolarHBondContact O-N 2.84Å
701	D	95.7	Very high	92.3	Very high	3 Å²	3	75.5 Å²	75.5	2%	0.016	40%	0.396	C	S	.	.			trans	-69.9	142.4	-179.1	-76.2	-38.4	0	0	0	112.3	F659 K690 P692 V697 A698 D699 F703	F659-D701 PolarHBondContact N-O 3Å; K690-D701 HydrophobicContact CD-CB 4.21Å; K690-D701 WeakPolarHBondContact CD-OD2 3.43Å; K690-D701 WeakPolarHBondContact CE-OD2 3.46Å; K690-D701 HydrophobicContact CG-CB 4.05Å; K690-D701 IonicContact NZ-OD1 2.68Å; K690-D701 PolarHBondContact NZ-OD1 2.98Å; K690-D701 IonicContact NZ-OD2 3.32Å; K690-D701 PolarHBondContact NZ-OD2 3.14Å; P692-D701 WeakPolarHBondContact CD-OD1 3.5Å; V697-D701 WeakPolarHBondContact CA-OD2 3.44Å; A698-D701 PolarHBondContact N-OD2 2.85Å; A698-D701 VanDerWaalsContact O-CB 3.27Å; A698-D701 WeakPolarHBondContact O-CB 3.19Å; A698-D701 PolarHBondContact O-N 3.49Å; D699-D701 VanDerWaalsContact C-N 3.34Å; D701-F703 HydrophobicContact CB-CE2 3.83Å; D701-F703 HydrophobicContact CB-CZ 4Å
702	K	96.2	Very high	92.1	Very high	87 Å²	87	82.1 Å²	82.1	38%	0.378	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.6	171.9	-74.1	178	161.9	-149.8	0	111.2	E656 T658 K690 H691	E656-K702 WeakPolarHBondContact OE1-CD 3.26Å; E656-K702 WeakPolarHBondContact OE1-CE 3.14Å; E656-K702 IonicContact OE1-NZ 2.74Å; E656-K702 PolarHBondContact OE1-NZ 3.39Å; T658-K702 HydrophobicContact CG2-CG 3.95Å; K690-K702 CarbonylContact C-O 3.26Å; K690-K702 WeakPolarHBondContact CA-O 3.35Å; H691-K702 HydrophobicContact CB-CB 4.34Å; H691-K702 PolarHBondContact N-O 2.9Å; H691-K702 PolarHBondContact O-N 3.47Å
703	F	97.5	Very high	91.8	Very high	0 Å²	0	83.8 Å²	83.8	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.6	-178.9	-62.2	-88.2	0	0	0	110.4	F651 E656 L657 F659 I662 L677 A681 I688 L689 K690 V697 D701	F651-F703 HydrophobicContact CZ-CB 3.92Å; E656-F703 WeakPolarHBondContact CA-O 3.45Å; L657-F703 PolarHBondContact N-O 3.31Å; L657-F703 PolarHBondContact O-N 2.86Å; F659-F703 HydrophobicContact CB-CE2 4.37Å; I662-F703 HydrophobicContact CD1-CB 4.23Å; I662-F703 HydrophobicContact CD1-CD2 3.9Å; I662-F703 HydrophobicContact CD1-CG 4.24Å; L677-F703 HydrophobicContact CB-CE1 3.99Å; L677-F703 HydrophobicContact CB-CZ 4.02Å; L677-F703 HydrophobicContact CD1-CD2 4.45Å; L677-F703 HydrophobicContact CD1-CE1 4.45Å; L677-F703 HydrophobicContact CD1-CE2 3.85Å; L677-F703 HydrophobicContact CD1-CZ 3.84Å; L677-F703 HydrophobicContact CD2-CD1 4.07Å; L677-F703 HydrophobicContact CD2-CD2 4.38Å; L677-F703 HydrophobicContact CD2-CE1 4.06Å; L677-F703 HydrophobicContact CD2-CE2 4.4Å; L677-F703 HydrophobicContact CD2-CG 4.23Å; L677-F703 HydrophobicContact CD2-CZ 4.24Å; L677-F703 HydrophobicContact CG-CE1 4.39Å; L677-F703 HydrophobicContact CG-CZ 4.26Å; A681-F703 HydrophobicContact CB-CD1 3.97Å; A681-F703 HydrophobicContact CB-CE1 3.85Å; I688-F703 HydrophobicContact CD1-CB 4.41Å; I688-F703 HydrophobicContact CD1-CD1 3.93Å; I688-F703 HydrophobicContact CD1-CG 4.48Å; I688-F703 HydrophobicContact CG1-CD1 4.48Å; L689-F703 CarbonylContact O-C 3.59Å; L689-F703 WeakPolarHBondContact O-CA 3.35Å; K690-F703 HydrophobicContact CB-CD1 4.16Å; K690-F703 HydrophobicContact CB-CE1 3.87Å; K690-F703 HydrophobicContact CD-CE1 3.75Å; K690-F703 HydrophobicContact CD-CZ 3.83Å; K690-F703 HydrophobicContact CG-CD1 4.16Å; K690-F703 HydrophobicContact CG-CE1 3.54Å; K690-F703 HydrophobicContact CG-CZ 3.81Å; V697-F703 HydrophobicContact CG1-CE2 4.39Å; V697-F703 HydrophobicContact CG1-CZ 3.81Å; V697-F703 HydrophobicContact CG2-CZ 4.21Å; D701-F703 HydrophobicContact CB-CE2 3.83Å; D701-F703 HydrophobicContact CB-CZ 4Å
704	T	96.3	Very high	91.8	Very high	22 Å²	22	83.8 Å²	83.8	14%	0.135	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.7	-179	50.5	0	0	0	0	111.3	N655 E656 I688 L689 H691 N706	N655-T704 WeakPolarHBondContact O-CA 3.45Å; E656-T704 HydrophobicContact CB-CG2 3.89Å; E656-T704 HydrophobicContact CG-CG2 3.82Å; I688-T704 CarbonylContact C-O 3.53Å; I688-T704 VanDerWaalsContact CA-O 3.25Å; I688-T704 WeakPolarHBondContact CA-O 3.42Å; I688-T704 WeakPolarHBondContact CB-O 3.49Å; L689-T704 PolarHBondContact N-O 2.97Å; L689-T704 PolarHBondContact O-N 3.28Å; L689-T704 PolarHBondContact O-OG1 3.44Å; H691-T704 PolarHBondContact NE2-OG1 3.49Å; T704-N706 PolarHBondContact O-N 3.01Å
705	F	94.6	Very high	91.8	Very high	67 Å²	67	87.8 Å²	87.8	29%	0.294	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.4	178	174.1	-111.8	0	0	0	112.3	F630 F651 N655 S707	F630-F705 HydrophobicContact CD1-CE1 4.37Å; F630-F705 AromaticContact CD1-CE2 3.64Å; F630-F705 HydrophobicContact CD1-CE2 3.64Å; F630-F705 AromaticContact CD1-CZ 3.4Å; F630-F705 HydrophobicContact CD1-CZ 3.4Å; F630-F705 VanDerWaalsContact CD1-CZ 3.4Å; F630-F705 HydrophobicContact CE1-CD2 4.42Å; F630-F705 AromaticContact CE1-CE2 3.44Å; F630-F705 HydrophobicContact CE1-CE2 3.44Å; F630-F705 VanDerWaalsContact CE1-CE2 3.44Å; F630-F705 AromaticContact CE1-CZ 3.74Å; F630-F705 HydrophobicContact CE1-CZ 3.74Å; F630-F705 HydrophobicContact CG-CZ 4.25Å; F630-F705 HydrophobicContact CZ-CE2 4.37Å; F651-F705 HydrophobicContact CD1-CB 4.24Å; N655-F705 PolarHBondContact O-N 3.22Å; F705-S707 PolarHBondContact O-N 3.14Å; F705-S707 VanDerWaalsContact O-N 3.1Å
706	N	93.6	Very high	92	Very high	23 Å²	23	80 Å²	80	12%	0.123	39%	0.39	C	S	.	.			trans	-86.1	77.3	-179.8	-169.7	3.9	0	0	0	112.5	F630 R686 V687 L689 T704 K708 F709	F630-N706 VanDerWaalsContact CD1-O 3.27Å; F630-N706 WeakPolarHBondContact CD1-O 3.22Å; R686-N706 PolarHBondContact O-ND2 3.18Å; V687-N706 VanDerWaalsContact O-CB 3.3Å; V687-N706 WeakPolarHBondContact O-CB 3.49Å; V687-N706 PolarHBondContact O-N 2.75Å; V687-N706 VanDerWaalsContact O-N 3.13Å; L689-N706 HydrophobicContact CD1-CB 4.43Å; L689-N706 HydrophobicContact CD2-CB 4.21Å; L689-N706 HydrophobicContact CG-CB 3.9Å; T704-N706 PolarHBondContact O-N 3.01Å; N706-K708 PolarHBondContact O-N 3.36Å; N706-K708 PolarHBondContact OD1-N 3.11Å; N706-F709 HydrophobicContact CB-CB 4.24Å; N706-F709 WeakPolarHBondContact O-CB 3.43Å; N706-F709 PolarHBondContact O-N 3.42Å; N706-F709 PolarHBondContact OD1-N 2.64Å
707	S	89.4	Confident	91.9	Very high	73 Å²	73	79.5 Å²	79.5	51%	0.51	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	176.3	61.1	0	0	0	0	115	F705	F705-S707 PolarHBondContact O-N 3.14Å; F705-S707 VanDerWaalsContact O-N 3.1Å
708	K	89.6	Confident	91.7	Very high	179 Å²	179	79.1 Å²	79.1	78%	0.778	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	5	177.3	-62	-178.7	-179.2	177.6	0	113.5	N706 Q710	N706-K708 PolarHBondContact O-N 3.36Å; N706-K708 PolarHBondContact OD1-N 3.11Å; K708-Q710 PolarHBondContact O-N 2.92Å
709	F	91.7	Very high	90.8	Very high	15 Å²	15	77.8 Å²	77.8	7%	0.066	37%	0.367	C	S	.	.			trans	-63.5	128.9	-179.3	178.6	-102	0	0	0	112.1	F630 N634 F685 V687 N706 N711 I716	F630-F709 HydrophobicContact CD1-CB 3.8Å; F630-F709 HydrophobicContact CD1-CD1 4.36Å; F630-F709 HydrophobicContact CD2-CD1 4.01Å; F630-F709 HydrophobicContact CE1-CB 3.91Å; F630-F709 HydrophobicContact CE1-CD1 4.12Å; F630-F709 HydrophobicContact CE1-CG 4.31Å; F630-F709 AromaticContact CE2-CD1 3.75Å; F630-F709 HydrophobicContact CE2-CD1 3.75Å; F630-F709 HydrophobicContact CE2-CE1 4.32Å; F630-F709 HydrophobicContact CG-CB 4.25Å; F630-F709 HydrophobicContact CG-CD1 4.3Å; F630-F709 HydrophobicContact CZ-CB 4.46Å; F630-F709 AromaticContact CZ-CD1 3.81Å; F630-F709 HydrophobicContact CZ-CD1 3.81Å; F630-F709 HydrophobicContact CZ-CE1 4.5Å; F630-F709 HydrophobicContact CZ-CG 4.4Å; N634-F709 PolarHBondContact ND2-O 2.86Å; F685-F709 HydrophobicContact CB-CE2 4.37Å; F685-F709 HydrophobicContact CB-CZ 4.33Å; F685-F709 HydrophobicContact CD1-CZ 4.34Å; V687-F709 HydrophobicContact CG1-CD1 4.16Å; V687-F709 HydrophobicContact CG1-CD2 4.4Å; V687-F709 HydrophobicContact CG1-CE1 4.01Å; V687-F709 HydrophobicContact CG1-CE2 4.26Å; V687-F709 HydrophobicContact CG1-CG 4.35Å; V687-F709 HydrophobicContact CG1-CZ 4.06Å; N706-F709 HydrophobicContact CB-CB 4.24Å; N706-F709 WeakPolarHBondContact O-CB 3.43Å; N706-F709 PolarHBondContact O-N 3.42Å; N706-F709 PolarHBondContact OD1-N 2.64Å; F709-N711 HydrophobicContact CE1-CB 4.26Å; F709-N711 HydrophobicContact CZ-CB 4.21Å; F709-I716 HydrophobicContact CE1-CD1 3.63Å; F709-I716 HydrophobicContact CZ-CD1 3.95Å
710	Q	88.4	Confident	89.6	Confident	160 Å²	160	78.8 Å²	78.8	75%	0.748	37%	0.369	S	S	*	.			trans	-130.4	145.8	176.7	-66.9	-170.5	2.8	0	0	111.7	K708	K708-Q710 PolarHBondContact O-N 2.92Å
711	N	90.1	Very high	88.3	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.262	34%	0.344	S	S	.	.			trans	-153	144.7	172.8	-155.9	-79.1	0	0	0	111.5	K636 F709 M713 I716	K636-N711 PolarHBondContact NZ-O 2.65Å; F709-N711 HydrophobicContact CE1-CB 4.26Å; F709-N711 HydrophobicContact CZ-CB 4.21Å; N711-M713 VanDerWaalsContact C-N 3.28Å; N711-M713 PolarHBondContact O-N 2.69Å; N711-M713 PolarHBondContact OD1-N 2.99Å; N711-I716 HydrophobicContact CB-CD1 3.62Å; N711-I716 HydrophobicContact CB-CG1 4.47Å
712	K	89.5	Confident	86.8	Confident	218 Å²	218	76.5 Å²	76.5	95%	0.948	35%	0.35	S	S	*	.	S	Bend	trans	-61.8	-34.9	175.2	-65.2	-171.9	178.2	-174.1	0	112.3
713	M	87.3	Confident	85.4	Confident	123 Å²	123	74.2 Å²	74.2	61%	0.606	34%	0.344	S	S	*	.			trans	-81.7	137.6	-179.7	-62.5	-88.2	-81.6	0	0	110.7	N711 I716	N711-M713 VanDerWaalsContact C-N 3.28Å; N711-M713 PolarHBondContact O-N 2.69Å; N711-M713 PolarHBondContact OD1-N 2.99Å; M713-I716 HydrophobicContact CB-CG1 4.37Å
714	R	89.8	Confident	84.2	Confident	134 Å²	134	81.7 Å²	81.7	51%	0.506	38%	0.376	S	S	.	.	S	Bend	trans	-75.6	-43.9	170.4	-176.5	171.7	175.9	-84.4	-10.9	111.6	K636 E637	K636-R714 CarbonylContact C-O 3.57Å; K636-R714 WeakPolarHBondContact CA-O 3.4Å; E637-R714 PolarHBondContact N-O 3.17Å; E637-R714 IonicContact OE1-CZ 3.29Å; E637-R714 VanDerWaalsContact OE1-CZ 3.29Å; E637-R714 IonicContact OE1-NH1 2.66Å; E637-R714 PolarHBondContact OE1-NH1 3.15Å; E637-R714 IonicContact OE1-NH2 3.18Å; E637-R714 PolarHBondContact OE1-NH2 3.48Å
715	R	90.8	Very high	83	Confident	150 Å²	150	82.7 Å²	82.7	57%	0.566	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.1	175	-173.9	174.7	-78.8	-167.9	-6.3	109.9	E637	E637-R715 HydrophobicContact CB-CB 4.23Å; E637-R715 HydrophobicContact CB-CG 4.18Å; E637-R715 CarbonylContact O-C 3.6Å; E637-R715 VanDerWaalsContact O-CA 3.32Å; E637-R715 WeakPolarHBondContact O-CA 3.45Å; E637-R715 IonicContact OE2-CZ 2.63Å; E637-R715 IonicContact OE2-NE 3.03Å; E637-R715 PolarHBondContact OE2-NE 3.24Å; E637-R715 IonicContact OE2-NH2 3.02Å; E637-R715 PolarHBondContact OE2-NH2 3.38Å
716	I	91.9	Very high	82.1	Confident	5 Å²	5	81.6 Å²	81.6	3%	0.026	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	-171.4	-52.9	174.8	0	0	0	108.9	K636 E637 L638 L639 F685 F709 N711 M713 I718	K636-I716 HydrophobicContact CB-CD1 4.24Å; K636-I716 HydrophobicContact CD-CD1 4.18Å; K636-I716 HydrophobicContact CG-CD1 4.19Å; E637-I716 PolarHBondContact O-N 2.88Å; L638-I716 WeakPolarHBondContact CA-O 3.43Å; L638-I716 HydrophobicContact CD2-CB 4.11Å; L638-I716 HydrophobicContact CD2-CD1 4.16Å; L639-I716 PolarHBondContact N-O 3.15Å; F685-I716 HydrophobicContact CD1-CG2 3.95Å; F685-I716 HydrophobicContact CD2-CG2 4.03Å; F685-I716 HydrophobicContact CE1-CG2 4.06Å; F685-I716 HydrophobicContact CE2-CG2 4.13Å; F685-I716 HydrophobicContact CG-CG2 3.94Å; F685-I716 HydrophobicContact CZ-CG2 4.14Å; F709-I716 HydrophobicContact CE1-CD1 3.63Å; F709-I716 HydrophobicContact CZ-CD1 3.95Å; N711-I716 HydrophobicContact CB-CD1 3.62Å; N711-I716 HydrophobicContact CB-CG1 4.47Å; M713-I716 HydrophobicContact CB-CG1 4.37Å; I716-I718 HydrophobicContact CG2-CD1 4.37Å; I716-I718 HydrophobicContact CG2-CG1 3.89Å
717	K	88.4	Confident	81.3	Confident	93 Å²	93	86.6 Å²	86.6	40%	0.404	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.5	178.6	-169.5	167.7	-166.6	155.3	0	110.9	L639	L639-K717 HydrophobicContact CB-CG 4.44Å; L639-K717 HydrophobicContact CD2-CB 4.46Å; L639-K717 HydrophobicContact CD2-CD 3.82Å; L639-K717 HydrophobicContact CD2-CG 3.94Å; L639-K717 HydrophobicContact CG-CG 4.26Å
718	I	86.8	Confident	80.9	Confident	4 Å²	4	89.3 Å²	89.3	2%	0.021	40%	0.404	C	S	.	.			trans	-107	73	-178.3	-48.8	-178.3	0	0	0	108.7	L638 L639 V640 Q644 S679 L680 F685 V687 I716	L638-I718 HydrophobicContact CD1-CD1 4.45Å; L638-I718 HydrophobicContact CD2-CD1 4.06Å; L639-I718 PolarHBondContact O-N 3.43Å; V640-I718 HydrophobicContact CG1-CB 4.25Å; Q644-I718 VanDerWaalsContact CD-O 3.27Å; Q644-I718 PolarHBondContact NE2-O 3.05Å; Q644-I718 PolarHBondContact OE1-O 3.01Å; S679-I718 WeakPolarHBondContact O-CG2 3.49Å; L680-I718 HydrophobicContact CD2-CG2 4.26Å; F685-I718 HydrophobicContact CB-CD1 3.78Å; F685-I718 HydrophobicContact CB-CG1 3.87Å; F685-I718 HydrophobicContact CB-CG2 4.43Å; F685-I718 HydrophobicContact CD2-CG1 4Å; F685-I718 HydrophobicContact CG-CG1 4.23Å; V687-I718 HydrophobicContact CB-CD1 4.46Å; V687-I718 HydrophobicContact CG1-CD1 3.52Å; V687-I718 HydrophobicContact CG2-CD1 4.07Å; I716-I718 HydrophobicContact CG2-CD1 4.37Å; I716-I718 HydrophobicContact CG2-CG1 3.89Å
719	N	73.4	Confident	80.4	Confident	17 Å²	17	83.7 Å²	83.7	9%	0.091	38%	0.382	C	S	.	.			trans	-144.1	22.8	-179.7	-151	-27.1	0	0	0	112.2	Q722 T723	N719-Q722 VanDerWaalsContact OD1-CB 3.27Å; N719-Q722 WeakPolarHBondContact OD1-CB 3.37Å; N719-T723 VanDerWaalsContact O-CB 3.28Å; N719-T723 WeakPolarHBondContact O-CB 3.29Å; N719-T723 PolarHBondContact O-N 3.13Å; N719-T723 VanDerWaalsContact O-N 3.07Å; N719-T723 PolarHBondContact O-OG1 2.86Å
720	Q	68.4	Low	80.1	Confident	109 Å²	109	84.6 Å²	84.6	51%	0.509	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.2	-168.4	-63.9	179.9	5.4	0	0	113.4
721	I	64.5	Low	79.9	Confident	47 Å²	47	82.4 Å²	82.4	24%	0.241	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-40	179.9	-53.6	-168.6	0	0	0	111.3	R675 Q678	R675-I721 PolarHBondContact NH2-O 3.06Å; R675-I721 VanDerWaalsContact NH2-O 3.16Å; Q678-I721 HydrophobicContact CG-CD1 4.07Å
722	Q	64.6	Low	79.7	Confident	31 Å²	31	85.4 Å²	85.4	15%	0.145	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.4	177.4	-80.9	171.3	-34.2	0	0	113.2	S641 E672 T676 N719 K724	S641-Q722 PolarHBondContact OG-OE1 3.15Å; E672-Q722 PolarHBondContact OE1-NE2 3.35Å; T676-Q722 PolarHBondContact OG1-NE2 3.27Å; N719-Q722 VanDerWaalsContact OD1-CB 3.27Å; N719-Q722 WeakPolarHBondContact OD1-CB 3.37Å; Q722-K724 VanDerWaalsContact C-N 3.29Å; Q722-K724 PolarHBondContact O-N 2.85Å
723	T	67.6	Low	79.6	Confident	39 Å²	39	75.4 Å²	75.4	24%	0.239	35%	0.345	C	S	.	.	S	Bend	trans	-72.7	-20.7	175.4	-54.5	0	0	0	0	113	N719 E725	N719-T723 VanDerWaalsContact O-CB 3.28Å; N719-T723 WeakPolarHBondContact O-CB 3.29Å; N719-T723 PolarHBondContact O-N 3.13Å; N719-T723 VanDerWaalsContact O-N 3.07Å; N719-T723 PolarHBondContact O-OG1 2.86Å; T723-E725 PolarHBondContact O-N 3.01Å
724	K	70.8	Confident	79.6	Confident	158 Å²	158	70.7 Å²	70.7	69%	0.687	32%	0.321	S	S	*	.	S	Bend	trans	-71.9	126.8	174.7	-80.3	-171.2	173.7	-164.9	0	109.5	R675 Q722	R675-K724 PolarHBondContact NH2-O 2.96Å; Q722-K724 VanDerWaalsContact C-N 3.29Å; Q722-K724 PolarHBondContact O-N 2.85Å
725	E	72.9	Confident	79.5	Confident	42 Å²	42	67.5 Å²	67.5	20%	0.196	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67.6	134	169.7	-174.5	147.6	-103.7	0	0	109.3	K501 Y502 K505 T723 D729 K730	K501-E725 WeakPolarHBondContact CD-OE1 3.32Å; K501-E725 WeakPolarHBondContact CE-OE1 3.41Å; K501-E725 IonicContact NZ-OE1 3.03Å; K501-E725 PolarHBondContact NZ-OE1 3.47Å; Y502-E725 WeakPolarHBondContact CE1-OE2 3.42Å; Y502-E725 PolarHBondContact OH-OE2 2.87Å; K505-E725 IonicContact NZ-OE1 3.98Å; K505-E725 PolarHBondContact NZ-OE1 3.04Å; K505-E725 IonicContact NZ-OE2 3.13Å; T723-E725 PolarHBondContact O-N 3.01Å; E725-D729 HydrophobicContact CG-CB 4.02Å; E725-K730 HydrophobicContact CG-CG 4.08Å
726	T	75.3	Confident	79.3	Confident	44 Å²	44	63.9 Å²	63.9	27%	0.27	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-94.4	159.1	176.5	68.3	0	0	0	0	110.3	K728 D729 K730	T726-K728 PolarHBondContact O-N 2.97Å; T726-D729 WeakPolarHBondContact CB-OD2 3.46Å; T726-D729 PolarHBondContact N-OD2 3.22Å; T726-D729 WeakPolarHBondContact O-CB 3.13Å; T726-D729 PolarHBondContact O-N 3.43Å; T726-D729 PolarHBondContact OG1-N 2.83Å; T726-D729 VanDerWaalsContact OG1-N 3.1Å; T726-D729 PolarHBondContact OG1-OD2 2.86Å; T726-K730 PolarHBondContact O-N 3.42Å; T726-K730 VanDerWaalsContact O-N 3.09Å
727	E	77	Confident	79.1	Confident	129 Å²	129	64.4 Å²	64.4	60%	0.603	31%	0.305	S	S	*	.	H	α-helix	trans	-63	-31.4	173.7	-62.3	-54.3	125.1	0	0	111.8	D729 K730 E731	E727-D729 VanDerWaalsContact C-N 3.35Å; E727-D729 PolarHBondContact O-N 3.17Å; E727-K730 PolarHBondContact O-N 3.37Å; E727-K730 WeakPolarHBondContact OE1-CE 3.35Å; E727-K730 IonicContact OE1-NZ 3.55Å; E727-K730 PolarHBondContact OE1-NZ 3.1Å; E727-K730 WeakPolarHBondContact OE2-CD 3.47Å; E727-K730 IonicContact OE2-NZ 2.7Å; E727-K730 PolarHBondContact OE2-NZ 3.32Å; E727-E731 WeakPolarHBondContact O-CB 3.37Å; E727-E731 PolarHBondContact O-N 3.24Å
728	K	79.5	Confident	79	Confident	130 Å²	130	68 Å²	68	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-57.9	-44.9	168.4	-71.5	-168.1	-176.6	-175.9	0	111.7	E671 T726 K730 E731 H732	E671-K728 IonicContact OE1-NZ 3.56Å; E671-K728 PolarHBondContact OE1-NZ 3.14Å; E671-K728 IonicContact OE2-NZ 3.74Å; E671-K728 PolarHBondContact OE2-NZ 3.18Å; T726-K728 PolarHBondContact O-N 2.97Å; K728-K730 VanDerWaalsContact C-N 3.31Å; K728-K730 PolarHBondContact O-N 2.84Å; K728-E731 PolarHBondContact O-N 2.82Å; K728-H732 WeakPolarHBondContact O-CB 3.41Å; K728-H732 PolarHBondContact O-N 3.24Å
729	D	80.1	Confident	79	Confident	61 Å²	61	72.3 Å²	72.3	33%	0.326	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-35.7	178.7	-61.7	-53.2	0	0	0	112	K501 E725 T726 E727 T733	K501-D729 PolarHBondContact NZ-O 3.11Å; E725-D729 HydrophobicContact CG-CB 4.02Å; T726-D729 WeakPolarHBondContact CB-OD2 3.46Å; T726-D729 PolarHBondContact N-OD2 3.22Å; T726-D729 WeakPolarHBondContact O-CB 3.13Å; T726-D729 PolarHBondContact O-N 3.43Å; T726-D729 PolarHBondContact OG1-N 2.83Å; T726-D729 VanDerWaalsContact OG1-N 3.1Å; T726-D729 PolarHBondContact OG1-OD2 2.86Å; E727-D729 VanDerWaalsContact C-N 3.35Å; E727-D729 PolarHBondContact O-N 3.17Å; D729-T733 PolarHBondContact O-N 3.33Å; D729-T733 PolarHBondContact O-OG1 3.33Å
730	K	84	Confident	79.5	Confident	34 Å²	34	72.8 Å²	72.8	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-68	-51.4	174.8	-68.7	-174.5	-173.8	160.8	0	110.6	E453 E725 T726 E727 K728 H732 T733 Y734	E453-K730 VanDerWaalsContact OE1-CE 3.27Å; E453-K730 WeakPolarHBondContact OE1-CE 3.35Å; E453-K730 IonicContact OE1-NZ 3.27Å; E725-K730 HydrophobicContact CG-CG 4.08Å; T726-K730 PolarHBondContact O-N 3.42Å; T726-K730 VanDerWaalsContact O-N 3.09Å; E727-K730 PolarHBondContact O-N 3.37Å; E727-K730 WeakPolarHBondContact OE1-CE 3.35Å; E727-K730 IonicContact OE1-NZ 3.55Å; E727-K730 PolarHBondContact OE1-NZ 3.1Å; E727-K730 WeakPolarHBondContact OE2-CD 3.47Å; E727-K730 IonicContact OE2-NZ 2.7Å; E727-K730 PolarHBondContact OE2-NZ 3.32Å; K728-K730 VanDerWaalsContact C-N 3.31Å; K728-K730 PolarHBondContact O-N 2.84Å; K730-H732 VanDerWaalsContact C-N 3.28Å; K730-H732 PolarHBondContact O-N 3.28Å; K730-T733 CarbonylContact O-C 3.48Å; K730-T733 WeakPolarHBondContact O-CA 3.44Å; K730-T733 VanDerWaalsContact O-CB 3.24Å; K730-T733 WeakPolarHBondContact O-CB 3.43Å; K730-T733 PolarHBondContact O-N 3.34Å; K730-Y734 HydrophobicContact CB-CE2 4.4Å; K730-Y734 VanDerWaalsContact O-CD2 3.23Å; K730-Y734 WeakPolarHBondContact O-CD2 3.43Å; K730-Y734 PolarHBondContact O-N 2.88Å
731	E	85.4	Confident	80.5	Confident	113 Å²	113	70.6 Å²	70.6	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-35.8	-177.2	-161.3	59.8	-162.6	0	0	112	K450 E727 K728 T733 Y734 E735	K450-E731 IonicContact NZ-OE2 2.7Å; E727-E731 WeakPolarHBondContact O-CB 3.37Å; E727-E731 PolarHBondContact O-N 3.24Å; K728-E731 PolarHBondContact O-N 2.82Å; E731-T733 VanDerWaalsContact C-N 3.29Å; E731-T733 PolarHBondContact O-N 2.83Å; E731-Y734 WeakPolarHBondContact O-CB 3.5Å; E731-Y734 PolarHBondContact O-N 3.45Å; E731-E735 PolarHBondContact O-N 2.91Å
732	H	86.7	Confident	81.6	Confident	112 Å²	112	71 Å²	71	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-34.9	170.1	-170.4	66.3	0	0	0	113	K728 K730 Q736	K728-H732 WeakPolarHBondContact O-CB 3.41Å; K728-H732 PolarHBondContact O-N 3.24Å; K730-H732 VanDerWaalsContact C-N 3.28Å; K730-H732 PolarHBondContact O-N 3.28Å; H732-Q736 PolarHBondContact CD2-NE2 2.93Å; H732-Q736 VanDerWaalsContact CD2-NE2 3.31Å; H732-Q736 PolarHBondContact NE2-NE2 2.87Å; H732-Q736 WeakPolarHBondContact O-CB 3.45Å; H732-Q736 VanDerWaalsContact O-CG 3.31Å; H732-Q736 WeakPolarHBondContact O-CG 3.29Å; H732-Q736 PolarHBondContact O-N 3.47Å
733	T	86	Confident	82.7	Confident	9 Å²	9	77.2 Å²	77.2	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-69.3	-38.6	174.6	-47.6	0	0	0	0	110.9	A497 F498 K501 D729 K730 E731 V737	A497-T733 HydrophobicContact CB-CG2 4.07Å; F498-T733 HydrophobicContact CD1-CG2 4.26Å; F498-T733 HydrophobicContact CD2-CG2 4.41Å; F498-T733 HydrophobicContact CE1-CG2 4Å; F498-T733 HydrophobicContact CE2-CG2 4.14Å; F498-T733 HydrophobicContact CG-CG2 4.44Å; F498-T733 HydrophobicContact CZ-CG2 3.91Å; K501-T733 PolarHBondContact NZ-OG1 3.5Å; D729-T733 PolarHBondContact O-N 3.33Å; D729-T733 PolarHBondContact O-OG1 3.33Å; K730-T733 CarbonylContact O-C 3.48Å; K730-T733 WeakPolarHBondContact O-CA 3.44Å; K730-T733 VanDerWaalsContact O-CB 3.24Å; K730-T733 WeakPolarHBondContact O-CB 3.43Å; K730-T733 PolarHBondContact O-N 3.34Å; E731-T733 VanDerWaalsContact C-N 3.29Å; E731-T733 PolarHBondContact O-N 2.83Å; T733-V737 WeakPolarHBondContact O-CG2 3.2Å; T733-V737 PolarHBondContact O-N 3.35Å
734	Y	88.2	Confident	83.7	Confident	23 Å²	23	78.6 Å²	78.6	9%	0.09	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-49.5	173.4	-79.4	-66.3	0	0	0	112.2	K450 E453 M494 F498 K730 E731 V737 R738	K450-Y734 HydrophobicContact CD-CD1 4.19Å; K450-Y734 HydrophobicContact CD-CE1 3.38Å; K450-Y734 HydrophobicContact CD-CE2 3.83Å; K450-Y734 WeakPolarHBondContact CD-OH 3.24Å; K450-Y734 HydrophobicContact CG-CE1 4.5Å; K450-Y734 VanDerWaalsContact NZ-CD2 3.29Å; E453-Y734 WeakPolarHBondContact CB-OH 3.39Å; E453-Y734 WeakPolarHBondContact OE2-CE2 3.42Å; E453-Y734 PolarHBondContact OE2-OH 3.41Å; M494-Y734 HydrophobicContact CE-CD1 3.33Å; M494-Y734 HydrophobicContact CE-CE1 3.63Å; M494-Y734 HydrophobicContact CE-CG 4.3Å; M494-Y734 HydrophobicContact CG-CE1 4.09Å; M494-Y734 HydrophobicContact SD-CD1 3.6Å; M494-Y734 HydrophobicContact SD-CE1 3.46Å; M494-Y734 WeakPolarHBondContact SD-CE1 3.46Å; F498-Y734 HydrophobicContact CE2-CD1 4.38Å; F498-Y734 AromaticContact CE2-CE1 3.72Å; F498-Y734 HydrophobicContact CE2-CE1 3.72Å; F498-Y734 AromaticContact CE2-CE2 3.92Å; F498-Y734 HydrophobicContact CE2-CE2 3.92Å; F498-Y734 AromaticContact CE2-CZ 3.42Å; F498-Y734 VanDerWaalsContact CE2-CZ 3.42Å; F498-Y734 WeakPolarHBondContact CE2-OH 3.5Å; F498-Y734 HydrophobicContact CZ-CD2 4.04Å; F498-Y734 HydrophobicContact CZ-CE1 4.13Å; F498-Y734 AromaticContact CZ-CE2 3.45Å; F498-Y734 HydrophobicContact CZ-CE2 3.45Å; F498-Y734 VanDerWaalsContact CZ-CE2 3.45Å; F498-Y734 AromaticContact CZ-CZ 3.46Å; F498-Y734 VanDerWaalsContact CZ-CZ 3.46Å; K730-Y734 HydrophobicContact CB-CE2 4.4Å; K730-Y734 VanDerWaalsContact O-CD2 3.23Å; K730-Y734 WeakPolarHBondContact O-CD2 3.43Å; K730-Y734 PolarHBondContact O-N 2.88Å; E731-Y734 WeakPolarHBondContact O-CB 3.5Å; E731-Y734 PolarHBondContact O-N 3.45Å; Y734-V737 PolarHBondContact O-N 2.85Å; Y734-R738 PolarHBondContact O-N 3.32Å
735	E	86.3	Confident	84.6	Confident	68 Å²	68	71.5 Å²	71.5	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-39.2	-178.4	-175.2	54.6	-152.7	0	0	112.1	E731 V737 R738 Q739	E731-E735 PolarHBondContact O-N 2.91Å; E735-V737 VanDerWaalsContact C-N 3.34Å; E735-V737 PolarHBondContact O-N 2.91Å; E735-R738 PolarHBondContact O-N 2.91Å; E735-R738 WeakPolarHBondContact OE2-CD 3.37Å; E735-R738 IonicContact OE2-NH1 3.89Å; E735-Q739 WeakPolarHBondContact O-CG 3.43Å; E735-Q739 PolarHBondContact O-N 2.78Å; E735-Q739 WeakPolarHBondContact OE1-CG 3.2Å; E735-Q739 PolarHBondContact OE1-NE2 3.16Å
736	Q	87.1	Confident	85.3	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-44.6	172.5	-80.4	-175.5	6.3	0	0	112.5	H732 G740	H732-Q736 PolarHBondContact CD2-NE2 2.93Å; H732-Q736 VanDerWaalsContact CD2-NE2 3.31Å; H732-Q736 PolarHBondContact NE2-NE2 2.87Å; H732-Q736 WeakPolarHBondContact O-CB 3.45Å; H732-Q736 VanDerWaalsContact O-CG 3.31Å; H732-Q736 WeakPolarHBondContact O-CG 3.29Å; H732-Q736 PolarHBondContact O-N 3.47Å; Q736-G740 PolarHBondContact O-N 3.14Å
737	V	88	Confident	85.9	Confident	16 Å²	16	71.1 Å²	71.1	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-69.2	-40.9	177.3	174.7	0	0	0	0	110.8	D493 M494 A497 T733 Y734 E735 Q739 G740 R741	D493-V737 HydrophobicContact CB-CG1 4.46Å; D493-V737 WeakPolarHBondContact OD2-CG1 3.16Å; M494-V737 HydrophobicContact CE-CB 3.48Å; M494-V737 VanDerWaalsContact CE-CB 3.48Å; M494-V737 HydrophobicContact CE-CG1 3.67Å; M494-V737 HydrophobicContact CE-CG2 3.77Å; A497-V737 HydrophobicContact CB-CG2 3.36Å; T733-V737 WeakPolarHBondContact O-CG2 3.2Å; T733-V737 PolarHBondContact O-N 3.35Å; Y734-V737 PolarHBondContact O-N 2.85Å; E735-V737 VanDerWaalsContact C-N 3.34Å; E735-V737 PolarHBondContact O-N 2.91Å; V737-Q739 VanDerWaalsContact C-N 3.35Å; V737-Q739 PolarHBondContact O-N 3.42Å; V737-G740 CarbonylContact O-C 3.51Å; V737-G740 WeakPolarHBondContact O-CA 3.5Å; V737-G740 PolarHBondContact O-N 2.77Å; V737-G740 VanDerWaalsContact O-N 3.13Å; V737-R741 HydrophobicContact CG1-CG 4.42Å; V737-R741 WeakPolarHBondContact O-CG 3.34Å; V737-R741 PolarHBondContact O-N 3.21Å
738	R	86.2	Confident	86.6	Confident	169 Å²	169	65.5 Å²	65.5	64%	0.638	31%	0.312	S	S	*	.	H	α-helix	trans	-57.5	-45.7	175.9	-174.5	-174	177	-175.2	-0.8	111.8	Y734 E735 R741 V742	Y734-R738 PolarHBondContact O-N 3.32Å; E735-R738 PolarHBondContact O-N 2.91Å; E735-R738 WeakPolarHBondContact OE2-CD 3.37Å; E735-R738 IonicContact OE2-NH1 3.89Å; R738-R741 WeakPolarHBondContact O-CB 3.41Å; R738-R741 PolarHBondContact O-N 2.71Å; R738-V742 PolarHBondContact O-N 3.23Å
739	Q	86.1	Confident	87	Confident	93 Å²	93	59.3 Å²	59.3	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-41.8	174.2	-67.3	175.6	10.8	0	0	111.4	E735 V737 R741 V742 Y743	E735-Q739 WeakPolarHBondContact O-CG 3.43Å; E735-Q739 PolarHBondContact O-N 2.78Å; E735-Q739 WeakPolarHBondContact OE1-CG 3.2Å; E735-Q739 PolarHBondContact OE1-NE2 3.16Å; V737-Q739 VanDerWaalsContact C-N 3.35Å; V737-Q739 PolarHBondContact O-N 3.42Å; Q739-R741 VanDerWaalsContact C-N 3.27Å; Q739-R741 PolarHBondContact O-N 3.4Å; Q739-V742 WeakPolarHBondContact O-CB 3.45Å; Q739-V742 PolarHBondContact O-N 3.12Å; Q739-V742 VanDerWaalsContact O-N 3.13Å; Q739-Y743 WeakPolarHBondContact O-CD2 3.43Å; Q739-Y743 PolarHBondContact O-N 3.01Å
740	G	85.7	Confident	87.2	Confident	28 Å²	28	58.1 Å²	58.1	29%	0.289	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-38.2	172.8	0	0	0	0	0	113.7	Q736 V737 Y743 Q744	Q736-G740 PolarHBondContact O-N 3.14Å; V737-G740 CarbonylContact O-C 3.51Å; V737-G740 WeakPolarHBondContact O-CA 3.5Å; V737-G740 PolarHBondContact O-N 2.77Å; V737-G740 VanDerWaalsContact O-N 3.13Å; G740-Y743 PolarHBondContact O-N 3.18Å; G740-Q744 WeakPolarHBondContact O-CG 3.32Å; G740-Q744 PolarHBondContact O-N 3.46Å
741	R	88.9	Confident	87.4	Confident	62 Å²	62	63.8 Å²	63.8	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-41.2	175.4	-73.4	179.6	177.2	176.2	1.9	112.2	D493 V737 R738 Q739 Y743 Q744 V745 F774	D493-R741 IonicContact OD1-CZ 3.88Å; D493-R741 IonicContact OD1-NE 2.92Å; D493-R741 IonicContact OD1-NH2 2.63Å; D493-R741 PolarHBondContact OD1-NH2 3.41Å; D493-R741 VanDerWaalsContact OD2-CG 3.28Å; D493-R741 WeakPolarHBondContact OD2-CG 3.18Å; D493-R741 IonicContact OD2-CZ 3.32Å; D493-R741 IonicContact OD2-NE 2.85Å; D493-R741 PolarHBondContact OD2-NE 2.65Å; D493-R741 IonicContact OD2-NH2 3.7Å; D493-R741 PolarHBondContact OD2-NH2 3.47Å; V737-R741 HydrophobicContact CG1-CG 4.42Å; V737-R741 WeakPolarHBondContact O-CG 3.34Å; V737-R741 PolarHBondContact O-N 3.21Å; R738-R741 WeakPolarHBondContact O-CB 3.41Å; R738-R741 PolarHBondContact O-N 2.71Å; Q739-R741 VanDerWaalsContact C-N 3.27Å; Q739-R741 PolarHBondContact O-N 3.4Å; R741-Y743 PolarHBondContact O-N 3Å; R741-Q744 WeakPolarHBondContact O-CB 3.4Å; R741-Q744 PolarHBondContact O-N 2.77Å; R741-Q744 VanDerWaalsContact O-N 3.13Å; R741-V745 WeakPolarHBondContact O-CG2 3.41Å; R741-V745 PolarHBondContact O-N 2.77Å; R741-F774 HydrophobicContact CB-CE1 3.86Å; R741-F774 HydrophobicContact CB-CE2 3.93Å; R741-F774 HydrophobicContact CB-CZ 3.51Å; R741-F774 HydrophobicContact CG-CD1 3.79Å; R741-F774 HydrophobicContact CG-CD2 4.11Å; R741-F774 HydrophobicContact CG-CE1 3.59Å; R741-F774 HydrophobicContact CG-CE2 3.89Å; R741-F774 HydrophobicContact CG-CG 4.06Å; R741-F774 HydrophobicContact CG-CZ 3.63Å
742	V	87.2	Confident	87.7	Confident	55 Å²	55	58.5 Å²	58.5	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-55.9	-51.5	175.7	177	0	0	0	0	110.4	R738 Q739 Q744 V745 D746	R738-V742 PolarHBondContact O-N 3.23Å; Q739-V742 WeakPolarHBondContact O-CB 3.45Å; Q739-V742 PolarHBondContact O-N 3.12Å; Q739-V742 VanDerWaalsContact O-N 3.13Å; V742-Q744 VanDerWaalsContact C-N 3.29Å; V742-Q744 PolarHBondContact O-N 3.42Å; V742-V745 PolarHBondContact O-N 3.28Å; V742-D746 VanDerWaalsContact O-CG 3.29Å; V742-D746 PolarHBondContact O-N 3.01Å
743	Y	88.5	Confident	87.7	Confident	163 Å²	163	53.1 Å²	53.1	64%	0.639	25%	0.252	S	S	*	.	H	α-helix	trans	-63.8	-32	177.8	-58.4	-58.6	0	0	0	113.3	Q739 G740 R741 A747	Q739-Y743 WeakPolarHBondContact O-CD2 3.43Å; Q739-Y743 PolarHBondContact O-N 3.01Å; G740-Y743 PolarHBondContact O-N 3.18Å; R741-Y743 PolarHBondContact O-N 3Å; Y743-A747 WeakPolarHBondContact O-CB 3.46Å; Y743-A747 PolarHBondContact O-N 2.98Å
744	Q	88	Confident	87.7	Confident	68 Å²	68	58.5 Å²	58.5	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-68.7	-40.4	173.3	-75.1	-177.1	49.5	0	0	112.6	G740 R741 V742 S748 L772 F774	G740-Q744 WeakPolarHBondContact O-CG 3.32Å; G740-Q744 PolarHBondContact O-N 3.46Å; R741-Q744 WeakPolarHBondContact O-CB 3.4Å; R741-Q744 PolarHBondContact O-N 2.77Å; R741-Q744 VanDerWaalsContact O-N 3.13Å; V742-Q744 VanDerWaalsContact C-N 3.29Å; V742-Q744 PolarHBondContact O-N 3.42Å; Q744-S748 WeakPolarHBondContact O-CB 3.25Å; Q744-S748 PolarHBondContact O-N 3.24Å; Q744-S748 PolarHBondContact O-OG 3.25Å; Q744-L772 HydrophobicContact CB-CD2 4.3Å; Q744-F774 HydrophobicContact CB-CE1 4.27Å
745	V	89.6	Confident	87.6	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-49.3	173.1	176.2	0	0	0	0	109.8	R741 V742 A747 S748 T749 L772 F774 L781 R784	R741-V745 WeakPolarHBondContact O-CG2 3.41Å; R741-V745 PolarHBondContact O-N 2.77Å; V742-V745 PolarHBondContact O-N 3.28Å; V745-A747 PolarHBondContact O-N 3.36Å; V745-S748 PolarHBondContact O-N 3.19Å; V745-T749 VanDerWaalsContact O-CB 3.28Å; V745-T749 WeakPolarHBondContact O-CB 3.42Å; V745-T749 PolarHBondContact O-N 3.04Å; V745-T749 PolarHBondContact O-OG1 3.45Å; V745-L772 HydrophobicContact CG2-CD1 4.03Å; V745-L772 HydrophobicContact CG2-CD2 4.17Å; V745-F774 HydrophobicContact CG2-CZ 3.9Å; V745-L781 HydrophobicContact CG1-CD2 3.92Å; V745-L781 HydrophobicContact CG2-CD2 3.82Å; V745-R784 HydrophobicContact CB-CG 4.37Å; V745-R784 HydrophobicContact CG1-CB 4.25Å; V745-R784 HydrophobicContact CG1-CG 3.85Å
746	D	87.8	Confident	87.7	Confident	29 Å²	29	64.6 Å²	64.6	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-51.6	-179.7	-64.7	-9	0	0	0	111.5	V742 S748 T749 V750 R784 M788	V742-D746 VanDerWaalsContact O-CG 3.29Å; V742-D746 PolarHBondContact O-N 3.01Å; D746-S748 VanDerWaalsContact C-N 3.35Å; D746-S748 PolarHBondContact O-N 2.83Å; D746-T749 PolarHBondContact O-N 3.33Å; D746-V750 WeakPolarHBondContact O-CB 3.33Å; D746-V750 WeakPolarHBondContact O-CG2 3.46Å; D746-V750 PolarHBondContact O-N 3.31Å; D746-R784 IonicContact OD1-CZ 2.84Å; D746-R784 IonicContact OD1-NE 2.68Å; D746-R784 PolarHBondContact OD1-NE 2.95Å; D746-R784 IonicContact OD1-NH2 2.75Å; D746-R784 PolarHBondContact OD1-NH2 2.87Å; D746-R784 IonicContact OD2-CZ 2.77Å; D746-R784 IonicContact OD2-NE 3.63Å; D746-R784 IonicContact OD2-NH2 2.69Å; D746-R784 PolarHBondContact OD2-NH2 3.49Å; D746-M788 HydrophobicContact CB-CE 4.18Å; D746-M788 HydrophobicContact CB-SD 4.36Å
747	A	87.9	Confident	87.5	Confident	49 Å²	49	66.5 Å²	66.5	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-37	-178.7	0	0	0	0	0	112.7	Y743 V745 R751	Y743-A747 WeakPolarHBondContact O-CB 3.46Å; Y743-A747 PolarHBondContact O-N 2.98Å; V745-A747 PolarHBondContact O-N 3.36Å; A747-R751 VanDerWaalsContact O-CB 3.24Å; A747-R751 WeakPolarHBondContact O-CB 3.41Å; A747-R751 PolarHBondContact O-N 3.45Å
748	S	90.5	Very high	87.3	Confident	10 Å²	10	69.2 Å²	69.2	7%	0.07	32%	0.321	C	S	.	.	H	α-helix	trans	-71.7	-42.7	176.5	-54.5	0	0	0	0	111	Q744 V745 D746 R751 I752	Q744-S748 WeakPolarHBondContact O-CB 3.25Å; Q744-S748 PolarHBondContact O-N 3.24Å; Q744-S748 PolarHBondContact O-OG 3.25Å; V745-S748 PolarHBondContact O-N 3.19Å; D746-S748 VanDerWaalsContact C-N 3.35Å; D746-S748 PolarHBondContact O-N 2.83Å; S748-R751 PolarHBondContact O-N 3.07Å; S748-R751 VanDerWaalsContact O-N 3.17Å; S748-I752 WeakPolarHBondContact O-CB 3.43Å; S748-I752 VanDerWaalsContact O-CG1 3.29Å; S748-I752 WeakPolarHBondContact O-CG1 3.29Å; S748-I752 PolarHBondContact O-N 3.29Å
749	T	88	Confident	87.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-49.8	175.9	-53.6	0	0	0	0	110.4	V745 D746 R751 I752 M753 L764 L768 I785 M788 L795	V745-T749 VanDerWaalsContact O-CB 3.28Å; V745-T749 WeakPolarHBondContact O-CB 3.42Å; V745-T749 PolarHBondContact O-N 3.04Å; V745-T749 PolarHBondContact O-OG1 3.45Å; D746-T749 PolarHBondContact O-N 3.33Å; T749-R751 VanDerWaalsContact C-N 3.31Å; T749-R751 PolarHBondContact O-N 3.18Å; T749-I752 PolarHBondContact O-N 2.92Å; T749-M753 HydrophobicContact CG2-CG 4.29Å; T749-M753 WeakPolarHBondContact O-CB 3.25Å; T749-M753 VanDerWaalsContact O-CG 3.3Å; T749-M753 WeakPolarHBondContact O-CG 3.47Å; T749-M753 PolarHBondContact O-N 3.39Å; T749-L764 HydrophobicContact CG2-CD1 4.5Å; T749-L764 HydrophobicContact CG2-CD2 4.25Å; T749-L768 WeakPolarHBondContact OG1-CD2 3.16Å; T749-I785 HydrophobicContact CG2-CG1 4.41Å; T749-M788 HydrophobicContact CG2-CE 4.32Å; T749-M788 HydrophobicContact CG2-SD 4.06Å; T749-L795 HydrophobicContact CG2-CD1 3.66Å
750	V	85.6	Confident	87.5	Confident	37 Å²	37	59.4 Å²	59.4	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-57.2	-43.4	173.8	167.5	0	0	0	0	111	D746 K754 M788 L794 Y804	D746-V750 WeakPolarHBondContact O-CB 3.33Å; D746-V750 WeakPolarHBondContact O-CG2 3.46Å; D746-V750 PolarHBondContact O-N 3.31Å; V750-K754 WeakPolarHBondContact O-CA 3.47Å; V750-K754 WeakPolarHBondContact O-CB 3.48Å; V750-K754 PolarHBondContact O-N 3.45Å; V750-M788 HydrophobicContact CG2-CE 3.79Å; V750-L794 HydrophobicContact CG1-CD1 4.21Å; V750-L794 HydrophobicContact CG2-CD1 4.11Å; V750-Y804 HydrophobicContact CG1-CE2 4.13Å
751	R	88.8	Confident	87.5	Confident	152 Å²	152	60.1 Å²	60.1	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-64.8	-50.9	180	-170.6	-171.1	-56.1	164.3	2.6	112.4	A747 S748 T749 K754 M755	A747-R751 VanDerWaalsContact O-CB 3.24Å; A747-R751 WeakPolarHBondContact O-CB 3.41Å; A747-R751 PolarHBondContact O-N 3.45Å; S748-R751 PolarHBondContact O-N 3.07Å; S748-R751 VanDerWaalsContact O-N 3.17Å; T749-R751 VanDerWaalsContact C-N 3.31Å; T749-R751 PolarHBondContact O-N 3.18Å; R751-K754 PolarHBondContact O-N 2.86Å; R751-M755 WeakPolarHBondContact O-CB 3.27Å; R751-M755 PolarHBondContact O-N 2.81Å
752	I	90	Very high	87.5	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-50.6	178.3	-67.6	162.2	0	0	0	109.7	S748 T749 M755 K756 L759 L764 E767 L768	S748-I752 WeakPolarHBondContact O-CB 3.43Å; S748-I752 VanDerWaalsContact O-CG1 3.29Å; S748-I752 WeakPolarHBondContact O-CG1 3.29Å; S748-I752 PolarHBondContact O-N 3.29Å; T749-I752 PolarHBondContact O-N 2.92Å; I752-M755 PolarHBondContact O-N 2.71Å; I752-M755 VanDerWaalsContact O-N 3.16Å; I752-K756 HydrophobicContact CG2-CG 4.25Å; I752-K756 WeakPolarHBondContact O-CB 3.25Å; I752-K756 WeakPolarHBondContact O-CG 3.24Å; I752-K756 PolarHBondContact O-N 3.29Å; I752-L759 HydrophobicContact CG2-CD2 3.84Å; I752-L764 HydrophobicContact CB-CD1 4.37Å; I752-L764 HydrophobicContact CG2-CD1 3.82Å; I752-E767 HydrophobicContact CD1-CB 4.05Å; I752-E767 HydrophobicContact CG2-CB 4.28Å; I752-L768 HydrophobicContact CD1-CD2 3.78Å; I752-L768 HydrophobicContact CD1-CG 4.01Å
753	M	87	Confident	87.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-36.4	-177	-69.9	-60	-55.9	0	0	112.3	T749 M755 K757 L759 L764 L795 Y802 Y804	T749-M753 HydrophobicContact CG2-CG 4.29Å; T749-M753 WeakPolarHBondContact O-CB 3.25Å; T749-M753 VanDerWaalsContact O-CG 3.3Å; T749-M753 WeakPolarHBondContact O-CG 3.47Å; T749-M753 PolarHBondContact O-N 3.39Å; M753-M755 VanDerWaalsContact C-N 3.25Å; M753-M755 PolarHBondContact O-N 3.27Å; M753-K757 VanDerWaalsContact O-CA 3.22Å; M753-K757 WeakPolarHBondContact O-CA 3.12Å; M753-K757 PolarHBondContact O-N 3.18Å; M753-L759 HydrophobicContact SD-CB 3.81Å; M753-L764 HydrophobicContact CG-CD1 4.07Å; M753-L764 HydrophobicContact CG-CD2 4.34Å; M753-L764 HydrophobicContact SD-CD1 4.03Å; M753-L764 HydrophobicContact SD-CD2 4.16Å; M753-L795 HydrophobicContact CB-CD2 3.63Å; M753-L795 HydrophobicContact CE-CD2 4.08Å; M753-L795 HydrophobicContact CG-CD2 3.62Å; M753-Y802 VanDerWaalsContact CE-C 3.44Å; M753-Y802 WeakPolarHBondContact CE-O 3.45Å; M753-Y804 HydrophobicContact CB-CD2 3.76Å; M753-Y804 HydrophobicContact CB-CG 4.28Å; M753-Y804 WeakPolarHBondContact O-CB 3.38Å
754	K	85.3	Confident	87.7	Confident	121 Å²	121	54.6 Å²	54.6	53%	0.526	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-33.2	171	-176.5	176.7	178.9	-178.8	0	112.3	V750 R751 K757 Y804	V750-K754 WeakPolarHBondContact O-CA 3.47Å; V750-K754 WeakPolarHBondContact O-CB 3.48Å; V750-K754 PolarHBondContact O-N 3.45Å; R751-K754 PolarHBondContact O-N 2.86Å; K754-K757 WeakPolarHBondContact O-CD 3.48Å; K754-K757 WeakPolarHBondContact O-CE 3.37Å; K754-K757 PolarHBondContact O-NZ 3.14Å; K754-Y804 HydrophobicContact CB-CD1 4.25Å; K754-Y804 HydrophobicContact CB-CD2 4.34Å; K754-Y804 HydrophobicContact CB-CE1 3.81Å; K754-Y804 HydrophobicContact CB-CE2 3.91Å; K754-Y804 HydrophobicContact CB-CG 4.49Å; K754-Y804 HydrophobicContact CG-CE1 3.86Å
755	M	88	Confident	87.8	Confident	131 Å²	131	52.3 Å²	52.3	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-79.9	-55.1	177.9	-171.1	174.3	79.4	0	0	112.2	R751 I752 M753	R751-M755 WeakPolarHBondContact O-CB 3.27Å; R751-M755 PolarHBondContact O-N 2.81Å; I752-M755 PolarHBondContact O-N 2.71Å; I752-M755 VanDerWaalsContact O-N 3.16Å; M753-M755 VanDerWaalsContact C-N 3.25Å; M753-M755 PolarHBondContact O-N 3.27Å
756	K	87.5	Confident	87.8	Confident	88 Å²	88	54.7 Å²	54.7	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-80.9	-21.3	-172.1	-58.2	-91.1	178	156.1	0	113.5	I752 K758 L759 E767	I752-K756 HydrophobicContact CG2-CG 4.25Å; I752-K756 WeakPolarHBondContact O-CB 3.25Å; I752-K756 WeakPolarHBondContact O-CG 3.24Å; I752-K756 PolarHBondContact O-N 3.29Å; K756-K758 PolarHBondContact O-N 3.28Å; K756-L759 HydrophobicContact CB-CD1 3.97Å; K756-L759 HydrophobicContact CD-CD1 4.05Å; K756-L759 HydrophobicContact CG-CD1 4.07Å; K756-E767 WeakPolarHBondContact CE-OE1 3.4Å; K756-E767 IonicContact NZ-OE1 3.27Å; K756-E767 PolarHBondContact NZ-OE1 2.82Å; K756-E767 IonicContact NZ-OE2 2.65Å
757	K	83.1	Confident	88	Confident	114 Å²	114	56 Å²	56	50%	0.496	29%	0.287	S	S	.	.	S	Bend	trans	62.6	-38.8	-176.5	-52.8	-56.4	-171.4	-169.8	0	116.6	M753 K754 F803 Y804	M753-K757 VanDerWaalsContact O-CA 3.22Å; M753-K757 WeakPolarHBondContact O-CA 3.12Å; M753-K757 PolarHBondContact O-N 3.18Å; K754-K757 WeakPolarHBondContact O-CD 3.48Å; K754-K757 WeakPolarHBondContact O-CE 3.37Å; K754-K757 PolarHBondContact O-NZ 3.14Å; K757-F803 WeakPolarHBondContact O-CA 3.43Å; K757-Y804 PolarHBondContact O-N 3.29Å
758	K	84	Confident	88.1	Confident	73 Å²	73	53.6 Å²	53.6	32%	0.317	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.8	176.7	179.9	-171.5	175.6	-170.8	0	108.8	K756 Y801 Y802 F803	K756-K758 PolarHBondContact O-N 3.28Å; K758-Y801 HydrophobicContact CD-CD1 4.2Å; K758-Y801 HydrophobicContact CD-CG 4.45Å; K758-Y801 HydrophobicContact CG-CD1 3.96Å; K758-Y801 HydrophobicContact CG-CG 4.32Å; K758-Y802 WeakPolarHBondContact CA-O 3.19Å; K758-F803 HydrophobicContact CB-CD1 4.16Å; K758-F803 HydrophobicContact CB-CE1 4.01Å; K758-F803 HydrophobicContact CD-CE1 3.72Å; K758-F803 HydrophobicContact CD-CE2 4.49Å; K758-F803 HydrophobicContact CD-CZ 3.63Å; K758-F803 HydrophobicContact CG-CD1 4.19Å; K758-F803 HydrophobicContact CG-CE1 3.7Å; K758-F803 HydrophobicContact CG-CE2 4.24Å; K758-F803 HydrophobicContact CG-CZ 3.74Å
759	L	85.7	Confident	87.9	Confident	21 Å²	21	56.3 Å²	56.3	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	144.8	177.1	-143.7	69.2	0	0	0	110.8	I752 M753 K756 A763 L764 E767 Y801 Y802	I752-L759 HydrophobicContact CG2-CD2 3.84Å; M753-L759 HydrophobicContact SD-CB 3.81Å; K756-L759 HydrophobicContact CB-CD1 3.97Å; K756-L759 HydrophobicContact CD-CD1 4.05Å; K756-L759 HydrophobicContact CG-CD1 4.07Å; L759-A763 HydrophobicContact CD1-CB 4.49Å; L759-A763 HydrophobicContact CD2-CB 4.38Å; L759-A763 HydrophobicContact CG-CB 3.94Å; L759-L764 HydrophobicContact CD2-CB 3.97Å; L759-L764 HydrophobicContact CD2-CD1 4.03Å; L759-E767 HydrophobicContact CD2-CG 4.35Å; L759-Y801 CarbonylContact O-C 3.56Å; L759-Y801 VanDerWaalsContact O-CA 3.27Å; L759-Y801 WeakPolarHBondContact O-CA 3.47Å; L759-Y802 PolarHBondContact N-O 3.02Å; L759-Y802 VanDerWaalsContact N-O 3.1Å; L759-Y802 PolarHBondContact O-N 2.98Å
760	S	89.5	Confident	87.7	Confident	35 Å²	35	60.4 Å²	60.4	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	160.4	175.8	64.7	0	0	0	0	110.7	N762 A763 L764 T800	S760-N762 PolarHBondContact O-N 3.37Å; S760-A763 PolarHBondContact O-N 3.5Å; S760-A763 VanDerWaalsContact OG-CB 3.25Å; S760-A763 WeakPolarHBondContact OG-CB 3.49Å; S760-A763 PolarHBondContact OG-N 3.46Å; S760-L764 WeakPolarHBondContact O-CB 3.42Å; S760-L764 PolarHBondContact O-N 3.21Å; S760-T800 VanDerWaalsContact CA-O 3.28Å; S760-T800 WeakPolarHBondContact CA-O 3.46Å
761	H	86	Confident	87.6	Confident	44 Å²	44	62.4 Å²	62.4	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-54.5	179.7	-179.4	84.3	0	0	0	112.2	A763 L764 I765 T800 Y802	H761-A763 VanDerWaalsContact C-N 3.29Å; H761-A763 PolarHBondContact O-N 3.34Å; H761-L764 PolarHBondContact O-N 3.15Å; H761-L764 VanDerWaalsContact O-N 3.08Å; H761-I765 WeakPolarHBondContact O-CG1 3.42Å; H761-I765 PolarHBondContact O-N 3.14Å; H761-T800 PolarHBondContact N-O 2.81Å; H761-T800 VanDerWaalsContact N-O 3.09Å; H761-Y802 HydrophobicContact CB-CE2 3.92Å; H761-Y802 AromaticContact ND1-CE2 3.47Å; H761-Y802 WeakPolarHBondContact ND1-CE2 3.35Å; H761-Y802 AromaticContact ND1-CZ 3.59Å; H761-Y802 PolarHBondContact ND1-OH 3.18Å
762	N	88.3	Confident	87.4	Confident	129 Å²	129	56 Å²	56	69%	0.69	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-36.9	-179.6	-62.7	-1.7	0	0	0	112.5	S760 A766	S760-N762 PolarHBondContact O-N 3.37Å; N762-A766 WeakPolarHBondContact O-CB 3.36Å; N762-A766 PolarHBondContact O-N 3.48Å
763	A	90.4	Very high	86.5	Confident	35 Å²	35	60.7 Å²	60.7	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-35.7	176.2	0	0	0	0	0	112.5	L759 S760 H761 A766 E767	L759-A763 HydrophobicContact CD1-CB 4.49Å; L759-A763 HydrophobicContact CD2-CB 4.38Å; L759-A763 HydrophobicContact CG-CB 3.94Å; S760-A763 PolarHBondContact O-N 3.5Å; S760-A763 VanDerWaalsContact OG-CB 3.25Å; S760-A763 WeakPolarHBondContact OG-CB 3.49Å; S760-A763 PolarHBondContact OG-N 3.46Å; H761-A763 VanDerWaalsContact C-N 3.29Å; H761-A763 PolarHBondContact O-N 3.34Å; A763-A766 PolarHBondContact O-N 2.86Å; A763-E767 WeakPolarHBondContact O-CB 3.18Å; A763-E767 VanDerWaalsContact O-CG 3.3Å; A763-E767 WeakPolarHBondContact O-CG 3.2Å; A763-E767 PolarHBondContact O-N 2.93Å
764	L	90.3	Very high	86.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-43	174.9	-176.6	58.6	0	0	0	111.8	T749 I752 M753 L759 S760 H761 A766 E767 L768 I785 Y802	T749-L764 HydrophobicContact CG2-CD1 4.5Å; T749-L764 HydrophobicContact CG2-CD2 4.25Å; I752-L764 HydrophobicContact CB-CD1 4.37Å; I752-L764 HydrophobicContact CG2-CD1 3.82Å; M753-L764 HydrophobicContact CG-CD1 4.07Å; M753-L764 HydrophobicContact CG-CD2 4.34Å; M753-L764 HydrophobicContact SD-CD1 4.03Å; M753-L764 HydrophobicContact SD-CD2 4.16Å; L759-L764 HydrophobicContact CD2-CB 3.97Å; L759-L764 HydrophobicContact CD2-CD1 4.03Å; S760-L764 WeakPolarHBondContact O-CB 3.42Å; S760-L764 PolarHBondContact O-N 3.21Å; H761-L764 PolarHBondContact O-N 3.15Å; H761-L764 VanDerWaalsContact O-N 3.08Å; L764-A766 VanDerWaalsContact C-N 3.32Å; L764-A766 PolarHBondContact O-N 3.28Å; L764-E767 PolarHBondContact O-N 3.17Å; L764-L768 HydrophobicContact CD1-CD1 4.17Å; L764-L768 HydrophobicContact CD1-CG 4.21Å; L764-L768 HydrophobicContact CG-CD1 3.96Å; L764-L768 HydrophobicContact CG-CG 4.46Å; L764-L768 VanDerWaalsContact O-CB 3.28Å; L764-L768 WeakPolarHBondContact O-CB 3.46Å; L764-L768 VanDerWaalsContact O-CG 3.28Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 2.81Å; L764-I785 HydrophobicContact CD2-CD1 3.9Å; L764-I785 HydrophobicContact CD2-CG1 4.43Å; L764-I785 HydrophobicContact CD2-CG2 4.49Å; L764-I785 HydrophobicContact CG-CD1 4.3Å; L764-Y802 HydrophobicContact CB-CD2 4.26Å; L764-Y802 HydrophobicContact CD2-CD2 3.38Å; L764-Y802 HydrophobicContact CD2-CE2 3.85Å; L764-Y802 HydrophobicContact CD2-CG 4.02Å; L764-Y802 HydrophobicContact CG-CD2 4.47Å
765	I	90.4	Very high	85.7	Confident	20 Å²	20	61 Å²	61	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-41.4	174.3	-63.2	-64.6	0	0	0	110.8	H761 S769 P778 L781 I785	H761-I765 WeakPolarHBondContact O-CG1 3.42Å; H761-I765 PolarHBondContact O-N 3.14Å; I765-S769 VanDerWaalsContact O-CB 3.3Å; I765-S769 WeakPolarHBondContact O-CB 3.49Å; I765-S769 PolarHBondContact O-N 2.91Å; I765-S769 PolarHBondContact O-OG 3.44Å; I765-P778 HydrophobicContact CG2-CB 4.47Å; I765-L781 HydrophobicContact CD1-CB 3.51Å; I765-L781 HydrophobicContact CD1-CD1 4.04Å; I765-L781 HydrophobicContact CD1-CG 4.45Å; I765-L781 HydrophobicContact CG2-CD1 4.26Å; I765-I785 HydrophobicContact CD1-CD1 3.92Å
766	A	89.8	Confident	85.3	Confident	59 Å²	59	55.7 Å²	55.7	49%	0.488	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-47.4	176.2	0	0	0	0	0	112.7	N762 A763 L764 L768 S769 A770	N762-A766 WeakPolarHBondContact O-CB 3.36Å; N762-A766 PolarHBondContact O-N 3.48Å; A763-A766 PolarHBondContact O-N 2.86Å; L764-A766 VanDerWaalsContact C-N 3.32Å; L764-A766 PolarHBondContact O-N 3.28Å; A766-L768 PolarHBondContact O-N 3.26Å; A766-S769 PolarHBondContact O-N 2.91Å; A766-A770 PolarHBondContact O-N 2.99Å
767	E	91.2	Very high	84.9	Confident	55 Å²	55	57.8 Å²	57.8	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-34.2	178.5	-69.3	-118	-149.6	0	0	112.6	I752 K756 L759 A763 L764 A770 Q771	I752-E767 HydrophobicContact CD1-CB 4.05Å; I752-E767 HydrophobicContact CG2-CB 4.28Å; K756-E767 WeakPolarHBondContact CE-OE1 3.4Å; K756-E767 IonicContact NZ-OE1 3.27Å; K756-E767 PolarHBondContact NZ-OE1 2.82Å; K756-E767 IonicContact NZ-OE2 2.65Å; L759-E767 HydrophobicContact CD2-CG 4.35Å; A763-E767 WeakPolarHBondContact O-CB 3.18Å; A763-E767 VanDerWaalsContact O-CG 3.3Å; A763-E767 WeakPolarHBondContact O-CG 3.2Å; A763-E767 PolarHBondContact O-N 2.93Å; L764-E767 PolarHBondContact O-N 3.17Å; E767-A770 PolarHBondContact O-N 3.43Å; E767-Q771 PolarHBondContact O-N 3.49Å; E767-Q771 VanDerWaalsContact O-N 3.1Å
768	L	91.1	Very high	84.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-48.5	170.2	-77.8	169.2	0	0	0	111.2	T749 I752 L764 A766 A770 Q771 L772 L781 I785	T749-L768 WeakPolarHBondContact OG1-CD2 3.16Å; I752-L768 HydrophobicContact CD1-CD2 3.78Å; I752-L768 HydrophobicContact CD1-CG 4.01Å; L764-L768 HydrophobicContact CD1-CD1 4.17Å; L764-L768 HydrophobicContact CD1-CG 4.21Å; L764-L768 HydrophobicContact CG-CD1 3.96Å; L764-L768 HydrophobicContact CG-CG 4.46Å; L764-L768 VanDerWaalsContact O-CB 3.28Å; L764-L768 WeakPolarHBondContact O-CB 3.46Å; L764-L768 VanDerWaalsContact O-CG 3.28Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 2.81Å; A766-L768 PolarHBondContact O-N 3.26Å; L768-A770 PolarHBondContact O-N 2.92Å; L768-Q771 PolarHBondContact O-N 3.18Å; L768-L772 HydrophobicContact CB-CD1 4.22Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 WeakPolarHBondContact O-CG 3.43Å; L768-L772 PolarHBondContact O-N 2.93Å; L768-L781 HydrophobicContact CB-CD1 4.3Å; L768-I785 HydrophobicContact CD1-CD1 3.95Å; L768-I785 HydrophobicContact CD1-CG1 4.5Å
769	S	84.9	Confident	84.7	Confident	67 Å²	67	58.2 Å²	58.2	47%	0.469	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-27.7	178.3	-57.1	0	0	0	0	112.5	I765 A766	I765-S769 VanDerWaalsContact O-CB 3.3Å; I765-S769 WeakPolarHBondContact O-CB 3.49Å; I765-S769 PolarHBondContact O-N 2.91Å; I765-S769 PolarHBondContact O-OG 3.44Å; A766-S769 PolarHBondContact O-N 2.91Å
770	A	84.2	Confident	84.5	Confident	86 Å²	86	61.5 Å²	61.5	71%	0.711	34%	0.342	S	S	*	.	H	α-helix	trans	-82.2	-26.3	174.7	0	0	0	0	0	114.4	A766 E767 L768	A766-A770 PolarHBondContact O-N 2.99Å; E767-A770 PolarHBondContact O-N 3.43Å; L768-A770 PolarHBondContact O-N 2.92Å
771	Q	84.4	Confident	84.4	Confident	79 Å²	79	59.9 Å²	59.9	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-93.1	-26.6	177.9	-77	-161.8	-2.7	0	0	114.6	E767 L768	E767-Q771 PolarHBondContact O-N 3.49Å; E767-Q771 VanDerWaalsContact O-N 3.1Å; L768-Q771 PolarHBondContact O-N 3.18Å
772	L	83.3	Confident	84.4	Confident	18 Å²	18	62 Å²	62	9%	0.094	34%	0.339	C	S	.	.			trans	-76.2	139.7	-176	-67.2	169.7	0	0	0	111.6	Q744 V745 L768 F774 A776 L781	Q744-L772 HydrophobicContact CB-CD2 4.3Å; V745-L772 HydrophobicContact CG2-CD1 4.03Å; V745-L772 HydrophobicContact CG2-CD2 4.17Å; L768-L772 HydrophobicContact CB-CD1 4.22Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 WeakPolarHBondContact O-CG 3.43Å; L768-L772 PolarHBondContact O-N 2.93Å; L772-F774 HydrophobicContact CB-CD1 4.38Å; L772-F774 HydrophobicContact CB-CE1 4.21Å; L772-F774 HydrophobicContact CD1-CZ 4.22Å; L772-F774 HydrophobicContact CD2-CE1 3.84Å; L772-F774 HydrophobicContact CD2-CZ 3.99Å; L772-F774 HydrophobicContact CG-CE1 4.45Å; L772-F774 HydrophobicContact CG-CZ 4.47Å; L772-F774 PolarHBondContact O-N 3.31Å; L772-A776 HydrophobicContact CD1-CB 4.38Å; L772-L781 HydrophobicContact CD1-CD2 3.8Å
773	R	72.4	Confident	84.2	Confident	99 Å²	99	62 Å²	62	37%	0.374	34%	0.335	S	S	.	.	S	Bend	trans	-79.1	4.8	179.2	-62	-176.1	-178.6	178	2.3	114	K492 D532	K492-R773 PolarHBondContact N-O 2.94Å; D532-R773 PolarHBondContact O-NH1 3.41Å; D532-R773 IonicContact OD2-NH2 3.19Å
774	F	79.9	Confident	84	Confident	17 Å²	17	62.8 Å²	62.8	8%	0.075	33%	0.33	C	S	.	.	S	Bend	trans	-141.8	147.7	-176.9	61.1	-84.8	0	0	0	109.6	R741 Q744 V745 L772 A776	R741-F774 HydrophobicContact CB-CE1 3.86Å; R741-F774 HydrophobicContact CB-CE2 3.93Å; R741-F774 HydrophobicContact CB-CZ 3.51Å; R741-F774 HydrophobicContact CG-CD1 3.79Å; R741-F774 HydrophobicContact CG-CD2 4.11Å; R741-F774 HydrophobicContact CG-CE1 3.59Å; R741-F774 HydrophobicContact CG-CE2 3.89Å; R741-F774 HydrophobicContact CG-CG 4.06Å; R741-F774 HydrophobicContact CG-CZ 3.63Å; Q744-F774 HydrophobicContact CB-CE1 4.27Å; V745-F774 HydrophobicContact CG2-CZ 3.9Å; L772-F774 HydrophobicContact CB-CD1 4.38Å; L772-F774 HydrophobicContact CB-CE1 4.21Å; L772-F774 HydrophobicContact CD1-CZ 4.22Å; L772-F774 HydrophobicContact CD2-CE1 3.84Å; L772-F774 HydrophobicContact CD2-CZ 3.99Å; L772-F774 HydrophobicContact CG-CE1 4.45Å; L772-F774 HydrophobicContact CG-CZ 4.47Å; L772-F774 PolarHBondContact O-N 3.31Å; F774-A776 HydrophobicContact CD2-CB 4.12Å; F774-A776 HydrophobicContact CE2-CB 3.76Å; F774-A776 PolarHBondContact O-N 2.84Å
775	Q	74.9	Confident	83.7	Confident	111 Å²	111	62.8 Å²	62.8	52%	0.519	33%	0.33	S	S	.	.			trans	-74.3	111	171.1	-71.4	176.4	-5.8	0	0	108.2	E441 P490	E441-Q775 PolarHBondContact OE1-NE2 2.77Å; P490-Q775 HydrophobicContact CB-CB 4.44Å; P490-Q775 HydrophobicContact CB-CG 4.35Å
776	A	78.9	Confident	83.3	Confident	19 Å²	19	65.6 Å²	65.6	16%	0.157	34%	0.343	C	S	.	.			trans	-95.6	142.8	171.1	0	0	0	0	0	109.3	L772 F774 L781	L772-A776 HydrophobicContact CD1-CB 4.38Å; F774-A776 HydrophobicContact CD2-CB 4.12Å; F774-A776 HydrophobicContact CE2-CB 3.76Å; F774-A776 PolarHBondContact O-N 2.84Å; A776-L781 HydrophobicContact CB-CD1 4.04Å; A776-L781 HydrophobicContact CB-CD2 3.64Å; A776-L781 HydrophobicContact CB-CG 3.65Å
777	K	79.6	Confident	82.8	Confident	133 Å²	133	64.2 Å²	64.2	58%	0.578	33%	0.33	S	S	*	.			trans	-72.2	145.4	175.3	-60.3	-178.4	-163.2	134.5	0	110	N779 E780 L781	K777-N779 PolarHBondContact O-N 2.91Å; K777-N779 VanDerWaalsContact O-N 3.15Å; K777-E780 HydrophobicContact CB-CB 4.36Å; K777-E780 HydrophobicContact CB-CG 3.99Å; K777-E780 VanDerWaalsContact CD-OE1 3.27Å; K777-E780 WeakPolarHBondContact CD-OE1 3.25Å; K777-E780 WeakPolarHBondContact CE-OE1 3.26Å; K777-E780 PolarHBondContact N-OE2 2.87Å; K777-E780 VanDerWaalsContact N-OE2 3.09Å; K777-E780 IonicContact NZ-OE1 3.7Å; K777-E780 PolarHBondContact NZ-OE1 3.17Å; K777-E780 PolarHBondContact O-N 2.95Å; K777-L781 PolarHBondContact O-N 3.21Å
778	P	82.7	Confident	82.1	Confident	79 Å²	79	61.9 Å²	61.9	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-53.9	-37.1	178.1	-28.7	35.9	0	0	0	113.6	I765 L781 K782	I765-P778 HydrophobicContact CG2-CB 4.47Å; P778-L781 PolarHBondContact O-N 3.39Å; P778-K782 WeakPolarHBondContact O-CB 3.47Å; P778-K782 PolarHBondContact O-N 2.86Å
779	N	80.7	Confident	81.3	Confident	117 Å²	117	64 Å²	64	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-42.5	177.2	-64.1	3.1	0	0	0	112.4	K777 L781 K782 E783	K777-N779 PolarHBondContact O-N 2.91Å; K777-N779 VanDerWaalsContact O-N 3.15Å; N779-L781 VanDerWaalsContact C-N 3.32Å; N779-L781 PolarHBondContact O-N 3.3Å; N779-K782 WeakPolarHBondContact O-CB 3.45Å; N779-K782 PolarHBondContact O-N 3.21Å; N779-E783 WeakPolarHBondContact O-CG 3.24Å; N779-E783 PolarHBondContact O-N 3.25Å
780	E	81.5	Confident	80.6	Confident	89 Å²	89	68.7 Å²	68.7	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-39.2	177.8	-65.7	162.9	-175.5	0	0	110.8	K777 R784	K777-E780 HydrophobicContact CB-CB 4.36Å; K777-E780 HydrophobicContact CB-CG 3.99Å; K777-E780 VanDerWaalsContact CD-OE1 3.27Å; K777-E780 WeakPolarHBondContact CD-OE1 3.25Å; K777-E780 WeakPolarHBondContact CE-OE1 3.26Å; K777-E780 PolarHBondContact N-OE2 2.87Å; K777-E780 VanDerWaalsContact N-OE2 3.09Å; K777-E780 IonicContact NZ-OE1 3.7Å; K777-E780 PolarHBondContact NZ-OE1 3.17Å; K777-E780 PolarHBondContact O-N 2.95Å; E780-R784 WeakPolarHBondContact O-CB 3.24Å; E780-R784 PolarHBondContact O-N 3.02Å; E780-R784 VanDerWaalsContact O-N 3.15Å
781	L	87.5	Confident	79.9	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-42.3	172.8	-69.3	-179.7	0	0	0	112.1	V745 I765 L768 L772 A776 K777 P778 N779 R784 I785	V745-L781 HydrophobicContact CG1-CD2 3.92Å; V745-L781 HydrophobicContact CG2-CD2 3.82Å; I765-L781 HydrophobicContact CD1-CB 3.51Å; I765-L781 HydrophobicContact CD1-CD1 4.04Å; I765-L781 HydrophobicContact CD1-CG 4.45Å; I765-L781 HydrophobicContact CG2-CD1 4.26Å; L768-L781 HydrophobicContact CB-CD1 4.3Å; L772-L781 HydrophobicContact CD1-CD2 3.8Å; A776-L781 HydrophobicContact CB-CD1 4.04Å; A776-L781 HydrophobicContact CB-CD2 3.64Å; A776-L781 HydrophobicContact CB-CG 3.65Å; K777-L781 PolarHBondContact O-N 3.21Å; P778-L781 PolarHBondContact O-N 3.39Å; N779-L781 VanDerWaalsContact C-N 3.32Å; N779-L781 PolarHBondContact O-N 3.3Å; L781-R784 PolarHBondContact O-N 3.35Å; L781-I785 WeakPolarHBondContact O-CD1 3.45Å; L781-I785 VanDerWaalsContact O-CG1 3.23Å; L781-I785 WeakPolarHBondContact O-CG1 3.34Å; L781-I785 PolarHBondContact O-N 3.32Å
782	K	85.1	Confident	78.6	Confident	89 Å²	89	68.7 Å²	68.7	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-54.4	177.2	177.6	-173.8	168.2	-169.6	0	111.2	P778 N779 R784 I785 E786	P778-K782 WeakPolarHBondContact O-CB 3.47Å; P778-K782 PolarHBondContact O-N 2.86Å; N779-K782 WeakPolarHBondContact O-CB 3.45Å; N779-K782 PolarHBondContact O-N 3.21Å; K782-R784 PolarHBondContact O-N 3.12Å; K782-I785 PolarHBondContact O-N 2.88Å; K782-I785 VanDerWaalsContact O-N 3.11Å; K782-E786 VanDerWaalsContact CE-CD 3.47Å; K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 IonicContact NZ-OE1 2.8Å; K782-E786 WeakPolarHBondContact O-CG 3.36Å; K782-E786 PolarHBondContact O-N 2.91Å
783	E	84.7	Confident	77.3	Confident	129 Å²	129	71.8 Å²	71.8	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-55	-39.2	177.7	-73.1	171.3	-169.2	0	0	111.3	N779 S787	N779-E783 WeakPolarHBondContact O-CG 3.24Å; N779-E783 PolarHBondContact O-N 3.25Å; E783-S787 WeakPolarHBondContact O-CB 3.37Å; E783-S787 PolarHBondContact O-N 3.3Å
784	R	86.3	Confident	77	Confident	50 Å²	50	68.9 Å²	68.9	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-43.1	177.3	-169.3	66.4	-158.6	142	-0.5	113	V745 D746 E780 L781 K782 E786 S787 M788	V745-R784 HydrophobicContact CB-CG 4.37Å; V745-R784 HydrophobicContact CG1-CB 4.25Å; V745-R784 HydrophobicContact CG1-CG 3.85Å; D746-R784 IonicContact OD1-CZ 2.84Å; D746-R784 IonicContact OD1-NE 2.68Å; D746-R784 PolarHBondContact OD1-NE 2.95Å; D746-R784 IonicContact OD1-NH2 2.75Å; D746-R784 PolarHBondContact OD1-NH2 2.87Å; D746-R784 IonicContact OD2-CZ 2.77Å; D746-R784 IonicContact OD2-NE 3.63Å; D746-R784 IonicContact OD2-NH2 2.69Å; D746-R784 PolarHBondContact OD2-NH2 3.49Å; E780-R784 WeakPolarHBondContact O-CB 3.24Å; E780-R784 PolarHBondContact O-N 3.02Å; E780-R784 VanDerWaalsContact O-N 3.15Å; L781-R784 PolarHBondContact O-N 3.35Å; K782-R784 PolarHBondContact O-N 3.12Å; R784-E786 VanDerWaalsContact C-N 3.31Å; R784-E786 PolarHBondContact O-N 3.14Å; R784-S787 PolarHBondContact NH1-OG 3.33Å; R784-S787 VanDerWaalsContact NH1-OG 3.08Å; R784-S787 PolarHBondContact O-N 3.39Å; R784-M788 WeakPolarHBondContact O-CG 3.47Å; R784-M788 PolarHBondContact O-N 3.49Å
785	I	84.8	Confident	76.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-40	176.4	-65.9	158.3	0	0	0	110.6	T749 L764 I765 L768 L781 K782 M788 I789 Y802	T749-I785 HydrophobicContact CG2-CG1 4.41Å; L764-I785 HydrophobicContact CD2-CD1 3.9Å; L764-I785 HydrophobicContact CD2-CG1 4.43Å; L764-I785 HydrophobicContact CD2-CG2 4.49Å; L764-I785 HydrophobicContact CG-CD1 4.3Å; I765-I785 HydrophobicContact CD1-CD1 3.92Å; L768-I785 HydrophobicContact CD1-CD1 3.95Å; L768-I785 HydrophobicContact CD1-CG1 4.5Å; L781-I785 WeakPolarHBondContact O-CD1 3.45Å; L781-I785 VanDerWaalsContact O-CG1 3.23Å; L781-I785 WeakPolarHBondContact O-CG1 3.34Å; L781-I785 PolarHBondContact O-N 3.32Å; K782-I785 PolarHBondContact O-N 2.88Å; K782-I785 VanDerWaalsContact O-N 3.11Å; I785-M788 PolarHBondContact O-N 3.22Å; I785-I789 HydrophobicContact CG2-CD1 4.02Å; I785-I789 WeakPolarHBondContact O-CD1 3.34Å; I785-I789 VanDerWaalsContact O-CG1 3.32Å; I785-I789 WeakPolarHBondContact O-CG1 3.38Å; I785-I789 PolarHBondContact O-N 3.24Å; I785-I789 VanDerWaalsContact O-N 3.14Å; I785-Y802 HydrophobicContact CG2-CD1 4.02Å; I785-Y802 HydrophobicContact CG2-CE1 3.5Å; I785-Y802 HydrophobicContact CG2-CE2 4.05Å
786	E	81.1	Confident	76.1	Confident	79 Å²	79	66.4 Å²	66.4	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-47	175	-72.4	171.9	164.9	0	0	110.9	K782 R784 M788 I789 E790	K782-E786 VanDerWaalsContact CE-CD 3.47Å; K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 IonicContact NZ-OE1 2.8Å; K782-E786 WeakPolarHBondContact O-CG 3.36Å; K782-E786 PolarHBondContact O-N 2.91Å; R784-E786 VanDerWaalsContact C-N 3.31Å; R784-E786 PolarHBondContact O-N 3.14Å; E786-M788 VanDerWaalsContact C-N 3.32Å; E786-M788 PolarHBondContact O-N 2.85Å; E786-I789 WeakPolarHBondContact O-CB 3.39Å; E786-I789 PolarHBondContact O-N 3.45Å; E786-E790 PolarHBondContact O-N 2.98Å
787	S	78.7	Confident	75.6	Confident	30 Å²	30	69 Å²	69	21%	0.21	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-37.7	173.7	-175.7	0	0	0	0	113.4	E783 R784 I789 E790 Q791	E783-S787 WeakPolarHBondContact O-CB 3.37Å; E783-S787 PolarHBondContact O-N 3.3Å; R784-S787 PolarHBondContact NH1-OG 3.33Å; R784-S787 VanDerWaalsContact NH1-OG 3.08Å; R784-S787 PolarHBondContact O-N 3.39Å; S787-I789 VanDerWaalsContact C-N 3.32Å; S787-I789 PolarHBondContact O-N 2.96Å; S787-E790 PolarHBondContact O-N 3.23Å; S787-Q791 VanDerWaalsContact O-CG 3.3Å; S787-Q791 WeakPolarHBondContact O-CG 3.36Å; S787-Q791 PolarHBondContact O-N 3.22Å
788	M	77.1	Confident	74.9	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.034	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-32.2	174.7	-69.6	178.6	76.5	0	0	113.1	D746 T749 V750 R784 I785 E786 L793 L795	D746-M788 HydrophobicContact CB-CE 4.18Å; D746-M788 HydrophobicContact CB-SD 4.36Å; T749-M788 HydrophobicContact CG2-CE 4.32Å; T749-M788 HydrophobicContact CG2-SD 4.06Å; V750-M788 HydrophobicContact CG2-CE 3.79Å; R784-M788 WeakPolarHBondContact O-CG 3.47Å; R784-M788 PolarHBondContact O-N 3.49Å; I785-M788 PolarHBondContact O-N 3.22Å; E786-M788 VanDerWaalsContact C-N 3.32Å; E786-M788 PolarHBondContact O-N 2.85Å; M788-L793 PolarHBondContact O-N 3.13Å; M788-L795 HydrophobicContact CB-CD1 4.14Å; M788-L795 HydrophobicContact CE-CD1 3.88Å; M788-L795 HydrophobicContact SD-CD1 4.16Å
789	I	75.4	Confident	74.3	Confident	43 Å²	43	60.3 Å²	60.3	22%	0.221	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-43.7	176.9	-67	159.2	0	0	0	110.3	I785 E786 S787 Q791 A792 L795 F797 Y802	I785-I789 HydrophobicContact CG2-CD1 4.02Å; I785-I789 WeakPolarHBondContact O-CD1 3.34Å; I785-I789 VanDerWaalsContact O-CG1 3.32Å; I785-I789 WeakPolarHBondContact O-CG1 3.38Å; I785-I789 PolarHBondContact O-N 3.24Å; I785-I789 VanDerWaalsContact O-N 3.14Å; E786-I789 WeakPolarHBondContact O-CB 3.39Å; E786-I789 PolarHBondContact O-N 3.45Å; S787-I789 VanDerWaalsContact C-N 3.32Å; S787-I789 PolarHBondContact O-N 2.96Å; I789-Q791 VanDerWaalsContact C-N 3.28Å; I789-Q791 PolarHBondContact O-N 2.65Å; I789-A792 WeakPolarHBondContact O-CA 3.35Å; I789-A792 PolarHBondContact O-N 3.39Å; I789-L795 HydrophobicContact CG1-CB 3.78Å; I789-F797 HydrophobicContact CD1-CB 3.99Å; I789-Y802 HydrophobicContact CD1-CD1 3.76Å; I789-Y802 HydrophobicContact CD1-CE1 3.52Å
790	E	69.5	Low	73.9	Confident	166 Å²	166	57.8 Å²	57.8	78%	0.776	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-38.3	175	-71.2	-178.4	162.9	0	0	112.4	E786 S787 A792	E786-E790 PolarHBondContact O-N 2.98Å; S787-E790 PolarHBondContact O-N 3.23Å; E790-A792 PolarHBondContact O-N 2.99Å; E790-A792 VanDerWaalsContact O-N 3.16Å
791	Q	68.6	Low	73.7	Confident	102 Å²	102	57.8 Å²	57.8	48%	0.477	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-3.4	173.9	-69.8	179.7	-7.8	0	0	113.5	S787 I789 L793	S787-Q791 VanDerWaalsContact O-CG 3.3Å; S787-Q791 WeakPolarHBondContact O-CG 3.36Å; S787-Q791 PolarHBondContact O-N 3.22Å; I789-Q791 VanDerWaalsContact C-N 3.28Å; I789-Q791 PolarHBondContact O-N 2.65Å; Q791-L793 HydrophobicContact CB-CB 4.4Å; Q791-L793 HydrophobicContact CB-CD1 3.95Å; Q791-L793 HydrophobicContact CB-CG 4.03Å; Q791-L793 PolarHBondContact O-N 3.36Å
792	A	57.4	Low	73.3	Confident	63 Å²	63	57.9 Å²	57.9	52%	0.521	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	18.1	-174.8	0	0	0	0	0	114.4	I789 E790 L794	I789-A792 WeakPolarHBondContact O-CA 3.35Å; I789-A792 PolarHBondContact O-N 3.39Å; E790-A792 PolarHBondContact O-N 2.99Å; E790-A792 VanDerWaalsContact O-N 3.16Å; A792-L794 VanDerWaalsContact C-N 3.31Å; A792-L794 PolarHBondContact O-N 3.14Å
793	L	55.9	Low	73	Confident	83 Å²	83	56.6 Å²	56.6	44%	0.435	29%	0.287	S	S	.	.	S	Bend	trans	-85.3	70.8	-173.9	-73.5	174.6	0	0	0	111.2	M788 Q791 F807	M788-L793 PolarHBondContact O-N 3.13Å; Q791-L793 HydrophobicContact CB-CB 4.4Å; Q791-L793 HydrophobicContact CB-CD1 3.95Å; Q791-L793 HydrophobicContact CB-CG 4.03Å; Q791-L793 PolarHBondContact O-N 3.36Å; L793-F807 HydrophobicContact CD2-CE2 4.35Å
794	L	67.2	Low	72.6	Confident	39 Å²	39	51.6 Å²	51.6	20%	0.204	26%	0.263	C	S	.	.	S	Bend	trans	83	7.3	166.4	-44.6	159.1	0	0	0	117	V750 A792 Y804 V805 F807	V750-L794 HydrophobicContact CG1-CD1 4.21Å; V750-L794 HydrophobicContact CG2-CD1 4.11Å; A792-L794 VanDerWaalsContact C-N 3.31Å; A792-L794 PolarHBondContact O-N 3.14Å; L794-Y804 HydrophobicContact CB-CD2 4.2Å; L794-Y804 HydrophobicContact CB-CE2 3.69Å; L794-Y804 HydrophobicContact CD1-CE2 4.18Å; L794-Y804 HydrophobicContact CG-CE2 4.45Å; L794-Y804 CarbonylContact O-C 3.46Å; L794-Y804 WeakPolarHBondContact O-CA 3.46Å; L794-Y804 WeakPolarHBondContact O-CD2 3.34Å; L794-V805 WeakPolarHBondContact CA-O 3.26Å; L794-V805 WeakPolarHBondContact CB-O 3.43Å; L794-V805 WeakPolarHBondContact CD2-O 3.48Å; L794-V805 PolarHBondContact O-N 3.02Å; L794-F807 HydrophobicContact CD2-CD2 4.43Å
795	L	67.3	Low	71.7	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.8	-178.6	-65.3	171.5	0	0	0	113.2	T749 M753 M788 I789 F803 Y804	T749-L795 HydrophobicContact CG2-CD1 3.66Å; M753-L795 HydrophobicContact CB-CD2 3.63Å; M753-L795 HydrophobicContact CE-CD2 4.08Å; M753-L795 HydrophobicContact CG-CD2 3.62Å; M788-L795 HydrophobicContact CB-CD1 4.14Å; M788-L795 HydrophobicContact CE-CD1 3.88Å; M788-L795 HydrophobicContact SD-CD1 4.16Å; I789-L795 HydrophobicContact CG1-CB 3.78Å; L795-F803 WeakPolarHBondContact CA-O 3.42Å; L795-Y804 HydrophobicContact CD2-CD2 4.23Å
796	V	67.8	Low	70.3	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136	172.9	-178.5	0	0	0	0	109.5	V798 Y802 F803 V805	V796-V798 HydrophobicContact CG1-CG2 4.16Å; V796-Y802 CarbonylContact O-C 3.49Å; V796-Y802 WeakPolarHBondContact O-CA 3.14Å; V796-F803 PolarHBondContact N-O 2.71Å; V796-F803 PolarHBondContact O-N 2.79Å; V796-V805 HydrophobicContact CG2-CG2 3.78Å
797	F	68.6	Low	68.5	Low	75 Å²	75	56.9 Å²	56.9	33%	0.329	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.4	175.9	-176.5	-116.4	0	0	0	111.8	I789 S799 Y801 Y802	I789-F797 HydrophobicContact CD1-CB 3.99Å; F797-S799 WeakPolarHBondContact CE1-O 3.42Å; F797-S799 WeakPolarHBondContact CZ-O 3.47Å; F797-Y801 WeakPolarHBondContact CD2-O 3.23Å; F797-Y802 HydrophobicContact CB-CD1 3.81Å; F797-Y802 HydrophobicContact CB-CE1 3.79Å; F797-Y802 AromaticContact CD2-CD1 3.46Å; F797-Y802 HydrophobicContact CD2-CD1 3.46Å; F797-Y802 VanDerWaalsContact CD2-CD1 3.46Å; F797-Y802 AromaticContact CD2-CE1 3.27Å; F797-Y802 HydrophobicContact CD2-CE1 3.27Å; F797-Y802 HydrophobicContact CD2-CE2 4.4Å; F797-Y802 HydrophobicContact CD2-CG 4.09Å; F797-Y802 AromaticContact CD2-CZ 3.8Å; F797-Y802 HydrophobicContact CE2-CD1 4.42Å; F797-Y802 HydrophobicContact CE2-CE1 4.03Å; F797-Y802 HydrophobicContact CG-CD1 4.05Å; F797-Y802 AromaticContact CG-CE1 3.76Å; F797-Y802 HydrophobicContact CG-CE1 3.76Å
798	V	65.4	Low	66.7	Low	15 Å²	15	58 Å²	58	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	116.9	-175.7	177.7	0	0	0	0	109.2	V796 T800 Y801 F803 A848 L851 F873	V796-V798 HydrophobicContact CG1-CG2 4.16Å; V798-T800 VanDerWaalsContact C-N 3.34Å; V798-T800 PolarHBondContact O-N 2.75Å; V798-Y801 PolarHBondContact N-O 3.07Å; V798-Y801 PolarHBondContact O-N 2.77Å; V798-F803 HydrophobicContact CB-CD2 4.06Å; V798-F803 HydrophobicContact CB-CE2 3.81Å; V798-F803 HydrophobicContact CG1-CE2 4.41Å; V798-F803 HydrophobicContact CG2-CD2 3.99Å; V798-F803 HydrophobicContact CG2-CE2 4.16Å; V798-A848 HydrophobicContact CB-CB 4.35Å; V798-A848 HydrophobicContact CG1-CB 3.57Å; V798-A848 HydrophobicContact CG2-CB 3.88Å; V798-L851 HydrophobicContact CB-CD1 4.12Å; V798-L851 HydrophobicContact CG1-CD1 3.8Å; V798-L851 HydrophobicContact CG2-CD1 4.14Å; V798-F873 HydrophobicContact CG1-CD1 3.9Å; V798-F873 HydrophobicContact CG1-CE1 3.73Å
799	S	68.8	Low	64.8	Low	14 Å²	14	58 Å²	58	10%	0.098	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-86.7	-172.3	-112.5	0	0	0	0	113	F797 S872 F873	F797-S799 WeakPolarHBondContact CE1-O 3.42Å; F797-S799 WeakPolarHBondContact CZ-O 3.47Å; S799-S872 PolarHBondContact OG-N 2.93Å; S799-S872 PolarHBondContact OG-OG 2.97Å; S799-F873 WeakPolarHBondContact OG-CB 3.26Å; S799-F873 VanDerWaalsContact OG-CD1 3.28Å; S799-F873 WeakPolarHBondContact OG-CD1 3.44Å; S799-F873 PolarHBondContact OG-N 2.95Å
800	T	73	Confident	62.8	Low	64 Å²	64	62.8 Å²	62.8	39%	0.393	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	5.7	-171	51.9	0	0	0	0	111	S760 H761 V798	S760-T800 VanDerWaalsContact CA-O 3.28Å; S760-T800 WeakPolarHBondContact CA-O 3.46Å; H761-T800 PolarHBondContact N-O 2.81Å; H761-T800 VanDerWaalsContact N-O 3.09Å; V798-T800 VanDerWaalsContact C-N 3.34Å; V798-T800 PolarHBondContact O-N 2.75Å
801	Y	77.6	Confident	61	Low	89 Å²	89	62 Å²	62	35%	0.349	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.6	-174	-67.8	-88.9	0	0	0	111.7	K758 L759 F797 V798	K758-Y801 HydrophobicContact CD-CD1 4.2Å; K758-Y801 HydrophobicContact CD-CG 4.45Å; K758-Y801 HydrophobicContact CG-CD1 3.96Å; K758-Y801 HydrophobicContact CG-CG 4.32Å; L759-Y801 CarbonylContact O-C 3.56Å; L759-Y801 VanDerWaalsContact O-CA 3.27Å; L759-Y801 WeakPolarHBondContact O-CA 3.47Å; F797-Y801 WeakPolarHBondContact CD2-O 3.23Å; V798-Y801 PolarHBondContact N-O 3.07Å; V798-Y801 PolarHBondContact O-N 2.77Å
802	Y	80	Confident	59.1	Low	4 Å²	4	63.2 Å²	63.2	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	150	164.2	-60.2	-69	0	0	0	110.2	M753 K758 L759 H761 L764 I785 I789 V796 F797	M753-Y802 VanDerWaalsContact CE-C 3.44Å; M753-Y802 WeakPolarHBondContact CE-O 3.45Å; K758-Y802 WeakPolarHBondContact CA-O 3.19Å; L759-Y802 PolarHBondContact N-O 3.02Å; L759-Y802 VanDerWaalsContact N-O 3.1Å; L759-Y802 PolarHBondContact O-N 2.98Å; H761-Y802 HydrophobicContact CB-CE2 3.92Å; H761-Y802 AromaticContact ND1-CE2 3.47Å; H761-Y802 WeakPolarHBondContact ND1-CE2 3.35Å; H761-Y802 AromaticContact ND1-CZ 3.59Å; H761-Y802 PolarHBondContact ND1-OH 3.18Å; L764-Y802 HydrophobicContact CB-CD2 4.26Å; L764-Y802 HydrophobicContact CD2-CD2 3.38Å; L764-Y802 HydrophobicContact CD2-CE2 3.85Å; L764-Y802 HydrophobicContact CD2-CG 4.02Å; L764-Y802 HydrophobicContact CG-CD2 4.47Å; I785-Y802 HydrophobicContact CG2-CD1 4.02Å; I785-Y802 HydrophobicContact CG2-CE1 3.5Å; I785-Y802 HydrophobicContact CG2-CE2 4.05Å; I789-Y802 HydrophobicContact CD1-CD1 3.76Å; I789-Y802 HydrophobicContact CD1-CE1 3.52Å; V796-Y802 CarbonylContact O-C 3.49Å; V796-Y802 WeakPolarHBondContact O-CA 3.14Å; F797-Y802 HydrophobicContact CB-CD1 3.81Å; F797-Y802 HydrophobicContact CB-CE1 3.79Å; F797-Y802 AromaticContact CD2-CD1 3.46Å; F797-Y802 HydrophobicContact CD2-CD1 3.46Å; F797-Y802 VanDerWaalsContact CD2-CD1 3.46Å; F797-Y802 AromaticContact CD2-CE1 3.27Å; F797-Y802 HydrophobicContact CD2-CE1 3.27Å; F797-Y802 HydrophobicContact CD2-CE2 4.4Å; F797-Y802 HydrophobicContact CD2-CG 4.09Å; F797-Y802 AromaticContact CD2-CZ 3.8Å; F797-Y802 HydrophobicContact CE2-CD1 4.42Å; F797-Y802 HydrophobicContact CE2-CE1 4.03Å; F797-Y802 HydrophobicContact CG-CD1 4.05Å; F797-Y802 AromaticContact CG-CE1 3.76Å; F797-Y802 HydrophobicContact CG-CE1 3.76Å
803	F	76.9	Confident	57.6	Low	61 Å²	61	65.4 Å²	65.4	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.6	177.2	-72	-98	0	0	0	110.3	K757 K758 L795 V796 V798	K757-F803 WeakPolarHBondContact O-CA 3.43Å; K758-F803 HydrophobicContact CB-CD1 4.16Å; K758-F803 HydrophobicContact CB-CE1 4.01Å; K758-F803 HydrophobicContact CD-CE1 3.72Å; K758-F803 HydrophobicContact CD-CE2 4.49Å; K758-F803 HydrophobicContact CD-CZ 3.63Å; K758-F803 HydrophobicContact CG-CD1 4.19Å; K758-F803 HydrophobicContact CG-CE1 3.7Å; K758-F803 HydrophobicContact CG-CE2 4.24Å; K758-F803 HydrophobicContact CG-CZ 3.74Å; L795-F803 WeakPolarHBondContact CA-O 3.42Å; V796-F803 PolarHBondContact N-O 2.71Å; V796-F803 PolarHBondContact O-N 2.79Å; V798-F803 HydrophobicContact CB-CD2 4.06Å; V798-F803 HydrophobicContact CB-CE2 3.81Å; V798-F803 HydrophobicContact CG1-CE2 4.41Å; V798-F803 HydrophobicContact CG2-CD2 3.99Å; V798-F803 HydrophobicContact CG2-CE2 4.16Å
804	Y	77.3	Confident	56.5	Low	25 Å²	25	65.7 Å²	65.7	10%	0.098	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.5	177.2	-172.2	-99.2	0	0	0	112.2	V750 M753 K754 K757 L794 L795 T806	V750-Y804 HydrophobicContact CG1-CE2 4.13Å; M753-Y804 HydrophobicContact CB-CD2 3.76Å; M753-Y804 HydrophobicContact CB-CG 4.28Å; M753-Y804 WeakPolarHBondContact O-CB 3.38Å; K754-Y804 HydrophobicContact CB-CD1 4.25Å; K754-Y804 HydrophobicContact CB-CD2 4.34Å; K754-Y804 HydrophobicContact CB-CE1 3.81Å; K754-Y804 HydrophobicContact CB-CE2 3.91Å; K754-Y804 HydrophobicContact CB-CG 4.49Å; K754-Y804 HydrophobicContact CG-CE1 3.86Å; K757-Y804 PolarHBondContact O-N 3.29Å; L794-Y804 HydrophobicContact CB-CD2 4.2Å; L794-Y804 HydrophobicContact CB-CE2 3.69Å; L794-Y804 HydrophobicContact CD1-CE2 4.18Å; L794-Y804 HydrophobicContact CG-CE2 4.45Å; L794-Y804 CarbonylContact O-C 3.46Å; L794-Y804 WeakPolarHBondContact O-CA 3.46Å; L794-Y804 WeakPolarHBondContact O-CD2 3.34Å; L795-Y804 HydrophobicContact CD2-CD2 4.23Å; Y804-T806 HydrophobicContact CD1-CG2 4.27Å; Y804-T806 HydrophobicContact CE1-CG2 3.46Å; Y804-T806 VanDerWaalsContact CE1-CG2 3.46Å
805	V	67.8	Low	54.6	Low	25 Å²	25	68.7 Å²	68.7	15%	0.152	37%	0.368	C	S	.	.			trans	-125.1	147.8	-178.5	-173.1	0	0	0	0	108.7	L794 V796 F813	L794-V805 WeakPolarHBondContact CA-O 3.26Å; L794-V805 WeakPolarHBondContact CB-O 3.43Å; L794-V805 WeakPolarHBondContact CD2-O 3.48Å; L794-V805 PolarHBondContact O-N 3.02Å; V796-V805 HydrophobicContact CG2-CG2 3.78Å; V805-F813 HydrophobicContact CB-CE2 4.38Å; V805-F813 HydrophobicContact CG1-CD2 4.42Å; V805-F813 HydrophobicContact CG1-CE2 3.88Å; V805-F813 HydrophobicContact CG2-CE2 3.87Å; V805-F813 HydrophobicContact CG2-CZ 4.2Å
806	T	54.7	Low	52.9	Low	66 Å²	66	73.8 Å²	73.8	41%	0.405	40%	0.404	S	S	.	.			trans	-115.1	153.3	174.8	51.4	0	0	0	0	111.2	Y804 G808 A809	Y804-T806 HydrophobicContact CD1-CG2 4.27Å; Y804-T806 HydrophobicContact CE1-CG2 3.46Å; Y804-T806 VanDerWaalsContact CE1-CG2 3.46Å; T806-G808 PolarHBondContact O-N 3.03Å; T806-G808 VanDerWaalsContact O-N 3.1Å; T806-A809 WeakPolarHBondContact O-CA 3.1Å; T806-A809 VanDerWaalsContact O-CB 3.29Å; T806-A809 WeakPolarHBondContact O-CB 3.34Å; T806-A809 PolarHBondContact O-N 3.19Å; T806-A809 WeakPolarHBondContact OG1-CB 3.34Å
807	F	44.4	Very low	51.2	Low	148 Å²	148	78 Å²	78	65%	0.649	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.2	-173.3	-112.9	-91.3	0	0	0	115.6	L793 L794	L793-F807 HydrophobicContact CD2-CE2 4.35Å; L794-F807 HydrophobicContact CD2-CD2 4.43Å
808	G	39.7	Very low	49.1	Very low	54 Å²	54	81.5 Å²	81.5	56%	0.557	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.1	163.2	0	0	0	0	0	114	T806 L810 N811 D812	T806-G808 PolarHBondContact O-N 3.03Å; T806-G808 VanDerWaalsContact O-N 3.1Å; G808-L810 PolarHBondContact O-N 3.34Å; G808-N811 PolarHBondContact O-N 2.98Å; G808-D812 PolarHBondContact O-N 3.05Å; G808-D812 VanDerWaalsContact O-N 3.12Å
809	A	36.6	Very low	47.4	Very low	6 Å²	6	82.1 Å²	82.1	5%	0.05	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.5	-171.1	0	0	0	0	0	115	T806 N811 D812 F813	T806-A809 WeakPolarHBondContact O-CA 3.1Å; T806-A809 VanDerWaalsContact O-CB 3.29Å; T806-A809 WeakPolarHBondContact O-CB 3.34Å; T806-A809 PolarHBondContact O-N 3.19Å; T806-A809 WeakPolarHBondContact OG1-CB 3.34Å; A809-N811 PolarHBondContact O-N 3.08Å; A809-D812 VanDerWaalsContact CA-C 3.49Å; A809-F813 HydrophobicContact CB-CD2 4.3Å; A809-F813 WeakPolarHBondContact O-CB 3.37Å; A809-F813 WeakPolarHBondContact O-CD2 3.46Å; A809-F813 PolarHBondContact O-N 2.85Å
810	L	34.8	Very low	46.1	Very low	145 Å²	145	85.6 Å²	85.6	76%	0.759	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.2	163.6	-85.5	164.3	0	0	0	111.8	G808	G808-L810 PolarHBondContact O-N 3.34Å
811	N	31.5	Very low	45	Very low	149 Å²	149	92.4 Å²	92.4	80%	0.797	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-40.7	168.1	-71.9	-31.1	0	0	0	112.2	G808 A809	G808-N811 PolarHBondContact O-N 2.98Å; A809-N811 PolarHBondContact O-N 3.08Å
812	D	27.5	Very low	44	Very low	128 Å²	128	90.2 Å²	90.2	68%	0.684	49%	0.485	S	S	*	.			trans	-108.9	49.2	-178.9	-69.4	-53.3	0	0	0	113.5	G808 A809	G808-D812 PolarHBondContact O-N 3.05Å; G808-D812 VanDerWaalsContact O-N 3.12Å; A809-D812 VanDerWaalsContact CA-C 3.49Å
813	F	27.8	Very low	43.4	Very low	109 Å²	109	91.2 Å²	91.2	48%	0.478	49%	0.491	S	S	.	.	S	Bend	trans	-56.9	132.3	158.3	-135.3	-78.7	0	0	0	106.8	V805 A809 L815	V805-F813 HydrophobicContact CB-CE2 4.38Å; V805-F813 HydrophobicContact CG1-CD2 4.42Å; V805-F813 HydrophobicContact CG1-CE2 3.88Å; V805-F813 HydrophobicContact CG2-CE2 3.87Å; V805-F813 HydrophobicContact CG2-CZ 4.2Å; A809-F813 HydrophobicContact CB-CD2 4.3Å; A809-F813 WeakPolarHBondContact O-CB 3.37Å; A809-F813 WeakPolarHBondContact O-CD2 3.46Å; A809-F813 PolarHBondContact O-N 2.85Å; F813-L815 PolarHBondContact O-N 2.95Å
814	P	31.3	Very low	43.1	Very low	89 Å²	89	94.6 Å²	94.6	58%	0.578	51%	0.506	S	S	*	.			trans	-57.1	105.6	-176.9	19.2	-31.4	0	0	0	110.4	S816 F817	P814-S816 PolarHBondContact O-N 2.92Å; P814-F817 PolarHBondContact O-N 3.25Å
815	L	28.8	Very low	43	Very low	101 Å²	101	98.5 Å²	98.5	53%	0.529	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-67	23	175.6	-82.6	164.1	0	0	0	111.8	F813 M818	F813-L815 PolarHBondContact O-N 2.95Å; L815-M818 HydrophobicContact CB-CE 3.81Å; L815-M818 HydrophobicContact CB-CG 3.92Å; L815-M818 HydrophobicContact CB-SD 4.38Å; L815-M818 HydrophobicContact CD1-CE 4.03Å; L815-M818 HydrophobicContact CD2-CE 4.39Å; L815-M818 HydrophobicContact CD2-CG 3.93Å; L815-M818 HydrophobicContact CG-CE 4.3Å; L815-M818 WeakPolarHBondContact O-CA 3.48Å; L815-M818 WeakPolarHBondContact O-CB 3.32Å; L815-M818 WeakPolarHBondContact O-CG 3.28Å; L815-M818 PolarHBondContact O-N 2.93Å
816	S	31.3	Very low	43.7	Very low	112 Å²	112	100.1 Å²	100.1	78%	0.783	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-75.8	-9.4	158.1	57.8	0	0	0	0	112.3	P814 M818	P814-S816 PolarHBondContact O-N 2.92Å; S816-M818 VanDerWaalsContact C-N 3.28Å
817	F	30.7	Very low	44.9	Very low	160 Å²	160	97.7 Å²	97.7	70%	0.702	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-93.3	47.7	148.4	-111.7	-88.9	0	0	0	111	P814 G819	P814-F817 PolarHBondContact O-N 3.25Å; F817-G819 PolarHBondContact O-N 3.32Å
818	M	24.7	Very low	46.6	Very low	147 Å²	147	95 Å²	95	72%	0.724	51%	0.508	S	S	*	.			trans	-66.7	69.2	161	-99	173.4	-171.7	0	0	110.1	L815 S816 N820	L815-M818 HydrophobicContact CB-CE 3.81Å; L815-M818 HydrophobicContact CB-CG 3.92Å; L815-M818 HydrophobicContact CB-SD 4.38Å; L815-M818 HydrophobicContact CD1-CE 4.03Å; L815-M818 HydrophobicContact CD2-CE 4.39Å; L815-M818 HydrophobicContact CD2-CG 3.93Å; L815-M818 HydrophobicContact CG-CE 4.3Å; L815-M818 WeakPolarHBondContact O-CA 3.48Å; L815-M818 WeakPolarHBondContact O-CB 3.32Å; L815-M818 WeakPolarHBondContact O-CG 3.28Å; L815-M818 PolarHBondContact O-N 2.93Å; S816-M818 VanDerWaalsContact C-N 3.28Å; M818-N820 PolarHBondContact O-N 3.21Å
819	G	29.4	Very low	48.7	Very low	28 Å²	28	96.6 Å²	96.6	29%	0.289	50%	0.504	S	S	.	.			trans	-90.5	73.3	160.9	0	0	0	0	0	109.6	F817 T823	F817-G819 PolarHBondContact O-N 3.32Å; G819-T823 VanDerWaalsContact O-CG2 3.22Å; G819-T823 WeakPolarHBondContact O-CG2 3.19Å; G819-T823 PolarHBondContact O-OG1 3.41Å
820	N	41.5	Very low	51	Low	88 Å²	88	96.3 Å²	96.3	47%	0.471	50%	0.502	S	S	.	.			trans	55.1	126.4	174.8	-73.9	-15.1	0	0	0	118.1	M818 S822 T823	M818-N820 PolarHBondContact O-N 3.21Å; N820-S822 WeakPolarHBondContact CB-OG 3.4Å; N820-S822 PolarHBondContact O-N 3.37Å; N820-T823 HydrophobicContact CB-CG2 4.43Å; N820-T823 PolarHBondContact O-N 3.2Å; N820-T823 PolarHBondContact O-OG1 3.43Å
821	K	51.4	Low	53.3	Low	207 Å²	207	93.9 Å²	93.9	90%	0.9	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-25.2	160.7	-114.5	179.5	178.5	179.3	0	113.7	T823	K821-T823 VanDerWaalsContact C-N 3.34Å; K821-T823 PolarHBondContact O-N 2.92Å
822	S	56.1	Low	55.8	Low	42 Å²	42	95.3 Å²	95.3	29%	0.294	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-31.5	178	68.9	0	0	0	0	113.7	N820 K824 N825 H826	N820-S822 WeakPolarHBondContact CB-OG 3.4Å; N820-S822 PolarHBondContact O-N 3.37Å; S822-K824 VanDerWaalsContact C-N 3.34Å; S822-K824 PolarHBondContact O-N 3.13Å; S822-N825 PolarHBondContact O-N 2.96Å; S822-H826 PolarHBondContact O-CD2 3.17Å; S822-H826 PolarHBondContact O-N 2.99Å
823	T	67.3	Low	58.7	Low	25 Å²	25	91.8 Å²	91.8	15%	0.153	47%	0.469	C	S	.	.	H	α-helix	trans	-63.6	-37.2	-173.7	57.3	0	0	0	0	112.8	G819 N820 K821 N825 H826 L827 L838 C841 L843	G819-T823 VanDerWaalsContact O-CG2 3.22Å; G819-T823 WeakPolarHBondContact O-CG2 3.19Å; G819-T823 PolarHBondContact O-OG1 3.41Å; N820-T823 HydrophobicContact CB-CG2 4.43Å; N820-T823 PolarHBondContact O-N 3.2Å; N820-T823 PolarHBondContact O-OG1 3.43Å; K821-T823 VanDerWaalsContact C-N 3.34Å; K821-T823 PolarHBondContact O-N 2.92Å; T823-N825 PolarHBondContact O-N 2.94Å; T823-H826 PolarHBondContact O-N 3.32Å; T823-L827 WeakPolarHBondContact O-CD1 3.25Å; T823-L827 WeakPolarHBondContact O-CG 3.46Å; T823-L827 PolarHBondContact O-N 3.38Å; T823-L827 VanDerWaalsContact O-N 3.09Å; T823-L838 HydrophobicContact CG2-CD2 3.96Å; T823-C841 HydrophobicContact CG2-CB 4.31Å; T823-L843 HydrophobicContact CG2-CD2 4.43Å
824	K	70.4	Confident	61.6	Low	132 Å²	132	86.7 Å²	86.7	57%	0.574	45%	0.447	S	S	*	.	H	α-helix	trans	-60.4	-45.5	175.9	-176	172.4	173.7	173.6	0	111.9	S822 H826 L827 E828	S822-K824 VanDerWaalsContact C-N 3.34Å; S822-K824 PolarHBondContact O-N 3.13Å; K824-H826 VanDerWaalsContact C-N 3.32Å; K824-H826 PolarHBondContact O-N 2.9Å; K824-L827 PolarHBondContact O-N 3.09Å; K824-E828 WeakPolarHBondContact CE-OE1 3.5Å; K824-E828 IonicContact NZ-OE1 3.52Å; K824-E828 PolarHBondContact O-N 3.22Å
825	N	75.8	Confident	64.6	Low	107 Å²	107	85.1 Å²	85.1	57%	0.572	44%	0.435	S	S	*	.	H	α-helix	trans	-63.7	-37.7	178.9	-66.4	9.8	0	0	0	111.9	S822 T823 N829	S822-N825 PolarHBondContact O-N 2.96Å; T823-N825 PolarHBondContact O-N 2.94Å; N825-N829 VanDerWaalsContact O-CB 3.29Å; N825-N829 WeakPolarHBondContact O-CB 3.44Å; N825-N829 PolarHBondContact O-N 3.19Å
826	H	81	Confident	67.5	Low	60 Å²	60	80.3 Å²	80.3	28%	0.278	41%	0.41	S	S	.	.	H	α-helix	trans	-67	-34.7	175.8	-64.1	-63.9	0	0	0	112.6	S822 T823 K824 A830 Q837 L838	S822-H826 PolarHBondContact O-CD2 3.17Å; S822-H826 PolarHBondContact O-N 2.99Å; T823-H826 PolarHBondContact O-N 3.32Å; K824-H826 VanDerWaalsContact C-N 3.32Å; K824-H826 PolarHBondContact O-N 2.9Å; H826-A830 WeakPolarHBondContact O-CB 3.15Å; H826-A830 PolarHBondContact O-N 2.81Å; H826-Q837 WeakPolarHBondContact CB-O 3.35Å; H826-Q837 PolarHBondContact CD2-O 2.82Å; H826-Q837 PolarHBondContact ND1-O 2.89Å; H826-Q837 VanDerWaalsContact ND1-O 3.14Å; H826-L838 HydrophobicContact CB-CD2 3.86Å; H826-L838 HydrophobicContact CB-CG 4.49Å
827	L	81.5	Confident	70.3	Confident	15 Å²	15	80.7 Å²	80.7	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-70.4	-46.3	175.9	-70.8	160.4	0	0	0	112.1	T823 K824 N829 A830 Q831 Q849 L850	T823-L827 WeakPolarHBondContact O-CD1 3.25Å; T823-L827 WeakPolarHBondContact O-CG 3.46Å; T823-L827 PolarHBondContact O-N 3.38Å; T823-L827 VanDerWaalsContact O-N 3.09Å; K824-L827 PolarHBondContact O-N 3.09Å; L827-N829 VanDerWaalsContact C-N 3.31Å; L827-N829 PolarHBondContact O-N 3.24Å; L827-A830 WeakPolarHBondContact O-CB 3.34Å; L827-A830 PolarHBondContact O-N 3.11Å; L827-Q831 PolarHBondContact O-N 3.26Å; L827-Q849 HydrophobicContact CD1-CB 3.62Å; L827-Q849 HydrophobicContact CD1-CG 4.47Å; L827-Q849 HydrophobicContact CD2-CB 4.31Å; L827-L850 HydrophobicContact CD2-CB 4.48Å; L827-L850 HydrophobicContact CD2-CD2 4.19Å; L827-L850 HydrophobicContact CD2-CG 3.92Å
828	E	80.3	Confident	73.1	Confident	90 Å²	90	73 Å²	73	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-36.8	176.2	-71.5	178	-170.2	0	0	112	K824	K824-E828 WeakPolarHBondContact CE-OE1 3.5Å; K824-E828 IonicContact NZ-OE1 3.52Å; K824-E828 PolarHBondContact O-N 3.22Å
829	N	82.4	Confident	76	Confident	88 Å²	88	68.6 Å²	68.6	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-72.2	-35.6	174.1	-164.6	23.6	0	0	0	112.1	N825 L827 Q831 K832 T833	N825-N829 VanDerWaalsContact O-CB 3.29Å; N825-N829 WeakPolarHBondContact O-CB 3.44Å; N825-N829 PolarHBondContact O-N 3.19Å; L827-N829 VanDerWaalsContact C-N 3.31Å; L827-N829 PolarHBondContact O-N 3.24Å; N829-Q831 PolarHBondContact O-N 3.25Å; N829-K832 PolarHBondContact O-N 3Å; N829-K832 VanDerWaalsContact O-N 3.16Å; N829-T833 WeakPolarHBondContact O-CB 3.31Å; N829-T833 PolarHBondContact O-N 3.21Å; N829-T833 PolarHBondContact O-OG1 2.94Å; N829-T833 WeakPolarHBondContact OD1-CG2 3.28Å
830	A	84.8	Confident	78.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-37.8	176.3	0	0	0	0	0	112.4	H826 L827 K832 T833 G834 V835 C836 L857	H826-A830 WeakPolarHBondContact O-CB 3.15Å; H826-A830 PolarHBondContact O-N 2.81Å; L827-A830 WeakPolarHBondContact O-CB 3.34Å; L827-A830 PolarHBondContact O-N 3.11Å; A830-K832 PolarHBondContact O-N 2.8Å; A830-T833 PolarHBondContact O-N 3.02Å; A830-G834 VanDerWaalsContact O-CA 3.29Å; A830-G834 WeakPolarHBondContact O-CA 3.4Å; A830-G834 PolarHBondContact O-N 3.34Å; A830-V835 WeakPolarHBondContact CA-O 3.33Å; A830-C836 HydrophobicContact CB-CB 3.55Å; A830-L857 HydrophobicContact CB-CD1 4.16Å
831	Q	83.4	Confident	80.5	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-31.3	173.3	-76.4	-179.4	-37	0	0	113.1	L827 N829 S852	L827-Q831 PolarHBondContact O-N 3.26Å; N829-Q831 PolarHBondContact O-N 3.25Å; Q831-S852 PolarHBondContact NE2-O 3.15Å; Q831-S852 PolarHBondContact NE2-OG 3.04Å; Q831-S852 VanDerWaalsContact NE2-OG 3.11Å
832	K	83.6	Confident	82	Confident	180 Å²	180	62.4 Å²	62.4	78%	0.783	32%	0.323	S	S	*	.	H	α-helix	trans	-88.8	-39	179.9	-64.5	177.9	-177.4	176.3	0	113.4	N829 A830	N829-K832 PolarHBondContact O-N 3Å; N829-K832 VanDerWaalsContact O-N 3.16Å; A830-K832 PolarHBondContact O-N 2.8Å
833	T	89.2	Confident	83.3	Confident	53 Å²	53	61.1 Å²	61.1	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-101.6	-17.5	-170.6	59.7	0	0	0	0	114.1	N829 A830 V835 R858	N829-T833 WeakPolarHBondContact O-CB 3.31Å; N829-T833 PolarHBondContact O-N 3.21Å; N829-T833 PolarHBondContact O-OG1 2.94Å; N829-T833 WeakPolarHBondContact OD1-CG2 3.28Å; A830-T833 PolarHBondContact O-N 3.02Å; T833-V835 PolarHBondContact O-N 3.43Å; T833-V835 PolarHBondContact OG1-N 2.63Å; T833-V835 PolarHBondContact OG1-O 2.81Å; T833-R858 PolarHBondContact O-NH2 2.78Å
834	G	89.3	Confident	84.2	Confident	2 Å²	2	66.8 Å²	66.8	2%	0.021	34%	0.336	C	S	.	.	S	Bend	trans	69.3	11.9	-167.6	0	0	0	0	0	113.9	A830 S856 R858 S859	A830-G834 VanDerWaalsContact O-CA 3.29Å; A830-G834 WeakPolarHBondContact O-CA 3.4Å; A830-G834 PolarHBondContact O-N 3.34Å; G834-S856 VanDerWaalsContact CA-O 3.26Å; G834-S856 WeakPolarHBondContact CA-O 3.42Å; G834-R858 WeakPolarHBondContact O-CA 3.5Å; G834-R858 PolarHBondContact O-N 3.11Å; G834-S859 PolarHBondContact O-N 3.36Å
835	V	92.8	Very high	84.9	Confident	56 Å²	56	64.7 Å²	64.7	34%	0.339	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116	-179.6	-177.8	0	0	0	0	109.7	A830 T833 Q837 S859	A830-V835 WeakPolarHBondContact CA-O 3.33Å; T833-V835 PolarHBondContact O-N 3.43Å; T833-V835 PolarHBondContact OG1-N 2.63Å; T833-V835 PolarHBondContact OG1-O 2.81Å; V835-Q837 HydrophobicContact CG1-CG 4.37Å; V835-S859 WeakPolarHBondContact CA-O 3.38Å
836	C	91	Very high	85.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115	176.5	-162.5	0	0	0	0	111	A830 L850 L857 S859 L860 N861	A830-C836 HydrophobicContact CB-CB 3.55Å; C836-L850 HydrophobicContact CB-CD2 4.09Å; C836-L857 HydrophobicContact CB-CD1 3.73Å; C836-S859 PolarHBondContact N-O 3.45Å; C836-L860 HydrophobicContact CB-CD1 3.87Å; C836-N861 PolarHBondContact O-N 2.91Å
837	Q	90.3	Very high	85.5	Confident	120 Å²	120	58.2 Å²	58.2	56%	0.561	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	106.9	174.5	-66.3	-179.3	-2.2	0	0	109.4	H826 V835	H826-Q837 WeakPolarHBondContact CB-O 3.35Å; H826-Q837 PolarHBondContact CD2-O 2.82Å; H826-Q837 PolarHBondContact ND1-O 2.89Å; H826-Q837 VanDerWaalsContact ND1-O 3.14Å; V835-Q837 HydrophobicContact CG1-CG 4.37Å
838	L	89	Confident	85.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.			trans	-123.2	24.9	177.6	-70.2	171.5	0	0	0	111.3	T823 H826 C841 L843 P847 L850 N861 L862 N865	T823-L838 HydrophobicContact CG2-CD2 3.96Å; H826-L838 HydrophobicContact CB-CD2 3.86Å; H826-L838 HydrophobicContact CB-CG 4.49Å; L838-C841 WeakPolarHBondContact O-CB 3.48Å; L838-L843 HydrophobicContact CB-CD1 4.07Å; L838-P847 HydrophobicContact CD1-CG 4.24Å; L838-L850 HydrophobicContact CD1-CD1 3.98Å; L838-L850 HydrophobicContact CD1-CG 4.33Å; L838-N861 CarbonylContact C-O 3.5Å; L838-N861 WeakPolarHBondContact CA-O 3.16Å; L838-N861 PolarHBondContact N-O 3.34Å; L838-L862 HydrophobicContact CB-CD2 3.85Å; L838-L862 HydrophobicContact CD1-CD2 4.13Å; L838-N865 PolarHBondContact O-ND2 3.39Å
839	S	86.1	Confident	85.3	Confident	53 Å²	53	60.2 Å²	60.2	37%	0.371	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	144	175.9	-177.2	0	0	0	0	111.4	C841 N861 R863	S839-C841 PolarHBondContact O-N 3.44Å; S839-C841 PolarHBondContact O-SG 2.93Å; S839-C841 VanDerWaalsContact O-SG 3.42Å; S839-N861 PolarHBondContact N-O 3.5Å; S839-R863 CarbonylContact C-O 3.54Å; S839-R863 WeakPolarHBondContact CA-O 3.31Å; S839-R863 PolarHBondContact OG-O 3.38Å
840	G	81.7	Confident	85.4	Confident	41 Å²	41	56 Å²	56	42%	0.423	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	4.2	173.3	0	0	0	0	0	115.9	K842 R863 C864	G840-K842 PolarHBondContact O-N 3.25Å; G840-R863 PolarHBondContact N-O 3.38Å; G840-C864 WeakPolarHBondContact CA-O 3.49Å
841	C	83.9	Confident	85.2	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.061	30%	0.299	C	S	.	.	S	Bend	trans	-76	9.3	-172	-72.2	0	0	0	0	114.8	T823 L838 S839 L843 N865	T823-C841 HydrophobicContact CG2-CB 4.31Å; L838-C841 WeakPolarHBondContact O-CB 3.48Å; S839-C841 PolarHBondContact O-N 3.44Å; S839-C841 PolarHBondContact O-SG 2.93Å; S839-C841 VanDerWaalsContact O-SG 3.42Å; C841-L843 HydrophobicContact CB-CD1 3.88Å; C841-L843 HydrophobicContact CB-CD2 4.31Å; C841-L843 HydrophobicContact CB-CG 3.71Å; C841-L843 PolarHBondContact O-N 3.06Å; C841-L843 VanDerWaalsContact O-N 3.15Å; C841-N865 PolarHBondContact N-OD1 3.29Å; C841-N865 VanDerWaalsContact N-OD1 3.14Å
842	K	82.4	Confident	85	Confident	144 Å²	144	57 Å²	57	63%	0.626	30%	0.3	S	S	*	.			trans	57.1	23.1	-179.5	-55.8	176.1	-176.7	173.5	0	113.8	G840 K844 N865	G840-K842 PolarHBondContact O-N 3.25Å; K842-K844 PolarHBondContact O-N 3.01Å; K842-N865 PolarHBondContact N-OD1 2.98Å
843	L	83	Confident	84.7	Confident	15 Å²	15	48.7 Å²	48.7	8%	0.079	27%	0.265	C	S	.	.			trans	-66.3	124.9	-174.1	-62.3	169	0	0	0	111.3	T823 L838 C841 P847 L862 N865 R866 L867	T823-L843 HydrophobicContact CG2-CD2 4.43Å; L838-L843 HydrophobicContact CB-CD1 4.07Å; C841-L843 HydrophobicContact CB-CD1 3.88Å; C841-L843 HydrophobicContact CB-CD2 4.31Å; C841-L843 HydrophobicContact CB-CG 3.71Å; C841-L843 PolarHBondContact O-N 3.06Å; C841-L843 VanDerWaalsContact O-N 3.15Å; L843-P847 HydrophobicContact CD1-CG 4.08Å; L843-P847 HydrophobicContact CD2-CG 4.04Å; L843-L862 HydrophobicContact CD1-CD2 4.09Å; L843-N865 HydrophobicContact CB-CB 4.19Å; L843-N865 WeakPolarHBondContact CB-OD1 3.21Å; L843-N865 WeakPolarHBondContact CG-OD1 3.48Å; L843-N865 PolarHBondContact N-OD1 2.98Å; L843-R866 CarbonylContact O-C 3.24Å; L843-R866 VanDerWaalsContact O-C 3.27Å; L843-R866 VanDerWaalsContact O-CA 3.32Å; L843-R866 WeakPolarHBondContact O-CA 3.31Å; L843-R866 PolarHBondContact O-N 2.92Å; L843-L867 HydrophobicContact CB-CD2 4.2Å; L843-L867 PolarHBondContact O-N 2.94Å
844	K	86.1	Confident	84	Confident	144 Å²	144	47.6 Å²	47.6	63%	0.626	26%	0.264	S	S	*	.	S	Bend	trans	-82.1	-23.4	173.4	-66.8	-175.8	179.3	-179.6	0	113.3	K842	K842-K844 PolarHBondContact O-N 3.01Å
845	K	86.2	Confident	83.6	Confident	88 Å²	88	51.1 Å²	51.1	38%	0.383	29%	0.285	S	S	.	.	S	Bend	trans	-145.8	154.4	177.2	-68.9	-170.7	179.3	-74.5	0	108.7	L867 E869	K845-L867 VanDerWaalsContact CA-CD2 3.48Å; K845-E869 IonicContact NZ-OE1 2.69Å; K845-E869 PolarHBondContact NZ-OE1 3.33Å; K845-E869 IonicContact NZ-OE2 3.53Å; K845-E869 PolarHBondContact NZ-OE2 2.59Å
846	V	85.9	Confident	83.2	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.085	28%	0.283	C	S	.	.			trans	-64.5	129.5	176.2	-179.3	0	0	0	0	108.6	A848 L850 L862 L867 L870 P871 F873	V846-A848 PolarHBondContact O-N 3.16Å; V846-L850 HydrophobicContact CG1-CD1 3.47Å; V846-L850 VanDerWaalsContact CG1-CD1 3.47Å; V846-L862 HydrophobicContact CG1-CD1 4.1Å; V846-L862 HydrophobicContact CG2-CD1 3.95Å; V846-L867 HydrophobicContact CG2-CD1 3.8Å; V846-L867 HydrophobicContact CG2-CD2 3.93Å; V846-L867 HydrophobicContact CG2-CG 4.48Å; V846-L867 VanDerWaalsContact N-CD2 3.34Å; V846-L870 HydrophobicContact CG2-CD1 4.38Å; V846-P871 HydrophobicContact CB-CG 3.95Å; V846-P871 HydrophobicContact CG1-CG 4.36Å; V846-P871 HydrophobicContact CG2-CG 4.24Å; V846-F873 HydrophobicContact CB-CZ 4.44Å; V846-F873 HydrophobicContact CG1-CE2 4.21Å; V846-F873 HydrophobicContact CG1-CZ 3.98Å
847	P	82.4	Confident	83.2	Confident	16 Å²	16	50.5 Å²	50.5	10%	0.104	28%	0.283	C	S	.	.			trans	-59.5	126	-179.6	-26.1	35	0	0	0	111.5	L838 L843 Q849 L850	L838-P847 HydrophobicContact CD1-CG 4.24Å; L843-P847 HydrophobicContact CD1-CG 4.08Å; L843-P847 HydrophobicContact CD2-CG 4.04Å; P847-Q849 PolarHBondContact O-N 3.18Å; P847-Q849 VanDerWaalsContact O-N 3.14Å; P847-L850 WeakPolarHBondContact O-CB 3.47Å; P847-L850 PolarHBondContact O-N 3.03Å; P847-L850 VanDerWaalsContact O-N 3.08Å
848	A	79.3	Confident	83.4	Confident	31 Å²	31	50.7 Å²	50.7	26%	0.256	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.3	174.6	0	0	0	0	0	112.4	V798 V846 L850 L851	V798-A848 HydrophobicContact CB-CB 4.35Å; V798-A848 HydrophobicContact CG1-CB 3.57Å; V798-A848 HydrophobicContact CG2-CB 3.88Å; V846-A848 PolarHBondContact O-N 3.16Å; A848-L850 PolarHBondContact O-N 3.22Å; A848-L850 VanDerWaalsContact O-N 3.15Å; A848-L851 WeakPolarHBondContact O-CB 3.45Å; A848-L851 PolarHBondContact O-N 3.18Å; A848-L851 VanDerWaalsContact O-N 3.1Å
849	Q	79.5	Confident	83.8	Confident	117 Å²	117	52 Å²	52	55%	0.547	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-61.1	-18.4	178.9	-62.5	82.5	-5.2	0	0	113.4	L827 P847 L851 S852	L827-Q849 HydrophobicContact CD1-CB 3.62Å; L827-Q849 HydrophobicContact CD1-CG 4.47Å; L827-Q849 HydrophobicContact CD2-CB 4.31Å; P847-Q849 PolarHBondContact O-N 3.18Å; P847-Q849 VanDerWaalsContact O-N 3.14Å; Q849-L851 PolarHBondContact O-N 3.24Å; Q849-S852 WeakPolarHBondContact O-CB 3.4Å; Q849-S852 PolarHBondContact O-N 2.93Å; Q849-S852 PolarHBondContact O-OG 3.39Å; Q849-S852 VanDerWaalsContact O-OG 3.05Å
850	L	83	Confident	84.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.8	171.5	-92	157.1	0	0	0	112.8	L827 C836 L838 V846 P847 A848 S852 C853 L857 L860 F877	L827-L850 HydrophobicContact CD2-CB 4.48Å; L827-L850 HydrophobicContact CD2-CD2 4.19Å; L827-L850 HydrophobicContact CD2-CG 3.92Å; C836-L850 HydrophobicContact CB-CD2 4.09Å; L838-L850 HydrophobicContact CD1-CD1 3.98Å; L838-L850 HydrophobicContact CD1-CG 4.33Å; V846-L850 HydrophobicContact CG1-CD1 3.47Å; V846-L850 VanDerWaalsContact CG1-CD1 3.47Å; P847-L850 WeakPolarHBondContact O-CB 3.47Å; P847-L850 PolarHBondContact O-N 3.03Å; P847-L850 VanDerWaalsContact O-N 3.08Å; A848-L850 PolarHBondContact O-N 3.22Å; A848-L850 VanDerWaalsContact O-N 3.15Å; L850-S852 PolarHBondContact O-N 2.92Å; L850-C853 WeakPolarHBondContact O-CB 3.3Å; L850-C853 PolarHBondContact O-N 2.7Å; L850-L857 HydrophobicContact CD2-CD2 3.93Å; L850-L860 HydrophobicContact CD1-CD1 3.99Å; L850-L860 HydrophobicContact CD1-CD2 4.31Å; L850-L860 HydrophobicContact CD2-CD1 3.76Å; L850-L860 HydrophobicContact CD2-CD2 4.5Å; L850-F877 HydrophobicContact CB-CZ 4Å; L850-F877 WeakPolarHBondContact O-CE1 3.49Å
851	L	81	Confident	84.8	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.246	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.3	173.4	-74.4	171.8	0	0	0	113.1	V798 A848 Q849 C853 G854 F873 Y876	V798-L851 HydrophobicContact CB-CD1 4.12Å; V798-L851 HydrophobicContact CG1-CD1 3.8Å; V798-L851 HydrophobicContact CG2-CD1 4.14Å; A848-L851 WeakPolarHBondContact O-CB 3.45Å; A848-L851 PolarHBondContact O-N 3.18Å; A848-L851 VanDerWaalsContact O-N 3.1Å; Q849-L851 PolarHBondContact O-N 3.24Å; L851-C853 PolarHBondContact O-N 3.14Å; L851-G854 PolarHBondContact O-N 3.12Å; L851-F873 HydrophobicContact CD1-CD1 4.34Å; L851-F873 HydrophobicContact CD2-CB 3.91Å; L851-F873 HydrophobicContact CD2-CD2 4.04Å; L851-F873 HydrophobicContact CD2-CG 3.96Å; L851-F873 HydrophobicContact CG-CD1 4.46Å; L851-F873 HydrophobicContact CG-CD2 4.32Å; L851-F873 HydrophobicContact CG-CG 4.28Å; L851-Y876 HydrophobicContact CD2-CD2 3.9Å
852	S	79.1	Confident	85.3	Confident	67 Å²	67	49.2 Å²	49.2	47%	0.469	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-71.6	-10.5	177.5	82.6	0	0	0	0	113.4	Q831 Q849 L850	Q831-S852 PolarHBondContact NE2-O 3.15Å; Q831-S852 PolarHBondContact NE2-OG 3.04Å; Q831-S852 VanDerWaalsContact NE2-OG 3.11Å; Q849-S852 WeakPolarHBondContact O-CB 3.4Å; Q849-S852 PolarHBondContact O-N 2.93Å; Q849-S852 PolarHBondContact O-OG 3.39Å; Q849-S852 VanDerWaalsContact O-OG 3.05Å; L850-S852 PolarHBondContact O-N 2.92Å
853	C	76.8	Confident	85.7	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.041	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-77.6	-23.2	167.3	-57.9	0	0	0	0	111.9	L850 L851 T855 S856 L857	L850-C853 WeakPolarHBondContact O-CB 3.3Å; L850-C853 PolarHBondContact O-N 2.7Å; L851-C853 PolarHBondContact O-N 3.14Å; C853-T855 PolarHBondContact O-N 3.12Å; C853-S856 WeakPolarHBondContact O-CB 3.36Å; C853-S856 PolarHBondContact O-N 3.45Å; C853-S856 PolarHBondContact O-OG 2.94Å; C853-L857 HydrophobicContact CB-CB 4.16Å; C853-L857 HydrophobicContact CB-CD1 4.4Å
854	G	75.4	Confident	86	Confident	29 Å²	29	48.7 Å²	48.7	30%	0.299	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	47.4	-137.3	177.9	0	0	0	0	0	113.1	L851 S856 F877	L851-G854 PolarHBondContact O-N 3.12Å; G854-S856 PolarHBondContact O-N 3.32Å; G854-S856 VanDerWaalsContact O-N 3.14Å; G854-F877 WeakPolarHBondContact O-CD1 3.32Å
855	T	80.8	Confident	86.2	Confident	77 Å²	77	42.4 Å²	42.4	47%	0.472	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-70.7	-2.2	179.6	56.1	0	0	0	0	114.6	C853 E878 N879	C853-T855 PolarHBondContact O-N 3.12Å; T855-E878 HydrophobicContact CG2-CG 4.4Å; T855-N879 WeakPolarHBondContact O-CB 3.36Å; T855-N879 PolarHBondContact O-ND2 2.91Å
856	S	84.5	Confident	86.4	Confident	43 Å²	43	44 Å²	44	30%	0.301	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-79.4	-18.8	-178.6	82.7	0	0	0	0	114.2	G834 C853 G854 R858	G834-S856 VanDerWaalsContact CA-O 3.26Å; G834-S856 WeakPolarHBondContact CA-O 3.42Å; C853-S856 WeakPolarHBondContact O-CB 3.36Å; C853-S856 PolarHBondContact O-N 3.45Å; C853-S856 PolarHBondContact O-OG 2.94Å; G854-S856 PolarHBondContact O-N 3.32Å; G854-S856 VanDerWaalsContact O-N 3.14Å; S856-R858 PolarHBondContact O-N 3.38Å
857	L	91.5	Very high	86.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.			trans	-75	124	-172	-163.5	68.7	0	0	0	112	A830 C836 L850 C853 L860 F877 N879 L880	A830-L857 HydrophobicContact CB-CD1 4.16Å; C836-L857 HydrophobicContact CB-CD1 3.73Å; L850-L857 HydrophobicContact CD2-CD2 3.93Å; C853-L857 HydrophobicContact CB-CB 4.16Å; C853-L857 HydrophobicContact CB-CD1 4.4Å; L857-L860 HydrophobicContact CD2-CB 4.14Å; L857-L860 HydrophobicContact CD2-CD1 4.49Å; L857-L860 HydrophobicContact CD2-CD2 4.22Å; L857-F877 HydrophobicContact CB-CD1 3.93Å; L857-F877 HydrophobicContact CB-CG 4.42Å; L857-F877 HydrophobicContact CD2-CD1 3.84Å; L857-F877 HydrophobicContact CD2-CD2 4.3Å; L857-F877 HydrophobicContact CD2-CE1 4.02Å; L857-F877 HydrophobicContact CD2-CE2 4.46Å; L857-F877 HydrophobicContact CD2-CG 4.02Å; L857-F877 HydrophobicContact CD2-CZ 4.34Å; L857-N879 CarbonylContact O-C 3.55Å; L857-L880 HydrophobicContact CD2-CD1 4.42Å; L857-L880 HydrophobicContact CG-CD1 4.3Å; L857-L880 WeakPolarHBondContact O-CA 3.13Å; L857-L880 PolarHBondContact O-N 2.85Å
858	R	94.7	Very high	86.9	Confident	124 Å²	124	45 Å²	45	47%	0.468	25%	0.248	S	C	.	.			trans	-114.7	-27.3	-179.5	-67.9	-177.4	-70.3	-110.4	0.1	113.9	T833 G834 S856 N879 K881 H882	T833-R858 PolarHBondContact O-NH2 2.78Å; G834-R858 WeakPolarHBondContact O-CA 3.5Å; G834-R858 PolarHBondContact O-N 3.11Å; S856-R858 PolarHBondContact O-N 3.38Å; R858-N879 WeakPolarHBondContact CA-O 3.48Å; R858-N879 HydrophobicContact CG-CB 4.32Å; R858-K881 PolarHBondContact O-N 3.01Å; R858-H882 PolarHBondContact O-N 2.8Å
859	S	96	Very high	87.5	Confident	28 Å²	28	46.9 Å²	46.9	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.9	176.9	178.7	0	0	0	0	110.6	G834 V835 C836 H882	G834-S859 PolarHBondContact O-N 3.36Å; V835-S859 WeakPolarHBondContact CA-O 3.38Å; C836-S859 PolarHBondContact N-O 3.45Å; S859-H882 WeakPolarHBondContact CA-O 3.25Å
860	L	95.4	Very high	88.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.6	180	178.4	55.5	0	0	0	109.9	C836 L850 L857 L862 I874 L880 H882 L883 T884	C836-L860 HydrophobicContact CB-CD1 3.87Å; L850-L860 HydrophobicContact CD1-CD1 3.99Å; L850-L860 HydrophobicContact CD1-CD2 4.31Å; L850-L860 HydrophobicContact CD2-CD1 3.76Å; L850-L860 HydrophobicContact CD2-CD2 4.5Å; L857-L860 HydrophobicContact CD2-CB 4.14Å; L857-L860 HydrophobicContact CD2-CD1 4.49Å; L857-L860 HydrophobicContact CD2-CD2 4.22Å; L860-L862 HydrophobicContact CD1-CD1 4.09Å; L860-L862 HydrophobicContact CD1-CG 3.95Å; L860-L862 HydrophobicContact CD2-CD1 3.81Å; L860-L862 HydrophobicContact CG-CD1 3.85Å; L860-L862 HydrophobicContact CG-CG 4.07Å; L860-I874 HydrophobicContact CD2-CD1 3.81Å; L860-L880 HydrophobicContact CB-CD1 3.83Å; L860-H882 PolarHBondContact N-O 2.98Å; L860-L883 HydrophobicContact CB-CD1 4.07Å; L860-L883 HydrophobicContact CD2-CD1 4.01Å; L860-L883 HydrophobicContact CG-CD1 4.04Å; L860-L883 WeakPolarHBondContact O-CA 3.38Å; L860-T884 PolarHBondContact O-N 3.32Å
861	N	94.1	Very high	88.4	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.4	176.2	-173.4	-23.5	0	0	0	110.4	C836 L838 S839 R863	C836-N861 PolarHBondContact O-N 2.91Å; L838-N861 CarbonylContact C-O 3.5Å; L838-N861 WeakPolarHBondContact CA-O 3.16Å; L838-N861 PolarHBondContact N-O 3.34Å; S839-N861 PolarHBondContact N-O 3.5Å; N861-R863 WeakPolarHBondContact OD1-CB 3.24Å; N861-R863 PolarHBondContact OD1-N 3.42Å
862	L	93.7	Very high	88.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.			trans	-119	20.5	-179.2	-75.6	164.7	0	0	0	111.9	L838 L843 V846 L860 N865 L867 T884 L885 N888	L838-L862 HydrophobicContact CB-CD2 3.85Å; L838-L862 HydrophobicContact CD1-CD2 4.13Å; L843-L862 HydrophobicContact CD1-CD2 4.09Å; V846-L862 HydrophobicContact CG1-CD1 4.1Å; V846-L862 HydrophobicContact CG2-CD1 3.95Å; L860-L862 HydrophobicContact CD1-CD1 4.09Å; L860-L862 HydrophobicContact CD1-CG 3.95Å; L860-L862 HydrophobicContact CD2-CD1 3.81Å; L860-L862 HydrophobicContact CG-CD1 3.85Å; L860-L862 HydrophobicContact CG-CG 4.07Å; L862-N865 VanDerWaalsContact C-ND2 3.35Å; L862-N865 PolarHBondContact O-ND2 3.18Å; L862-L867 HydrophobicContact CB-CD1 3.99Å; L862-L867 HydrophobicContact CD1-CD1 4.29Å; L862-L867 HydrophobicContact CD2-CD1 4.44Å; L862-L867 HydrophobicContact CG-CD1 4.49Å; L862-T884 WeakPolarHBondContact CA-O 3.38Å; L862-T884 PolarHBondContact N-O 3.18Å; L862-L885 HydrophobicContact CB-CD2 3.82Å; L862-L885 HydrophobicContact CD1-CD2 3.87Å; L862-N888 PolarHBondContact O-ND2 3.06Å
863	R	90.9	Very high	88.9	Confident	88 Å²	88	38.7 Å²	38.7	33%	0.332	21%	0.209	S	C	.	.			trans	-59.2	155.5	-178.4	173.9	163.7	179.2	144.6	-9.9	113.8	S839 G840 N861 N865 T884 D886 Y887	S839-R863 CarbonylContact C-O 3.54Å; S839-R863 WeakPolarHBondContact CA-O 3.31Å; S839-R863 PolarHBondContact OG-O 3.38Å; G840-R863 PolarHBondContact N-O 3.38Å; N861-R863 WeakPolarHBondContact OD1-CB 3.24Å; N861-R863 PolarHBondContact OD1-N 3.42Å; R863-N865 VanDerWaalsContact C-N 3.32Å; R863-N865 PolarHBondContact O-N 3.12Å; R863-N865 PolarHBondContact O-ND2 2.84Å; R863-N865 VanDerWaalsContact O-ND2 3.17Å; R863-T884 HydrophobicContact CB-CG2 4.17Å; R863-D886 CarbonylContact C-O 3.46Å; R863-D886 WeakPolarHBondContact CA-O 3.46Å; R863-D886 HydrophobicContact CG-CB 3.98Å; R863-D886 IonicContact CZ-OD2 3.62Å; R863-D886 IonicContact NE-OD2 3.67Å; R863-D886 IonicContact NH1-OD2 2.87Å; R863-D886 PolarHBondContact NH1-OD2 2.86Å; R863-Y887 VanDerWaalsContact NH2-CE2 3.3Å
864	C	90.4	Very high	89.4	Confident	60 Å²	60	38.4 Å²	38.4	41%	0.405	21%	0.207	S	C	.	.	S	Bend	trans	55	43.3	173.7	-65.9	0	0	0	0	113.4	G840 D886 Y887	G840-C864 WeakPolarHBondContact CA-O 3.49Å; C864-D886 PolarHBondContact N-O 2.92Å; C864-Y887 CarbonylContact C-O 3.57Å; C864-Y887 VanDerWaalsContact CA-O 3.28Å; C864-Y887 WeakPolarHBondContact CA-O 3.13Å; C864-Y887 PolarHBondContact N-O 3.08Å
865	N	89.5	Confident	89.9	Confident	12 Å²	12	38 Å²	38	6%	0.064	20%	0.2	C	C	.	.	S	Bend	trans	-112.3	-157.1	176.9	-81.6	-64.4	0	0	0	110.1	L838 C841 K842 L843 L862 R863 L867 Y887 N888	L838-N865 PolarHBondContact O-ND2 3.39Å; C841-N865 PolarHBondContact N-OD1 3.29Å; C841-N865 VanDerWaalsContact N-OD1 3.14Å; K842-N865 PolarHBondContact N-OD1 2.98Å; L843-N865 HydrophobicContact CB-CB 4.19Å; L843-N865 WeakPolarHBondContact CB-OD1 3.21Å; L843-N865 WeakPolarHBondContact CG-OD1 3.48Å; L843-N865 PolarHBondContact N-OD1 2.98Å; L862-N865 VanDerWaalsContact C-ND2 3.35Å; L862-N865 PolarHBondContact O-ND2 3.18Å; R863-N865 VanDerWaalsContact C-N 3.32Å; R863-N865 PolarHBondContact O-N 3.12Å; R863-N865 PolarHBondContact O-ND2 2.84Å; R863-N865 VanDerWaalsContact O-ND2 3.17Å; N865-L867 HydrophobicContact CB-CG 4.09Å; N865-Y887 PolarHBondContact N-O 3.38Å; N865-N888 WeakPolarHBondContact CA-OD1 3.29Å; N865-N888 WeakPolarHBondContact CB-OD1 3.41Å
866	R	89.5	Confident	90.2	Very high	123 Å²	123	40.5 Å²	40.5	46%	0.464	20%	0.201	S	C	.	.			trans	-132.4	32.4	-179.7	-60.1	175.5	178.3	174.8	-5.4	110.1	L843 A868 N888	L843-R866 CarbonylContact O-C 3.24Å; L843-R866 VanDerWaalsContact O-C 3.27Å; L843-R866 VanDerWaalsContact O-CA 3.32Å; L843-R866 WeakPolarHBondContact O-CA 3.31Å; L843-R866 PolarHBondContact O-N 2.92Å; R866-A868 PolarHBondContact O-N 3.1Å; R866-N888 PolarHBondContact N-OD1 3.32Å
867	L	89.6	Confident	90.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.			trans	-69.1	119.6	-177.2	-57.7	177.6	0	0	0	109.8	L843 K845 V846 L862 N865 L885 N888 R889 L890	L843-L867 HydrophobicContact CB-CD2 4.2Å; L843-L867 PolarHBondContact O-N 2.94Å; K845-L867 VanDerWaalsContact CA-CD2 3.48Å; V846-L867 HydrophobicContact CG2-CD1 3.8Å; V846-L867 HydrophobicContact CG2-CD2 3.93Å; V846-L867 HydrophobicContact CG2-CG 4.48Å; V846-L867 VanDerWaalsContact N-CD2 3.34Å; L862-L867 HydrophobicContact CB-CD1 3.99Å; L862-L867 HydrophobicContact CD1-CD1 4.29Å; L862-L867 HydrophobicContact CD2-CD1 4.44Å; L862-L867 HydrophobicContact CG-CD1 4.49Å; N865-L867 HydrophobicContact CB-CG 4.09Å; L867-L885 HydrophobicContact CD1-CD2 4Å; L867-N888 HydrophobicContact CB-CB 4.25Å; L867-N888 VanDerWaalsContact CB-OD1 3.29Å; L867-N888 WeakPolarHBondContact CB-OD1 3.46Å; L867-N888 VanDerWaalsContact CG-OD1 3.25Å; L867-N888 WeakPolarHBondContact CG-OD1 3.41Å; L867-N888 PolarHBondContact N-OD1 2.74Å; L867-R889 CarbonylContact O-C 3.52Å; L867-R889 VanDerWaalsContact O-CA 3.25Å; L867-R889 WeakPolarHBondContact O-CA 3.32Å; L867-R889 WeakPolarHBondContact O-CB 3.5Å; L867-R889 PolarHBondContact O-N 3.11Å; L867-L890 HydrophobicContact CB-CD2 4.19Å; L867-L890 PolarHBondContact O-N 2.79Å
868	A	89.9	Confident	90.3	Very high	50 Å²	50	43.6 Å²	43.6	41%	0.413	21%	0.211	S	C	.	.	S	Bend	trans	-88.1	-22.2	174.5	0	0	0	0	0	113.3	R866 R889	R866-A868 PolarHBondContact O-N 3.1Å; A868-R889 WeakPolarHBondContact CA-O 3.2Å
869	E	92.6	Very high	90.2	Very high	71 Å²	71	40 Å²	40	33%	0.332	20%	0.201	S	C	.	.			trans	-142.6	146.5	-177.2	69.5	-165.5	-169.1	0	0	109.5	K845	K845-E869 IonicContact NZ-OE1 2.69Å; K845-E869 PolarHBondContact NZ-OE1 3.33Å; K845-E869 IonicContact NZ-OE2 3.53Å; K845-E869 PolarHBondContact NZ-OE2 2.59Å
870	L	92	Very high	90.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.192	C	C	.	.			trans	-98.4	124	164.5	-176.7	73.5	0	0	0	107.5	V846 I874 L883 L885 L890 L893 P894 I897	V846-L870 HydrophobicContact CG2-CD1 4.38Å; L870-I874 HydrophobicContact CD1-CD1 4.28Å; L870-I874 HydrophobicContact CD2-CG1 4.35Å; L870-I874 HydrophobicContact CD2-CG2 4.19Å; L870-I874 HydrophobicContact CG-CB 4.5Å; L870-I874 HydrophobicContact CG-CG2 4.47Å; L870-L883 HydrophobicContact CD2-CD2 4.36Å; L870-L885 HydrophobicContact CD1-CD1 3.83Å; L870-L885 HydrophobicContact CD1-CD2 3.8Å; L870-L885 HydrophobicContact CD1-CG 4.46Å; L870-L885 HydrophobicContact CD2-CD1 3.85Å; L870-L885 HydrophobicContact CG-CD1 4.4Å; L870-L890 HydrophobicContact CB-CD2 4.3Å; L870-L893 HydrophobicContact CD2-CD2 4.25Å; L870-P894 HydrophobicContact CB-CG 4.31Å; L870-P894 HydrophobicContact CD2-CG 4.12Å; L870-P894 HydrophobicContact CG-CG 4.33Å; L870-I897 HydrophobicContact CD2-CD1 3.99Å
871	P	88.3	Confident	90.3	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.143	21%	0.206	C	C	.	.			trans	-75.1	148	-175.8	30.9	-35.2	0	0	0	112.1	V846 F873 I874	V846-P871 HydrophobicContact CB-CG 3.95Å; V846-P871 HydrophobicContact CG1-CG 4.36Å; V846-P871 HydrophobicContact CG2-CG 4.24Å; P871-F873 HydrophobicContact CB-CD1 3.8Å; P871-F873 HydrophobicContact CB-CE1 3.74Å; P871-F873 HydrophobicContact CB-CG 4.3Å; P871-F873 HydrophobicContact CB-CZ 4.2Å; P871-F873 HydrophobicContact CG-CD1 3.92Å; P871-F873 HydrophobicContact CG-CD2 4.19Å; P871-F873 HydrophobicContact CG-CE1 3.52Å; P871-F873 HydrophobicContact CG-CE2 3.8Å; P871-F873 HydrophobicContact CG-CG 4.23Å; P871-F873 HydrophobicContact CG-CZ 3.44Å; P871-F873 VanDerWaalsContact CG-CZ 3.44Å; P871-F873 PolarHBondContact O-N 2.85Å; P871-F873 VanDerWaalsContact O-N 3.1Å; P871-I874 WeakPolarHBondContact O-CB 3.47Å; P871-I874 WeakPolarHBondContact O-CG2 3.32Å; P871-I874 PolarHBondContact O-N 3.15Å; P871-I874 VanDerWaalsContact O-N 3.13Å
872	S	86.5	Confident	90.4	Very high	25 Å²	25	42.4 Å²	42.4	18%	0.175	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.8	-22.6	179.6	56.4	0	0	0	0	114.6	S799 I874 S875 E896	S799-S872 PolarHBondContact OG-N 2.93Å; S799-S872 PolarHBondContact OG-OG 2.97Å; S872-I874 PolarHBondContact O-N 2.91Å; S872-S875 PolarHBondContact O-N 3.31Å; S872-S875 PolarHBondContact O-OG 3.06Å; S872-E896 VanDerWaalsContact CB-CD 3.45Å; S872-E896 WeakPolarHBondContact CB-OE1 3.48Å
873	F	85.3	Confident	90.6	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.4	-9.5	177	69.6	-122.7	0	0	0	113.7	V798 S799 V846 L851 P871 S875 Y876 F877	V798-F873 HydrophobicContact CG1-CD1 3.9Å; V798-F873 HydrophobicContact CG1-CE1 3.73Å; S799-F873 WeakPolarHBondContact OG-CB 3.26Å; S799-F873 VanDerWaalsContact OG-CD1 3.28Å; S799-F873 WeakPolarHBondContact OG-CD1 3.44Å; S799-F873 PolarHBondContact OG-N 2.95Å; V846-F873 HydrophobicContact CB-CZ 4.44Å; V846-F873 HydrophobicContact CG1-CE2 4.21Å; V846-F873 HydrophobicContact CG1-CZ 3.98Å; L851-F873 HydrophobicContact CD1-CD1 4.34Å; L851-F873 HydrophobicContact CD2-CB 3.91Å; L851-F873 HydrophobicContact CD2-CD2 4.04Å; L851-F873 HydrophobicContact CD2-CG 3.96Å; L851-F873 HydrophobicContact CG-CD1 4.46Å; L851-F873 HydrophobicContact CG-CD2 4.32Å; L851-F873 HydrophobicContact CG-CG 4.28Å; P871-F873 HydrophobicContact CB-CD1 3.8Å; P871-F873 HydrophobicContact CB-CE1 3.74Å; P871-F873 HydrophobicContact CB-CG 4.3Å; P871-F873 HydrophobicContact CB-CZ 4.2Å; P871-F873 HydrophobicContact CG-CD1 3.92Å; P871-F873 HydrophobicContact CG-CD2 4.19Å; P871-F873 HydrophobicContact CG-CE1 3.52Å; P871-F873 HydrophobicContact CG-CE2 3.8Å; P871-F873 HydrophobicContact CG-CG 4.23Å; P871-F873 HydrophobicContact CG-CZ 3.44Å; P871-F873 VanDerWaalsContact CG-CZ 3.44Å; P871-F873 PolarHBondContact O-N 2.85Å; P871-F873 VanDerWaalsContact O-N 3.1Å; F873-S875 PolarHBondContact O-N 2.99Å; F873-S875 VanDerWaalsContact O-N 3.15Å; F873-Y876 HydrophobicContact CB-CD2 3.89Å; F873-Y876 HydrophobicContact CB-CE2 4.14Å; F873-Y876 WeakPolarHBondContact O-CB 3.47Å; F873-Y876 PolarHBondContact O-N 3.15Å; F873-F877 AromaticContact CD2-CE2 3.9Å; F873-F877 HydrophobicContact CD2-CE2 3.9Å; F873-F877 HydrophobicContact CD2-CZ 4.1Å; F873-F877 HydrophobicContact CE2-CE2 4.07Å; F873-F877 HydrophobicContact CE2-CZ 4.18Å
874	I	86.6	Confident	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.3	174.9	-163.6	74	0	0	0	111.5	L860 L870 P871 S872 Y876 F877 L880 L883 P894 L900	L860-I874 HydrophobicContact CD2-CD1 3.81Å; L870-I874 HydrophobicContact CD1-CD1 4.28Å; L870-I874 HydrophobicContact CD2-CG1 4.35Å; L870-I874 HydrophobicContact CD2-CG2 4.19Å; L870-I874 HydrophobicContact CG-CB 4.5Å; L870-I874 HydrophobicContact CG-CG2 4.47Å; P871-I874 WeakPolarHBondContact O-CB 3.47Å; P871-I874 WeakPolarHBondContact O-CG2 3.32Å; P871-I874 PolarHBondContact O-N 3.15Å; P871-I874 VanDerWaalsContact O-N 3.13Å; S872-I874 PolarHBondContact O-N 2.91Å; I874-Y876 VanDerWaalsContact C-N 3.26Å; I874-Y876 PolarHBondContact O-N 2.91Å; I874-F877 HydrophobicContact CD1-CD2 3.9Å; I874-F877 HydrophobicContact CD1-CE2 4.08Å; I874-F877 HydrophobicContact CG1-CD2 4.43Å; I874-F877 VanDerWaalsContact O-CD2 3.24Å; I874-F877 WeakPolarHBondContact O-CD2 3.4Å; I874-F877 PolarHBondContact O-N 2.84Å; I874-L880 HydrophobicContact CD1-CD2 4.18Å; I874-L880 HydrophobicContact CG1-CD2 4.37Å; I874-L883 HydrophobicContact CD1-CD1 4.19Å; I874-L883 HydrophobicContact CD1-CD2 4.04Å; I874-L883 HydrophobicContact CG1-CD2 3.92Å; I874-P894 HydrophobicContact CG2-CG 4.47Å; I874-L900 HydrophobicContact CG1-CD1 4.39Å; I874-L900 WeakPolarHBondContact O-CD2 3.36Å
875	S	86.2	Confident	91.2	Very high	22 Å²	22	36.9 Å²	36.9	15%	0.154	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.2	177.8	59.4	0	0	0	0	114.6	S872 F873 F877 E896	S872-S875 PolarHBondContact O-N 3.31Å; S872-S875 PolarHBondContact O-OG 3.06Å; F873-S875 PolarHBondContact O-N 2.99Å; F873-S875 VanDerWaalsContact O-N 3.15Å; S875-F877 PolarHBondContact O-N 2.91Å; S875-E896 WeakPolarHBondContact CB-O 3.46Å
876	Y	86	Confident	91.3	Very high	128 Å²	128	36.5 Å²	36.5	50%	0.502	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-71.3	-12	177.4	-61.1	-26.4	0	0	0	113.4	L851 F873 I874 E878	L851-Y876 HydrophobicContact CD2-CD2 3.9Å; F873-Y876 HydrophobicContact CB-CD2 3.89Å; F873-Y876 HydrophobicContact CB-CE2 4.14Å; F873-Y876 WeakPolarHBondContact O-CB 3.47Å; F873-Y876 PolarHBondContact O-N 3.15Å; I874-Y876 VanDerWaalsContact C-N 3.26Å; I874-Y876 PolarHBondContact O-N 2.91Å; Y876-E878 PolarHBondContact O-N 3.02Å
877	F	90	Very high	91.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.			trans	-82.7	66.4	173.8	-54	-58.8	0	0	0	110.4	L850 G854 L857 F873 I874 S875 N879 L880 L900	L850-F877 HydrophobicContact CB-CZ 4Å; L850-F877 WeakPolarHBondContact O-CE1 3.49Å; G854-F877 WeakPolarHBondContact O-CD1 3.32Å; L857-F877 HydrophobicContact CB-CD1 3.93Å; L857-F877 HydrophobicContact CB-CG 4.42Å; L857-F877 HydrophobicContact CD2-CD1 3.84Å; L857-F877 HydrophobicContact CD2-CD2 4.3Å; L857-F877 HydrophobicContact CD2-CE1 4.02Å; L857-F877 HydrophobicContact CD2-CE2 4.46Å; L857-F877 HydrophobicContact CD2-CG 4.02Å; L857-F877 HydrophobicContact CD2-CZ 4.34Å; F873-F877 AromaticContact CD2-CE2 3.9Å; F873-F877 HydrophobicContact CD2-CE2 3.9Å; F873-F877 HydrophobicContact CD2-CZ 4.1Å; F873-F877 HydrophobicContact CE2-CE2 4.07Å; F873-F877 HydrophobicContact CE2-CZ 4.18Å; I874-F877 HydrophobicContact CD1-CD2 3.9Å; I874-F877 HydrophobicContact CD1-CE2 4.08Å; I874-F877 HydrophobicContact CG1-CD2 4.43Å; I874-F877 VanDerWaalsContact O-CD2 3.24Å; I874-F877 WeakPolarHBondContact O-CD2 3.4Å; I874-F877 PolarHBondContact O-N 2.84Å; S875-F877 PolarHBondContact O-N 2.91Å; F877-N879 PolarHBondContact O-N 3.41Å; F877-L880 HydrophobicContact CB-CB 3.83Å; F877-L880 HydrophobicContact CB-CD2 4.31Å; F877-L880 WeakPolarHBondContact O-CB 3.47Å; F877-L880 PolarHBondContact O-N 3.03Å; F877-L900 WeakPolarHBondContact O-CD2 3.19Å
878	E	89.4	Confident	91.3	Very high	109 Å²	109	36.3 Å²	36.3	51%	0.509	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-21.5	-175.2	-63.5	179.1	-179.9	0	0	115.1	T855 Y876 K902	T855-E878 HydrophobicContact CG2-CG 4.4Å; Y876-E878 PolarHBondContact O-N 3.02Å; E878-K902 WeakPolarHBondContact O-CG 3.37Å
879	N	92.8	Very high	91.4	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.7	178.7	-72.5	-58.8	0	0	0	114.4	T855 L857 R858 F877 K881 K902	T855-N879 WeakPolarHBondContact O-CB 3.36Å; T855-N879 PolarHBondContact O-ND2 2.91Å; L857-N879 CarbonylContact O-C 3.55Å; R858-N879 WeakPolarHBondContact CA-O 3.48Å; R858-N879 HydrophobicContact CG-CB 4.32Å; F877-N879 PolarHBondContact O-N 3.41Å; N879-K881 PolarHBondContact O-N 3.13Å; N879-K902 WeakPolarHBondContact OD1-CE 3.33Å; N879-K902 PolarHBondContact OD1-NZ 2.89Å
880	L	95.7	Very high	91.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.			trans	-67.9	118.9	-177.8	-168.3	68.1	0	0	0	110.9	L857 L860 I874 F877 L883 L900 K902 L903	L857-L880 HydrophobicContact CD2-CD1 4.42Å; L857-L880 HydrophobicContact CG-CD1 4.3Å; L857-L880 WeakPolarHBondContact O-CA 3.13Å; L857-L880 PolarHBondContact O-N 2.85Å; L860-L880 HydrophobicContact CB-CD1 3.83Å; I874-L880 HydrophobicContact CD1-CD2 4.18Å; I874-L880 HydrophobicContact CG1-CD2 4.37Å; F877-L880 HydrophobicContact CB-CB 3.83Å; F877-L880 HydrophobicContact CB-CD2 4.31Å; F877-L880 WeakPolarHBondContact O-CB 3.47Å; F877-L880 PolarHBondContact O-N 3.03Å; L880-L883 HydrophobicContact CD2-CB 4.21Å; L880-L883 HydrophobicContact CD2-CD1 4.5Å; L880-L883 HydrophobicContact CD2-CD2 4.3Å; L880-L900 HydrophobicContact CB-CD2 4.37Å; L880-L900 HydrophobicContact CD2-CD1 4.25Å; L880-K902 CarbonylContact O-C 3.58Å; L880-L903 HydrophobicContact CD2-CD1 4.35Å; L880-L903 HydrophobicContact CG-CD1 4.17Å; L880-L903 VanDerWaalsContact O-CA 3.28Å; L880-L903 WeakPolarHBondContact O-CA 3.29Å; L880-L903 PolarHBondContact O-N 2.78Å
881	K	96.7	Very high	91.6	Very high	68 Å²	68	40.3 Å²	40.3	30%	0.296	19%	0.189	S	C	.	.			trans	-102.8	-37.1	177.6	-74.4	166.1	157.8	-80.2	0	112.7	R858 N879 K902 E904 Q905	R858-K881 PolarHBondContact O-N 3.01Å; N879-K881 PolarHBondContact O-N 3.13Å; K881-K902 WeakPolarHBondContact CA-O 3.42Å; K881-K902 WeakPolarHBondContact CG-O 3.42Å; K881-E904 HydrophobicContact CB-CB 4.49Å; K881-E904 IonicContact NZ-OE1 2.76Å; K881-E904 PolarHBondContact NZ-OE1 3.33Å; K881-E904 IonicContact NZ-OE2 2.86Å; K881-E904 PolarHBondContact NZ-OE2 3.02Å; K881-E904 WeakPolarHBondContact O-CA 3.48Å; K881-E904 PolarHBondContact O-N 3.27Å; K881-Q905 PolarHBondContact O-N 3.2Å
882	H	97.8	Very high	91.9	Very high	54 Å²	54	44.5 Å²	44.5	25%	0.25	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123	-175.5	-49.9	-89.2	0	0	0	110.6	R858 S859 L860 Q905	R858-H882 PolarHBondContact O-N 2.8Å; S859-H882 WeakPolarHBondContact CA-O 3.25Å; L860-H882 PolarHBondContact N-O 2.98Å; H882-Q905 WeakPolarHBondContact CA-O 3.34Å; H882-Q905 VanDerWaalsContact ND1-CD 3.31Å; H882-Q905 PolarHBondContact ND1-OE1 3.15Å
883	L	97.4	Very high	92.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.4	175.6	-179.8	54.2	0	0	0	110.3	L860 L870 I874 L880 L885 I897 L903 Q905 L906 S907	L860-L883 HydrophobicContact CB-CD1 4.07Å; L860-L883 HydrophobicContact CD2-CD1 4.01Å; L860-L883 HydrophobicContact CG-CD1 4.04Å; L860-L883 WeakPolarHBondContact O-CA 3.38Å; L870-L883 HydrophobicContact CD2-CD2 4.36Å; I874-L883 HydrophobicContact CD1-CD1 4.19Å; I874-L883 HydrophobicContact CD1-CD2 4.04Å; I874-L883 HydrophobicContact CG1-CD2 3.92Å; L880-L883 HydrophobicContact CD2-CB 4.21Å; L880-L883 HydrophobicContact CD2-CD1 4.5Å; L880-L883 HydrophobicContact CD2-CD2 4.3Å; L883-L885 HydrophobicContact CD1-CD1 4.1Å; L883-L885 HydrophobicContact CD1-CG 4.05Å; L883-L885 HydrophobicContact CD2-CD1 3.96Å; L883-L885 HydrophobicContact CG-CD1 3.83Å; L883-L885 HydrophobicContact CG-CG 4.17Å; L883-I897 HydrophobicContact CD2-CD1 4.32Å; L883-L903 HydrophobicContact CB-CD1 3.98Å; L883-Q905 PolarHBondContact N-O 2.67Å; L883-L906 HydrophobicContact CB-CD1 4.01Å; L883-L906 HydrophobicContact CD2-CD1 3.92Å; L883-L906 HydrophobicContact CG-CD1 3.93Å; L883-S907 PolarHBondContact O-N 3.48Å
884	T	97.2	Very high	92.6	Very high	31 Å²	31	43.7 Å²	43.7	19%	0.19	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120	179.2	-46.5	0	0	0	0	110.1	L860 L862 R863 D886	L860-T884 PolarHBondContact O-N 3.32Å; L862-T884 WeakPolarHBondContact CA-O 3.38Å; L862-T884 PolarHBondContact N-O 3.18Å; R863-T884 HydrophobicContact CB-CG2 4.17Å; T884-D886 WeakPolarHBondContact CG2-OD2 3.28Å
885	L	96.7	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.			trans	-128.7	14.7	-174.6	-72.3	161.5	0	0	0	111.9	L862 L867 L870 L883 N888 L890 S907 V908 N911	L862-L885 HydrophobicContact CB-CD2 3.82Å; L862-L885 HydrophobicContact CD1-CD2 3.87Å; L867-L885 HydrophobicContact CD1-CD2 4Å; L870-L885 HydrophobicContact CD1-CD1 3.83Å; L870-L885 HydrophobicContact CD1-CD2 3.8Å; L870-L885 HydrophobicContact CD1-CG 4.46Å; L870-L885 HydrophobicContact CD2-CD1 3.85Å; L870-L885 HydrophobicContact CG-CD1 4.4Å; L883-L885 HydrophobicContact CD1-CD1 4.1Å; L883-L885 HydrophobicContact CD1-CG 4.05Å; L883-L885 HydrophobicContact CD2-CD1 3.96Å; L883-L885 HydrophobicContact CG-CD1 3.83Å; L883-L885 HydrophobicContact CG-CG 4.17Å; L885-N888 WeakPolarHBondContact O-CB 3.43Å; L885-N888 PolarHBondContact O-ND2 3.33Å; L885-L890 HydrophobicContact CB-CD1 4.03Å; L885-L890 HydrophobicContact CD1-CD1 4.13Å; L885-L890 HydrophobicContact CD2-CD1 4.4Å; L885-L890 HydrophobicContact CG-CD1 4.43Å; L885-S907 PolarHBondContact N-O 3.31Å; L885-V908 HydrophobicContact CB-CG1 3.89Å; L885-V908 HydrophobicContact CD1-CG1 3.84Å; L885-V908 HydrophobicContact CG-CG1 4.49Å; L885-N911 PolarHBondContact O-ND2 2.85Å; L885-N911 VanDerWaalsContact O-ND2 3.13Å
886	D	90.3	Very high	93.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	23%	0.234	C	C	.	.			trans	-58.6	154.6	-174.5	-45.5	-48.4	0	0	0	113.1	R863 C864 T884 N888 S907 S909	R863-D886 CarbonylContact C-O 3.46Å; R863-D886 WeakPolarHBondContact CA-O 3.46Å; R863-D886 HydrophobicContact CG-CB 3.98Å; R863-D886 IonicContact CZ-OD2 3.62Å; R863-D886 IonicContact NE-OD2 3.67Å; R863-D886 IonicContact NH1-OD2 2.87Å; R863-D886 PolarHBondContact NH1-OD2 2.86Å; C864-D886 PolarHBondContact N-O 2.92Å; T884-D886 WeakPolarHBondContact CG2-OD2 3.28Å; D886-N888 PolarHBondContact O-ND2 3.04Å; D886-S907 WeakPolarHBondContact OD1-CB 3.5Å; D886-S907 PolarHBondContact OD1-OG 2.75Å; D886-S909 CarbonylContact C-O 3.59Å; D886-S909 WeakPolarHBondContact CA-O 3.39Å; D886-S909 WeakPolarHBondContact CB-OG 3.45Å; D886-S909 PolarHBondContact OD1-N 2.85Å; D886-S909 VanDerWaalsContact OD1-N 3.11Å; D886-S909 PolarHBondContact OD1-OG 3.44Å
887	Y	89.5	Confident	93.6	Very high	106 Å²	106	44.8 Å²	44.8	42%	0.416	21%	0.21	S	C	.	.	S	Bend	trans	54.3	59.5	176.1	-63.5	-94.7	0	0	0	111.5	R863 C864 N865 S909 N910	R863-Y887 VanDerWaalsContact NH2-CE2 3.3Å; C864-Y887 CarbonylContact C-O 3.57Å; C864-Y887 VanDerWaalsContact CA-O 3.28Å; C864-Y887 WeakPolarHBondContact CA-O 3.13Å; C864-Y887 PolarHBondContact N-O 3.08Å; N865-Y887 PolarHBondContact N-O 3.38Å; Y887-S909 PolarHBondContact N-O 3.4Å; Y887-N910 VanDerWaalsContact CA-O 3.29Å; Y887-N910 WeakPolarHBondContact CA-O 3.17Å; Y887-N910 HydrophobicContact CD1-CB 3.72Å; Y887-N910 HydrophobicContact CD2-CB 4.04Å; Y887-N910 HydrophobicContact CE1-CB 3.86Å; Y887-N910 WeakPolarHBondContact CE1-OD1 3.18Å; Y887-N910 HydrophobicContact CE2-CB 4.12Å; Y887-N910 HydrophobicContact CG-CB 3.82Å; Y887-N910 VanDerWaalsContact CZ-CG 3.46Å; Y887-N910 PolarHBondContact N-O 3.32Å
888	N	90.9	Very high	93.6	Very high	14 Å²	14	45.1 Å²	45.1	8%	0.075	21%	0.213	C	C	.	.	S	Bend	trans	-128.3	-154.6	176.7	-88.8	-71.2	0	0	0	109.7	L862 N865 R866 L867 L885 D886 L890 N910 N911	L862-N888 PolarHBondContact O-ND2 3.06Å; N865-N888 WeakPolarHBondContact CA-OD1 3.29Å; N865-N888 WeakPolarHBondContact CB-OD1 3.41Å; R866-N888 PolarHBondContact N-OD1 3.32Å; L867-N888 HydrophobicContact CB-CB 4.25Å; L867-N888 VanDerWaalsContact CB-OD1 3.29Å; L867-N888 WeakPolarHBondContact CB-OD1 3.46Å; L867-N888 VanDerWaalsContact CG-OD1 3.25Å; L867-N888 WeakPolarHBondContact CG-OD1 3.41Å; L867-N888 PolarHBondContact N-OD1 2.74Å; L885-N888 WeakPolarHBondContact O-CB 3.43Å; L885-N888 PolarHBondContact O-ND2 3.33Å; D886-N888 PolarHBondContact O-ND2 3.04Å; N888-L890 HydrophobicContact CB-CG 4.36Å; N888-N910 PolarHBondContact N-O 2.75Å; N888-N911 WeakPolarHBondContact CA-OD1 3.36Å; N888-N911 WeakPolarHBondContact CB-OD1 3.22Å
889	R	92.3	Very high	93.6	Very high	143 Å²	143	44.9 Å²	44.9	54%	0.54	22%	0.215	S	C	.	.			trans	-134.3	28.6	-179.8	-60.4	-179.8	178.9	-168.1	-7.2	111	L867 A868 T891 N911 M912	L867-R889 CarbonylContact O-C 3.52Å; L867-R889 VanDerWaalsContact O-CA 3.25Å; L867-R889 WeakPolarHBondContact O-CA 3.32Å; L867-R889 WeakPolarHBondContact O-CB 3.5Å; L867-R889 PolarHBondContact O-N 3.11Å; A868-R889 WeakPolarHBondContact CA-O 3.2Å; R889-T891 PolarHBondContact O-N 3.47Å; R889-N911 PolarHBondContact N-OD1 3.27Å; R889-M912 HydrophobicContact CB-CE 3.87Å; R889-M912 WeakPolarHBondContact O-CE 3.43Å
890	L	94.1	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.			trans	-65.2	131.8	179.8	-60.3	177	0	0	0	109.3	L867 L870 L885 N888 L893 N911 M912 I913	L867-L890 HydrophobicContact CB-CD2 4.19Å; L867-L890 PolarHBondContact O-N 2.79Å; L870-L890 HydrophobicContact CB-CD2 4.3Å; L885-L890 HydrophobicContact CB-CD1 4.03Å; L885-L890 HydrophobicContact CD1-CD1 4.13Å; L885-L890 HydrophobicContact CD2-CD1 4.4Å; L885-L890 HydrophobicContact CG-CD1 4.43Å; N888-L890 HydrophobicContact CB-CG 4.36Å; L890-L893 HydrophobicContact CD1-CD2 4.35Å; L890-N911 HydrophobicContact CB-CB 4.25Å; L890-N911 WeakPolarHBondContact CB-OD1 3.34Å; L890-N911 WeakPolarHBondContact CG-OD1 3.49Å; L890-N911 PolarHBondContact N-OD1 3.09Å; L890-M912 CarbonylContact O-C 3.54Å; L890-M912 VanDerWaalsContact O-C 3.26Å; L890-M912 WeakPolarHBondContact O-CA 3.42Å; L890-M912 PolarHBondContact O-N 3.29Å; L890-I913 HydrophobicContact CB-CD1 4.38Å; L890-I913 HydrophobicContact CB-CG1 4.27Å; L890-I913 PolarHBondContact O-N 3.11Å
891	T	93.3	Very high	93.4	Very high	67 Å²	67	46.2 Å²	46.2	41%	0.411	23%	0.226	S	C	.	.	S	Bend	trans	-102.1	-19.9	176.5	44.5	0	0	0	0	112.7	R889 M912	R889-T891 PolarHBondContact O-N 3.47Å; T891-M912 HydrophobicContact CG2-CB 4.27Å; T891-M912 HydrophobicContact CG2-CE 3.91Å
892	F	94.7	Very high	93.3	Very high	109 Å²	109	46.6 Å²	46.6	48%	0.478	23%	0.227	S	C	.	.			trans	-154.1	167	176.1	63.8	-85.4	0	0	0	110
893	L	94.6	Very high	93.3	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.216	C	C	.	.			trans	-107.1	140.5	165.8	-65.7	173.5	0	0	0	109.8	L870 L890 I897 L906 V908 I913 L916 P917	L870-L893 HydrophobicContact CD2-CD2 4.25Å; L890-L893 HydrophobicContact CD1-CD2 4.35Å; L893-I897 HydrophobicContact CB-CG2 4.45Å; L893-I897 HydrophobicContact CD1-CD1 4.3Å; L893-I897 HydrophobicContact CD2-CD1 4.24Å; L893-L906 HydrophobicContact CD1-CD2 4.34Å; L893-V908 HydrophobicContact CD1-CG1 4.38Å; L893-V908 HydrophobicContact CD1-CG2 4.48Å; L893-V908 HydrophobicContact CD2-CG1 4Å; L893-I913 HydrophobicContact CD1-CD1 4.45Å; L893-I913 HydrophobicContact CD2-CD1 4.31Å; L893-I913 HydrophobicContact CG-CD1 4.06Å; L893-L916 HydrophobicContact CD1-CD2 4.19Å; L893-P917 HydrophobicContact CB-CG 4.29Å
894	P	93.2	Very high	93.2	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.065	23%	0.228	C	C	.	.			trans	-68.5	145	178.7	30	-36.2	0	0	0	111.2	L870 I874 E896 I897	L870-P894 HydrophobicContact CB-CG 4.31Å; L870-P894 HydrophobicContact CD2-CG 4.12Å; L870-P894 HydrophobicContact CG-CG 4.33Å; I874-P894 HydrophobicContact CG2-CG 4.47Å; P894-E896 WeakPolarHBondContact CB-OE2 3.47Å; P894-E896 PolarHBondContact O-N 3.23Å; P894-E896 VanDerWaalsContact O-N 3.14Å; P894-I897 WeakPolarHBondContact O-CB 3.4Å; P894-I897 WeakPolarHBondContact O-CG2 3.24Å; P894-I897 PolarHBondContact O-N 2.93Å
895	N	91.3	Very high	93.3	Very high	103 Å²	103	49.3 Å²	49.3	55%	0.551	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-56.5	-31.1	177.9	-72.1	-5.7	0	0	0	112.2	I897 G898 P917 T919	N895-I897 PolarHBondContact O-N 2.93Å; N895-I897 VanDerWaalsContact O-N 3.12Å; N895-G898 PolarHBondContact O-N 2.96Å; N895-P917 WeakPolarHBondContact OD1-CB 3.38Å; N895-T919 HydrophobicContact CB-CG2 4.47Å; N895-T919 WeakPolarHBondContact O-CB 3.39Å; N895-T919 PolarHBondContact O-OG1 3.28Å
896	E	93.2	Very high	93.3	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-65.3	-12	178.8	-59.4	90.1	155	0	0	113.6	S872 S875 P894 G898 L899	S872-E896 VanDerWaalsContact CB-CD 3.45Å; S872-E896 WeakPolarHBondContact CB-OE1 3.48Å; S875-E896 WeakPolarHBondContact CB-O 3.46Å; P894-E896 WeakPolarHBondContact CB-OE2 3.47Å; P894-E896 PolarHBondContact O-N 3.23Å; P894-E896 VanDerWaalsContact O-N 3.14Å; E896-G898 PolarHBondContact O-N 3.49Å; E896-L899 HydrophobicContact CB-CD1 4.29Å; E896-L899 HydrophobicContact CG-CD1 4.38Å; E896-L899 WeakPolarHBondContact O-CB 3.23Å; E896-L899 PolarHBondContact O-N 3.16Å
897	I	93.8	Very high	93.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-63.3	-30.7	174	-156.1	169.5	0	0	0	112.1	L870 L883 L893 P894 N895 L899 L900 L906 P917 I920	L870-I897 HydrophobicContact CD2-CD1 3.99Å; L883-I897 HydrophobicContact CD2-CD1 4.32Å; L893-I897 HydrophobicContact CB-CG2 4.45Å; L893-I897 HydrophobicContact CD1-CD1 4.3Å; L893-I897 HydrophobicContact CD2-CD1 4.24Å; P894-I897 WeakPolarHBondContact O-CB 3.4Å; P894-I897 WeakPolarHBondContact O-CG2 3.24Å; P894-I897 PolarHBondContact O-N 2.93Å; N895-I897 PolarHBondContact O-N 2.93Å; N895-I897 VanDerWaalsContact O-N 3.12Å; I897-L899 PolarHBondContact O-N 3.2Å; I897-L900 HydrophobicContact CG1-CD1 4.18Å; I897-L900 PolarHBondContact O-N 3.4Å; I897-L906 HydrophobicContact CD1-CD1 4.05Å; I897-L906 HydrophobicContact CD1-CD2 3.73Å; I897-P917 HydrophobicContact CG2-CG 4.14Å; I897-I920 HydrophobicContact CG2-CD1 3.88Å
898	G	90.1	Very high	94.1	Very high	6 Å²	6	44.9 Å²	44.9	6%	0.062	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.6	-20	176.8	0	0	0	0	0	114.1	N895 E896 L900 T919 L923	N895-G898 PolarHBondContact O-N 2.96Å; E896-G898 PolarHBondContact O-N 3.49Å; G898-L900 VanDerWaalsContact C-N 3.26Å; G898-L900 PolarHBondContact O-N 3.46Å; G898-T919 VanDerWaalsContact CA-O 3.24Å; G898-T919 WeakPolarHBondContact CA-O 3.32Å; G898-L923 WeakPolarHBondContact O-CD2 3.35Å
899	L	90.4	Very high	94.2	Very high	105 Å²	105	44.4 Å²	44.4	55%	0.55	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-81.2	1.3	-178	-56.8	176.4	0	0	0	113.6	E896 I897 P901	E896-L899 HydrophobicContact CB-CD1 4.29Å; E896-L899 HydrophobicContact CG-CD1 4.38Å; E896-L899 WeakPolarHBondContact O-CB 3.23Å; E896-L899 PolarHBondContact O-N 3.16Å; I897-L899 PolarHBondContact O-N 3.2Å; L899-P901 WeakPolarHBondContact O-CD 3.12Å
900	L	93.5	Very high	94.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.209	C	C	.	.			trans	-80.5	102.5	-177.4	-77.7	170.4	0	0	0	112	I874 F877 L880 I897 G898 K902 L903 L923	I874-L900 HydrophobicContact CG1-CD1 4.39Å; I874-L900 WeakPolarHBondContact O-CD2 3.36Å; F877-L900 WeakPolarHBondContact O-CD2 3.19Å; L880-L900 HydrophobicContact CB-CD2 4.37Å; L880-L900 HydrophobicContact CD2-CD1 4.25Å; I897-L900 HydrophobicContact CG1-CD1 4.18Å; I897-L900 PolarHBondContact O-N 3.4Å; G898-L900 VanDerWaalsContact C-N 3.26Å; G898-L900 PolarHBondContact O-N 3.46Å; L900-K902 PolarHBondContact O-N 2.79Å; L900-L903 HydrophobicContact CB-CB 3.98Å; L900-L903 HydrophobicContact CD1-CD1 4.44Å; L900-L903 HydrophobicContact CD1-CD2 4.04Å; L900-L903 PolarHBondContact O-N 2.97Å; L900-L923 HydrophobicContact CB-CD2 4.18Å; L900-L923 WeakPolarHBondContact O-CD2 3.07Å
901	P	90.1	Very high	94.3	Very high	70 Å²	70	40.8 Å²	40.8	46%	0.455	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.9	-164.5	33.3	-35.7	0	0	0	114	L899 R925	L899-P901 WeakPolarHBondContact O-CD 3.12Å; P901-R925 WeakPolarHBondContact O-CD 3.36Å; P901-R925 PolarHBondContact O-NH1 3.22Å
902	K	94.8	Very high	94.3	Very high	77 Å²	77	42 Å²	42	34%	0.335	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	7.7	-177.1	-54.7	-163.3	-163.5	177.5	0	114	E878 N879 L880 K881 L900 E904	E878-K902 WeakPolarHBondContact O-CG 3.37Å; N879-K902 WeakPolarHBondContact OD1-CE 3.33Å; N879-K902 PolarHBondContact OD1-NZ 2.89Å; L880-K902 CarbonylContact O-C 3.58Å; K881-K902 WeakPolarHBondContact CA-O 3.42Å; K881-K902 WeakPolarHBondContact CG-O 3.42Å; L900-K902 PolarHBondContact O-N 2.79Å; K902-E904 PolarHBondContact O-N 2.94Å
903	L	96.8	Very high	94.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.192	C	C	.	.			trans	-68.9	120.5	-177.9	-162.2	68.3	0	0	0	110.3	L880 L883 L900 L906 L923 R925 L926	L880-L903 HydrophobicContact CD2-CD1 4.35Å; L880-L903 HydrophobicContact CG-CD1 4.17Å; L880-L903 VanDerWaalsContact O-CA 3.28Å; L880-L903 WeakPolarHBondContact O-CA 3.29Å; L880-L903 PolarHBondContact O-N 2.78Å; L883-L903 HydrophobicContact CB-CD1 3.98Å; L900-L903 HydrophobicContact CB-CB 3.98Å; L900-L903 HydrophobicContact CD1-CD1 4.44Å; L900-L903 HydrophobicContact CD1-CD2 4.04Å; L900-L903 PolarHBondContact O-N 2.97Å; L903-L906 HydrophobicContact CD2-CB 4.16Å; L903-L923 HydrophobicContact CB-CD2 4.4Å; L903-L923 HydrophobicContact CD2-CD1 4.18Å; L903-R925 CarbonylContact O-C 3.41Å; L903-L926 HydrophobicContact CB-CD1 4.28Å; L903-L926 HydrophobicContact CD2-CD1 3.96Å; L903-L926 HydrophobicContact CG-CD1 3.78Å; L903-L926 VanDerWaalsContact O-CA 3.32Å; L903-L926 WeakPolarHBondContact O-CA 3.27Å; L903-L926 PolarHBondContact O-N 2.84Å; L903-L926 VanDerWaalsContact O-N 3.15Å
904	E	97.2	Very high	94.3	Very high	55 Å²	55	40.1 Å²	40.1	26%	0.257	22%	0.215	S	C	.	.			trans	-108.7	-29.6	-176.9	-77.8	162.5	-164.9	0	0	111.2	K881 K902 K927 L928	K881-E904 HydrophobicContact CB-CB 4.49Å; K881-E904 IonicContact NZ-OE1 2.76Å; K881-E904 PolarHBondContact NZ-OE1 3.33Å; K881-E904 IonicContact NZ-OE2 2.86Å; K881-E904 PolarHBondContact NZ-OE2 3.02Å; K881-E904 WeakPolarHBondContact O-CA 3.48Å; K881-E904 PolarHBondContact O-N 3.27Å; K902-E904 PolarHBondContact O-N 2.94Å; E904-K927 WeakPolarHBondContact O-CA 3.33Å; E904-K927 PolarHBondContact O-N 2.91Å; E904-L928 PolarHBondContact O-N 2.99Å
905	Q	98	Very high	94.4	Very high	86 Å²	86	42.4 Å²	42.4	40%	0.402	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.6	179	-58.1	-177	-18.1	0	0	111.5	K881 H882 L883 L928	K881-Q905 PolarHBondContact O-N 3.2Å; H882-Q905 WeakPolarHBondContact CA-O 3.34Å; H882-Q905 VanDerWaalsContact ND1-CD 3.31Å; H882-Q905 PolarHBondContact ND1-OE1 3.15Å; L883-Q905 PolarHBondContact N-O 2.67Å; Q905-L928 WeakPolarHBondContact CA-O 3.45Å; Q905-L928 HydrophobicContact CB-CB 4.39Å; Q905-L928 HydrophobicContact CG-CB 4.07Å
906	L	97.9	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.4	174.3	178.3	58.5	0	0	0	109.3	L883 L893 I897 L903 V908 I920 L926 L928 L929 N930	L883-L906 HydrophobicContact CB-CD1 4.01Å; L883-L906 HydrophobicContact CD2-CD1 3.92Å; L883-L906 HydrophobicContact CG-CD1 3.93Å; L893-L906 HydrophobicContact CD1-CD2 4.34Å; I897-L906 HydrophobicContact CD1-CD1 4.05Å; I897-L906 HydrophobicContact CD1-CD2 3.73Å; L903-L906 HydrophobicContact CD2-CB 4.16Å; L906-V908 HydrophobicContact CD1-CG1 3.88Å; L906-V908 HydrophobicContact CG-CG1 4.27Å; L906-I920 HydrophobicContact CD2-CD1 4.02Å; L906-L926 HydrophobicContact CB-CD1 3.92Å; L906-L926 HydrophobicContact CB-CD2 4.31Å; L906-L928 PolarHBondContact N-O 2.87Å; L906-L929 HydrophobicContact CB-CD1 4.08Å; L906-L929 HydrophobicContact CD2-CD1 3.87Å; L906-L929 HydrophobicContact CG-CD1 4.02Å; L906-L929 WeakPolarHBondContact O-CA 3.5Å; L906-N930 PolarHBondContact O-N 2.95Å
907	S	97.8	Very high	94.6	Very high	17 Å²	17	35.8 Å²	35.8	12%	0.119	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.7	176.6	-164.6	0	0	0	0	109.5	L883 L885 D886	L883-S907 PolarHBondContact O-N 3.48Å; L885-S907 PolarHBondContact N-O 3.31Å; D886-S907 WeakPolarHBondContact OD1-CB 3.5Å; D886-S907 PolarHBondContact OD1-OG 2.75Å
908	V	97	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.			trans	-131	28.2	-176.5	-70.8	0	0	0	0	110.6	L885 L893 L906 N911 I913 N930 L931 N934	L885-V908 HydrophobicContact CB-CG1 3.89Å; L885-V908 HydrophobicContact CD1-CG1 3.84Å; L885-V908 HydrophobicContact CG-CG1 4.49Å; L893-V908 HydrophobicContact CD1-CG1 4.38Å; L893-V908 HydrophobicContact CD1-CG2 4.48Å; L893-V908 HydrophobicContact CD2-CG1 4Å; L906-V908 HydrophobicContact CD1-CG1 3.88Å; L906-V908 HydrophobicContact CG-CG1 4.27Å; V908-N911 PolarHBondContact O-ND2 3.21Å; V908-I913 HydrophobicContact CB-CD1 4.1Å; V908-I913 HydrophobicContact CG2-CD1 4.16Å; V908-N930 VanDerWaalsContact CG2-O 3.27Å; V908-N930 WeakPolarHBondContact CG2-O 3.31Å; V908-N930 PolarHBondContact N-O 2.73Å; V908-L931 HydrophobicContact CG2-CD2 3.4Å; V908-L931 VanDerWaalsContact CG2-CD2 3.4Å; V908-L931 HydrophobicContact CG2-CG 4.12Å; V908-N934 PolarHBondContact O-ND2 3.06Å; V908-N934 VanDerWaalsContact O-ND2 3.1Å
909	S	94.4	Very high	94.5	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.035	23%	0.233	C	C	.	.			trans	-65.2	158.2	-176.6	65.8	0	0	0	0	112.8	D886 Y887 N911 S932	D886-S909 CarbonylContact C-O 3.59Å; D886-S909 WeakPolarHBondContact CA-O 3.39Å; D886-S909 WeakPolarHBondContact CB-OG 3.45Å; D886-S909 PolarHBondContact OD1-N 2.85Å; D886-S909 VanDerWaalsContact OD1-N 3.11Å; D886-S909 PolarHBondContact OD1-OG 3.44Å; Y887-S909 PolarHBondContact N-O 3.4Å; S909-N911 PolarHBondContact O-ND2 3.24Å; S909-N911 VanDerWaalsContact O-ND2 3.14Å; S909-S932 CarbonylContact C-O 3.59Å; S909-S932 WeakPolarHBondContact CA-O 3.38Å; S909-S932 VanDerWaalsContact CB-O 3.3Å; S909-S932 WeakPolarHBondContact CB-O 3.32Å; S909-S932 VanDerWaalsContact CB-OG 3.25Å; S909-S932 WeakPolarHBondContact CB-OG 3.09Å
910	N	94.2	Very high	94.7	Very high	54 Å²	54	37.4 Å²	37.4	29%	0.289	21%	0.207	S	C	.	.	S	Bend	trans	54.8	58.7	179.4	-68.6	-101.9	0	0	0	111.7	Y887 N888 S932 A933	Y887-N910 VanDerWaalsContact CA-O 3.29Å; Y887-N910 WeakPolarHBondContact CA-O 3.17Å; Y887-N910 HydrophobicContact CD1-CB 3.72Å; Y887-N910 HydrophobicContact CD2-CB 4.04Å; Y887-N910 HydrophobicContact CE1-CB 3.86Å; Y887-N910 WeakPolarHBondContact CE1-OD1 3.18Å; Y887-N910 HydrophobicContact CE2-CB 4.12Å; Y887-N910 HydrophobicContact CG-CB 3.82Å; Y887-N910 VanDerWaalsContact CZ-CG 3.46Å; Y887-N910 PolarHBondContact N-O 3.32Å; N888-N910 PolarHBondContact N-O 2.75Å; N910-S932 PolarHBondContact N-O 2.93Å; N910-A933 WeakPolarHBondContact CA-O 3.4Å; N910-A933 HydrophobicContact CB-CB 4.46Å; N910-A933 PolarHBondContact N-O 3.01Å; N910-A933 VanDerWaalsContact N-O 3.12Å
911	N	93.1	Very high	94.6	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.064	21%	0.206	C	C	.	.	S	Bend	trans	-133.8	-165.8	175.7	-83.6	-78	0	0	0	109.3	L885 N888 R889 L890 V908 S909 I913 A933 N934	L885-N911 PolarHBondContact O-ND2 2.85Å; L885-N911 VanDerWaalsContact O-ND2 3.13Å; N888-N911 WeakPolarHBondContact CA-OD1 3.36Å; N888-N911 WeakPolarHBondContact CB-OD1 3.22Å; R889-N911 PolarHBondContact N-OD1 3.27Å; L890-N911 HydrophobicContact CB-CB 4.25Å; L890-N911 WeakPolarHBondContact CB-OD1 3.34Å; L890-N911 WeakPolarHBondContact CG-OD1 3.49Å; L890-N911 PolarHBondContact N-OD1 3.09Å; V908-N911 PolarHBondContact O-ND2 3.21Å; S909-N911 PolarHBondContact O-ND2 3.24Å; S909-N911 VanDerWaalsContact O-ND2 3.14Å; N911-I913 HydrophobicContact CB-CD1 4.33Å; N911-I913 HydrophobicContact CB-CG1 4.27Å; N911-A933 PolarHBondContact N-O 2.89Å; N911-A933 VanDerWaalsContact N-O 3.14Å; N911-N934 WeakPolarHBondContact CA-OD1 3.38Å; N911-N934 WeakPolarHBondContact CB-OD1 3.16Å; N911-N934 PolarHBondContact O-OD1 3.43Å
912	M	93.5	Very high	94.6	Very high	94 Å²	94	38.6 Å²	38.6	46%	0.463	21%	0.207	S	C	.	.			trans	-122.8	32.2	-177.9	-58	179.8	-57.1	0	0	111.1	R889 L890 T891 N934	R889-M912 HydrophobicContact CB-CE 3.87Å; R889-M912 WeakPolarHBondContact O-CE 3.43Å; L890-M912 CarbonylContact O-C 3.54Å; L890-M912 VanDerWaalsContact O-C 3.26Å; L890-M912 WeakPolarHBondContact O-CA 3.42Å; L890-M912 PolarHBondContact O-N 3.29Å; T891-M912 HydrophobicContact CG2-CB 4.27Å; T891-M912 HydrophobicContact CG2-CE 3.91Å; M912-N934 PolarHBondContact N-OD1 3.14Å
913	I	95.6	Very high	94.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-77.3	129.8	-177.5	-58.2	167	0	0	0	109.2	L890 L893 V908 N911 A915 N934 C935 F936	L890-I913 HydrophobicContact CB-CD1 4.38Å; L890-I913 HydrophobicContact CB-CG1 4.27Å; L890-I913 PolarHBondContact O-N 3.11Å; L893-I913 HydrophobicContact CD1-CD1 4.45Å; L893-I913 HydrophobicContact CD2-CD1 4.31Å; L893-I913 HydrophobicContact CG-CD1 4.06Å; V908-I913 HydrophobicContact CB-CD1 4.1Å; V908-I913 HydrophobicContact CG2-CD1 4.16Å; N911-I913 HydrophobicContact CB-CD1 4.33Å; N911-I913 HydrophobicContact CB-CG1 4.27Å; I913-A915 WeakPolarHBondContact CG2-O 3.39Å; I913-N934 WeakPolarHBondContact CB-OD1 3.32Å; I913-N934 PolarHBondContact N-OD1 2.94Å; I913-C935 CarbonylContact O-C 3.42Å; I913-C935 WeakPolarHBondContact O-CA 3.34Å; I913-C935 PolarHBondContact O-N 3.13Å; I913-F936 HydrophobicContact CB-CE2 4.21Å; I913-F936 HydrophobicContact CB-CZ 4.46Å; I913-F936 HydrophobicContact CG2-CE2 3.91Å; I913-F936 HydrophobicContact CG2-CZ 3.66Å
914	S	94.2	Very high	94.2	Very high	74 Å²	74	41.4 Å²	41.4	52%	0.517	22%	0.219	S	C	.	.			trans	-110.2	-13.8	176.4	61.9	0	0	0	0	114.3	F936	S914-F936 WeakPolarHBondContact O-CD1 3.23Å
915	A	95.5	Very high	94	Very high	58 Å²	58	45.3 Å²	45.3	48%	0.479	23%	0.232	S	C	.	.			trans	-148.7	153.9	-179.4	0	0	0	0	0	111.2	I913	I913-A915 WeakPolarHBondContact CG2-O 3.39Å
916	L	95.2	Very high	94	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.115	21%	0.213	C	C	.	.			trans	-101	149.6	170.7	-68.4	179	0	0	0	110.7	L893 I920 L931 F936 P940 L943	L893-L916 HydrophobicContact CD1-CD2 4.19Å; L916-I920 HydrophobicContact CB-CG2 4.15Å; L916-I920 HydrophobicContact CD1-CG2 4.08Å; L916-L931 HydrophobicContact CD1-CD1 3.79Å; L916-L931 HydrophobicContact CD2-CD1 4.08Å; L916-L931 HydrophobicContact CD2-CD2 3.77Å; L916-L931 HydrophobicContact CG-CD1 4.36Å; L916-F936 HydrophobicContact CD2-CZ 3.94Å; L916-F936 HydrophobicContact CG-CE1 3.98Å; L916-F936 HydrophobicContact CG-CZ 3.82Å; L916-P940 HydrophobicContact CD1-CB 3.93Å; L916-P940 HydrophobicContact CD1-CG 4.08Å; L916-P940 HydrophobicContact CG-CB 4.2Å; L916-L943 HydrophobicContact CD1-CD1 4.48Å; L916-L943 HydrophobicContact CD1-CD2 3.63Å; L916-L943 HydrophobicContact CD1-CG 4Å
917	P	94.1	Very high	93.9	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.071	23%	0.227	C	C	.	.			trans	-70.2	140.5	167.6	31.1	-34.4	0	0	0	110.3	L893 N895 I897 T919 I920	L893-P917 HydrophobicContact CB-CG 4.29Å; N895-P917 WeakPolarHBondContact OD1-CB 3.38Å; I897-P917 HydrophobicContact CG2-CG 4.14Å; P917-T919 PolarHBondContact O-N 2.89Å; P917-T919 VanDerWaalsContact O-N 3.13Å; P917-I920 VanDerWaalsContact O-CB 3.31Å; P917-I920 WeakPolarHBondContact O-CB 3.37Å; P917-I920 VanDerWaalsContact O-CG2 3.24Å; P917-I920 WeakPolarHBondContact O-CG2 3.41Å; P917-I920 PolarHBondContact O-N 2.65Å
918	E	89.7	Confident	93.9	Very high	117 Å²	117	46.6 Å²	46.6	55%	0.547	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-49.6	-38.7	176	-75.5	-66	153.7	0	0	112.8	I920 G921	E918-I920 PolarHBondContact O-N 3.38Å; E918-G921 PolarHBondContact O-N 2.67Å; E918-G921 VanDerWaalsContact O-N 3.11Å
919	T	92.7	Very high	94	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.172	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.5	-12.1	179.6	58.1	0	0	0	0	114.1	N895 G898 P917 G921 E922	N895-T919 HydrophobicContact CB-CG2 4.47Å; N895-T919 WeakPolarHBondContact O-CB 3.39Å; N895-T919 PolarHBondContact O-OG1 3.28Å; G898-T919 VanDerWaalsContact CA-O 3.24Å; G898-T919 WeakPolarHBondContact CA-O 3.32Å; P917-T919 PolarHBondContact O-N 2.89Å; P917-T919 VanDerWaalsContact O-N 3.13Å; T919-G921 PolarHBondContact O-N 2.75Å; T919-E922 WeakPolarHBondContact O-CB 3.4Å; T919-E922 PolarHBondContact O-N 3.36Å
920	I	94.5	Very high	94.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-59.6	-30.9	172.6	-154.8	73.2	0	0	0	111.5	I897 L906 L916 P917 E918 E922 L923 A942 L943	I897-I920 HydrophobicContact CG2-CD1 3.88Å; L906-I920 HydrophobicContact CD2-CD1 4.02Å; L916-I920 HydrophobicContact CB-CG2 4.15Å; L916-I920 HydrophobicContact CD1-CG2 4.08Å; P917-I920 VanDerWaalsContact O-CB 3.31Å; P917-I920 WeakPolarHBondContact O-CB 3.37Å; P917-I920 VanDerWaalsContact O-CG2 3.24Å; P917-I920 WeakPolarHBondContact O-CG2 3.41Å; P917-I920 PolarHBondContact O-N 2.65Å; E918-I920 PolarHBondContact O-N 3.38Å; I920-E922 PolarHBondContact O-N 2.96Å; I920-L923 HydrophobicContact CD1-CD1 3.74Å; I920-L923 HydrophobicContact CG1-CD1 4.35Å; I920-L923 PolarHBondContact O-N 2.8Å; I920-A942 HydrophobicContact CG2-CB 3.92Å; I920-L943 HydrophobicContact CG2-CD2 4.44Å
921	G	89.5	Confident	94.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-65.1	-18	175.7	0	0	0	0	0	114.3	E918 T919 K924	E918-G921 PolarHBondContact O-N 2.67Å; E918-G921 VanDerWaalsContact O-N 3.11Å; T919-G921 PolarHBondContact O-N 2.75Å; G921-K924 PolarHBondContact O-NZ 2.76Å
922	E	90.2	Very high	94.4	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-80.6	-15.1	-179.3	-58.7	-176.6	161.9	0	0	113	T919 I920 K924	T919-E922 WeakPolarHBondContact O-CB 3.4Å; T919-E922 PolarHBondContact O-N 3.36Å; I920-E922 PolarHBondContact O-N 2.96Å; E922-K924 VanDerWaalsContact C-N 3.3Å; E922-K924 WeakPolarHBondContact O-CD 3.43Å; E922-K924 WeakPolarHBondContact O-CG 3.44Å; E922-K924 PolarHBondContact O-N 3.26Å
923	L	93.7	Very high	94.3	Very high	9 Å²	9	42 Å²	42	5%	0.047	22%	0.218	C	C	.	.			trans	-71.8	73.2	-176.5	-68	174.8	0	0	0	113.5	G898 L900 L903 I920 R925 L926 M946	G898-L923 WeakPolarHBondContact O-CD2 3.35Å; L900-L923 HydrophobicContact CB-CD2 4.18Å; L900-L923 WeakPolarHBondContact O-CD2 3.07Å; L903-L923 HydrophobicContact CB-CD2 4.4Å; L903-L923 HydrophobicContact CD2-CD1 4.18Å; I920-L923 HydrophobicContact CD1-CD1 3.74Å; I920-L923 HydrophobicContact CG1-CD1 4.35Å; I920-L923 PolarHBondContact O-N 2.8Å; L923-R925 PolarHBondContact O-N 2.98Å; L923-L926 HydrophobicContact CB-CB 4Å; L923-L926 HydrophobicContact CD1-CD2 4.28Å; L923-L926 PolarHBondContact O-N 2.89Å; L923-M946 HydrophobicContact CB-CE 4.33Å
924	K	89.5	Confident	94.3	Very high	128 Å²	128	42.5 Å²	42.5	56%	0.557	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-6.4	-173.9	-52.7	-44.9	177.2	-168.6	0	115.7	G921 E922	G921-K924 PolarHBondContact O-NZ 2.76Å; E922-K924 VanDerWaalsContact C-N 3.3Å; E922-K924 WeakPolarHBondContact O-CD 3.43Å; E922-K924 WeakPolarHBondContact O-CG 3.44Å; E922-K924 PolarHBondContact O-N 3.26Å
925	R	94.7	Very high	94.3	Very high	136 Å²	136	41.3 Å²	41.3	51%	0.513	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.8	175.1	-72	-170.6	174.5	135.7	-3.6	114.6	P901 L903 L923 K927	P901-R925 WeakPolarHBondContact O-CD 3.36Å; P901-R925 PolarHBondContact O-NH1 3.22Å; L903-R925 CarbonylContact O-C 3.41Å; L923-R925 PolarHBondContact O-N 2.98Å; R925-K927 PolarHBondContact O-N 2.95Å
926	L	96.8	Very high	94.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.189	C	C	.	.			trans	-68.8	124	-176.4	-159.7	74.9	0	0	0	110.1	L903 L906 L923 L929 M946 I949	L903-L926 HydrophobicContact CB-CD1 4.28Å; L903-L926 HydrophobicContact CD2-CD1 3.96Å; L903-L926 HydrophobicContact CG-CD1 3.78Å; L903-L926 VanDerWaalsContact O-CA 3.32Å; L903-L926 WeakPolarHBondContact O-CA 3.27Å; L903-L926 PolarHBondContact O-N 2.84Å; L903-L926 VanDerWaalsContact O-N 3.15Å; L906-L926 HydrophobicContact CB-CD1 3.92Å; L906-L926 HydrophobicContact CB-CD2 4.31Å; L923-L926 HydrophobicContact CB-CB 4Å; L923-L926 HydrophobicContact CD1-CD2 4.28Å; L923-L926 PolarHBondContact O-N 2.89Å; L926-L929 HydrophobicContact CD2-CB 3.91Å; L926-L929 HydrophobicContact CD2-CD1 4.2Å; L926-L929 HydrophobicContact CD2-CD2 4.42Å; L926-L929 HydrophobicContact CD2-CG 4.41Å; L926-M946 HydrophobicContact CB-CE 3.89Å; L926-M946 HydrophobicContact CD2-CE 3.82Å; L926-M946 HydrophobicContact CG-CE 4.46Å; L926-I949 HydrophobicContact CD2-CD1 4.29Å; L926-I949 WeakPolarHBondContact O-CA 3.49Å
927	K	97	Very high	94.3	Very high	70 Å²	70	41.2 Å²	41.2	30%	0.304	21%	0.206	S	C	.	.			trans	-107.1	-32.3	179.9	-63.3	-45.9	-142.9	144.7	0	113.4	E904 R925 Q948 D950 V951	E904-K927 WeakPolarHBondContact O-CA 3.33Å; E904-K927 PolarHBondContact O-N 2.91Å; R925-K927 PolarHBondContact O-N 2.95Å; K927-Q948 WeakPolarHBondContact CD-O 3.48Å; K927-Q948 PolarHBondContact NZ-O 3.04Å; K927-D950 HydrophobicContact CB-CB 4.49Å; K927-D950 WeakPolarHBondContact CD-OD2 3.35Å; K927-D950 WeakPolarHBondContact CE-OD2 3.46Å; K927-D950 IonicContact NZ-OD1 2.67Å; K927-D950 PolarHBondContact NZ-OD1 2.93Å; K927-D950 IonicContact NZ-OD2 2.73Å; K927-D950 PolarHBondContact NZ-OD2 3.28Å; K927-D950 CarbonylContact O-C 3.53Å; K927-D950 WeakPolarHBondContact O-CA 3.4Å; K927-D950 WeakPolarHBondContact O-CB 3.4Å; K927-D950 PolarHBondContact O-N 3.14Å; K927-V951 PolarHBondContact O-N 2.89Å
928	L	98	Very high	94.4	Very high	58 Å²	58	47.6 Å²	47.6	30%	0.304	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.4	177	-172	156.9	0	0	0	110	E904 Q905 L906 N930 V951	E904-L928 PolarHBondContact O-N 2.99Å; Q905-L928 WeakPolarHBondContact CA-O 3.45Å; Q905-L928 HydrophobicContact CB-CB 4.39Å; Q905-L928 HydrophobicContact CG-CB 4.07Å; L906-L928 PolarHBondContact N-O 2.87Å; L928-N930 HydrophobicContact CD2-CB 4.06Å; L928-V951 WeakPolarHBondContact CA-O 3.17Å; L928-V951 HydrophobicContact CG-CB 4.48Å
929	L	97.9	Very high	94.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.8	171.5	179.6	56.4	0	0	0	109.6	L906 L926 L931 L943 M946 I949 V951 I952 D953	L906-L929 HydrophobicContact CB-CD1 4.08Å; L906-L929 HydrophobicContact CD2-CD1 3.87Å; L906-L929 HydrophobicContact CG-CD1 4.02Å; L906-L929 WeakPolarHBondContact O-CA 3.5Å; L926-L929 HydrophobicContact CD2-CB 3.91Å; L926-L929 HydrophobicContact CD2-CD1 4.2Å; L926-L929 HydrophobicContact CD2-CD2 4.42Å; L926-L929 HydrophobicContact CD2-CG 4.41Å; L929-L931 HydrophobicContact CD1-CD1 4.13Å; L929-L931 HydrophobicContact CD1-CG 4.11Å; L929-L931 HydrophobicContact CD2-CD1 3.78Å; L929-L931 HydrophobicContact CG-CD1 3.77Å; L929-L931 HydrophobicContact CG-CG 4.1Å; L929-L943 HydrophobicContact CD2-CD2 3.52Å; L929-M946 HydrophobicContact CD2-SD 4.4Å; L929-I949 HydrophobicContact CB-CD1 3.7Å; L929-I949 HydrophobicContact CD2-CD1 4.47Å; L929-V951 PolarHBondContact N-O 2.96Å; L929-I952 WeakPolarHBondContact O-CA 3.17Å; L929-D953 PolarHBondContact O-N 3.09Å
930	N	97.9	Very high	94.8	Very high	31 Å²	31	41.8 Å²	41.8	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.2	176.6	-175.2	-8.5	0	0	0	110.9	L906 V908 L928 S932 D953	L906-N930 PolarHBondContact O-N 2.95Å; V908-N930 VanDerWaalsContact CG2-O 3.27Å; V908-N930 WeakPolarHBondContact CG2-O 3.31Å; V908-N930 PolarHBondContact N-O 2.73Å; L928-N930 HydrophobicContact CD2-CB 4.06Å; N930-S932 WeakPolarHBondContact OD1-CB 3.49Å; N930-S932 PolarHBondContact OD1-N 3.14Å; N930-S932 PolarHBondContact OD1-OG 3.19Å; N930-D953 HydrophobicContact CB-CB 4.4Å
931	L	97.7	Very high	94.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.			trans	-115.3	12.1	178.9	-71.9	159	0	0	0	111.9	V908 L916 L929 N934 F936 D953 L954 N957	V908-L931 HydrophobicContact CG2-CD2 3.4Å; V908-L931 VanDerWaalsContact CG2-CD2 3.4Å; V908-L931 HydrophobicContact CG2-CG 4.12Å; L916-L931 HydrophobicContact CD1-CD1 3.79Å; L916-L931 HydrophobicContact CD2-CD1 4.08Å; L916-L931 HydrophobicContact CD2-CD2 3.77Å; L916-L931 HydrophobicContact CG-CD1 4.36Å; L929-L931 HydrophobicContact CD1-CD1 4.13Å; L929-L931 HydrophobicContact CD1-CG 4.11Å; L929-L931 HydrophobicContact CD2-CD1 3.78Å; L929-L931 HydrophobicContact CG-CD1 3.77Å; L929-L931 HydrophobicContact CG-CG 4.1Å; L931-N934 WeakPolarHBondContact O-CB 3.3Å; L931-N934 PolarHBondContact O-ND2 3.18Å; L931-F936 HydrophobicContact CB-CE2 4.36Å; L931-F936 HydrophobicContact CD2-CE2 3.89Å; L931-F936 HydrophobicContact CD2-CZ 4.08Å; L931-D953 CarbonylContact C-O 3.51Å; L931-D953 WeakPolarHBondContact CA-O 3.45Å; L931-D953 WeakPolarHBondContact CB-O 3.12Å; L931-D953 PolarHBondContact N-O 3.31Å; L931-L954 HydrophobicContact CB-CD2 3.79Å; L931-L954 HydrophobicContact CD1-CD2 3.87Å; L931-L954 HydrophobicContact CG-CD2 4.49Å; L931-N957 PolarHBondContact O-ND2 3.16Å; L931-N957 VanDerWaalsContact O-ND2 3.11Å
932	S	94.7	Very high	94.9	Very high	14 Å²	14	45.6 Å²	45.6	10%	0.098	23%	0.23	C	C	.	.			trans	-58.8	149.7	-177.8	58.9	0	0	0	0	113.2	S909 N910 N930 N934 D953 S955	S909-S932 CarbonylContact C-O 3.59Å; S909-S932 WeakPolarHBondContact CA-O 3.38Å; S909-S932 VanDerWaalsContact CB-O 3.3Å; S909-S932 WeakPolarHBondContact CB-O 3.32Å; S909-S932 VanDerWaalsContact CB-OG 3.25Å; S909-S932 WeakPolarHBondContact CB-OG 3.09Å; N910-S932 PolarHBondContact N-O 2.93Å; N930-S932 WeakPolarHBondContact OD1-CB 3.49Å; N930-S932 PolarHBondContact OD1-N 3.14Å; N930-S932 PolarHBondContact OD1-OG 3.19Å; S932-N934 PolarHBondContact O-ND2 2.66Å; S932-D953 PolarHBondContact N-O 3.2Å; S932-S955 CarbonylContact C-O 3.54Å; S932-S955 WeakPolarHBondContact CA-O 3.36Å; S932-S955 WeakPolarHBondContact CB-O 3.46Å; S932-S955 WeakPolarHBondContact CB-OG 3.33Å
933	A	91.9	Very high	95.1	Very high	24 Å²	24	40.9 Å²	40.9	20%	0.198	21%	0.208	C	C	.	.	S	Bend	trans	53.6	61.1	-178.6	0	0	0	0	0	112.6	N910 N911 S955 C956	N910-A933 WeakPolarHBondContact CA-O 3.4Å; N910-A933 HydrophobicContact CB-CB 4.46Å; N910-A933 PolarHBondContact N-O 3.01Å; N910-A933 VanDerWaalsContact N-O 3.12Å; N911-A933 PolarHBondContact N-O 2.89Å; N911-A933 VanDerWaalsContact N-O 3.14Å; A933-S955 PolarHBondContact N-O 3.2Å; A933-C956 WeakPolarHBondContact CA-O 3.5Å; A933-C956 HydrophobicContact CB-CB 4.05Å
934	N	94.6	Very high	95.1	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.053	21%	0.213	C	C	.	.	S	Bend	trans	-126.2	-155.3	174.1	-88.8	-78	0	0	0	109.8	V908 N911 M912 I913 L931 S932 F936 N957	V908-N934 PolarHBondContact O-ND2 3.06Å; V908-N934 VanDerWaalsContact O-ND2 3.1Å; N911-N934 WeakPolarHBondContact CA-OD1 3.38Å; N911-N934 WeakPolarHBondContact CB-OD1 3.16Å; N911-N934 PolarHBondContact O-OD1 3.43Å; M912-N934 PolarHBondContact N-OD1 3.14Å; I913-N934 WeakPolarHBondContact CB-OD1 3.32Å; I913-N934 PolarHBondContact N-OD1 2.94Å; L931-N934 WeakPolarHBondContact O-CB 3.3Å; L931-N934 PolarHBondContact O-ND2 3.18Å; S932-N934 PolarHBondContact O-ND2 2.66Å; N934-F936 HydrophobicContact CB-CD2 3.9Å; N934-F936 HydrophobicContact CB-CE2 4.04Å; N934-N957 VanDerWaalsContact CA-OD1 3.24Å; N934-N957 WeakPolarHBondContact CA-OD1 3.25Å; N934-N957 VanDerWaalsContact CB-OD1 3.23Å; N934-N957 WeakPolarHBondContact CB-OD1 3.34Å; N934-N957 PolarHBondContact N-OD1 3.5Å; N934-N957 PolarHBondContact O-OD1 3.23Å
935	C	93.9	Very high	95	Very high	49 Å²	49	40 Å²	40	33%	0.331	21%	0.206	S	C	.	.			trans	-123.3	27.7	-174.8	-68.7	0	0	0	0	112.8	I913 T937 N957	I913-C935 CarbonylContact O-C 3.42Å; I913-C935 WeakPolarHBondContact O-CA 3.34Å; I913-C935 PolarHBondContact O-N 3.13Å; C935-T937 PolarHBondContact O-N 3.42Å; C935-N957 PolarHBondContact N-OD1 2.76Å
936	F	96.3	Very high	94.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.183	C	C	.	.			trans	-69.7	122.1	175.7	-70.5	-88.9	0	0	0	110.8	I913 S914 L916 L931 N934 P940 L954 N957 K958 I959	I913-F936 HydrophobicContact CB-CE2 4.21Å; I913-F936 HydrophobicContact CB-CZ 4.46Å; I913-F936 HydrophobicContact CG2-CE2 3.91Å; I913-F936 HydrophobicContact CG2-CZ 3.66Å; S914-F936 WeakPolarHBondContact O-CD1 3.23Å; L916-F936 HydrophobicContact CD2-CZ 3.94Å; L916-F936 HydrophobicContact CG-CE1 3.98Å; L916-F936 HydrophobicContact CG-CZ 3.82Å; L931-F936 HydrophobicContact CB-CE2 4.36Å; L931-F936 HydrophobicContact CD2-CE2 3.89Å; L931-F936 HydrophobicContact CD2-CZ 4.08Å; N934-F936 HydrophobicContact CB-CD2 3.9Å; N934-F936 HydrophobicContact CB-CE2 4.04Å; F936-P940 HydrophobicContact CD1-CB 4.25Å; F936-P940 HydrophobicContact CD1-CG 4.19Å; F936-P940 HydrophobicContact CE1-CB 4Å; F936-P940 HydrophobicContact CE1-CG 4.13Å; F936-L954 HydrophobicContact CD2-CD2 4.49Å; F936-N957 HydrophobicContact CB-CB 4.26Å; F936-N957 WeakPolarHBondContact CD2-OD1 3.44Å; F936-N957 PolarHBondContact N-OD1 2.72Å; F936-K958 CarbonylContact O-C 3.42Å; F936-K958 VanDerWaalsContact O-C 3.24Å; F936-K958 VanDerWaalsContact O-CA 3.31Å; F936-K958 WeakPolarHBondContact O-CA 3.45Å; F936-K958 WeakPolarHBondContact O-CB 3.43Å; F936-K958 PolarHBondContact O-N 2.6Å; F936-I959 HydrophobicContact CB-CD1 4.26Å; F936-I959 HydrophobicContact CB-CG1 4.02Å; F936-I959 PolarHBondContact O-N 2.95Å
937	T	94.9	Very high	94.5	Very high	76 Å²	76	37.3 Å²	37.3	47%	0.466	20%	0.204	S	C	.	.	S	Bend	trans	-98	-21.3	173.1	50.4	0	0	0	0	113	C935 K958 I959 T960	C935-T937 PolarHBondContact O-N 3.42Å; T937-K958 WeakPolarHBondContact CA-O 3.47Å; T937-K958 HydrophobicContact CG2-CB 4.24Å; T937-I959 WeakPolarHBondContact O-CA 3.39Å; T937-T960 PolarHBondContact O-N 2.8Å
938	E	96.3	Very high	94.1	Very high	145 Å²	145	38.8 Å²	38.8	68%	0.678	21%	0.212	S	C	*	.	S	Bend	trans	-125	156.5	179	-66.7	176.9	-171.1	0	0	109.5	P940	E938-P940 WeakPolarHBondContact O-CD 3.47Å
939	F	96.3	Very high	94	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.039	20%	0.198	C	C	.	.			trans	-69.6	124.7	175.3	-169.4	-80.2	0	0	0	109.7	T941 L943 F944 L954 I959 P963 I966 L969 L974 L976	F939-T941 PolarHBondContact O-N 3.37Å; F939-L943 HydrophobicContact CE1-CB 4.5Å; F939-L943 HydrophobicContact CE1-CD1 4.38Å; F939-L943 HydrophobicContact CZ-CD1 4.39Å; F939-F944 AromaticContact CD1-CE1 3.92Å; F939-F944 HydrophobicContact CD1-CE1 3.92Å; F939-F944 HydrophobicContact CD1-CZ 4.45Å; F939-F944 HydrophobicContact CE1-CD1 4.29Å; F939-F944 AromaticContact CE1-CE1 3.68Å; F939-F944 HydrophobicContact CE1-CE1 3.68Å; F939-L954 HydrophobicContact CD2-CD1 4.32Å; F939-L954 HydrophobicContact CE2-CD1 3.86Å; F939-L954 HydrophobicContact CZ-CD1 4.25Å; F939-I959 HydrophobicContact CB-CG2 4.18Å; F939-P963 VanDerWaalsContact CB-CD 3.49Å; F939-P963 HydrophobicContact CB-CG 4.02Å; F939-I966 HydrophobicContact CE1-CD1 3.74Å; F939-I966 HydrophobicContact CE2-CD1 4.17Å; F939-I966 HydrophobicContact CZ-CD1 3.53Å; F939-L969 HydrophobicContact CZ-CD2 4.21Å; F939-L974 HydrophobicContact CE2-CD1 4.31Å; F939-L974 HydrophobicContact CE2-CD2 4.22Å; F939-L974 HydrophobicContact CZ-CD2 4.5Å; F939-L976 HydrophobicContact CD2-CD2 4.45Å; F939-L976 HydrophobicContact CE2-CD1 4.31Å; F939-L976 HydrophobicContact CE2-CD2 4.45Å
940	P	94.7	Very high	93.9	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	21%	0.21	C	C	.	.			trans	-73.8	99.6	-175.5	27.5	-32.6	0	0	0	111.8	L916 F936 E938 A942 L943 L954	L916-P940 HydrophobicContact CD1-CB 3.93Å; L916-P940 HydrophobicContact CD1-CG 4.08Å; L916-P940 HydrophobicContact CG-CB 4.2Å; F936-P940 HydrophobicContact CD1-CB 4.25Å; F936-P940 HydrophobicContact CD1-CG 4.19Å; F936-P940 HydrophobicContact CE1-CB 4Å; F936-P940 HydrophobicContact CE1-CG 4.13Å; E938-P940 WeakPolarHBondContact O-CD 3.47Å; P940-A942 PolarHBondContact O-N 2.87Å; P940-A942 VanDerWaalsContact O-N 3.15Å; P940-L943 HydrophobicContact CG-CD1 3.68Å; P940-L943 HydrophobicContact CG-CG 4.1Å; P940-L943 WeakPolarHBondContact O-CB 3.43Å; P940-L943 WeakPolarHBondContact O-CG 3.16Å; P940-L943 PolarHBondContact O-N 2.86Å; P940-L954 HydrophobicContact CG-CD1 4.34Å; P940-L954 HydrophobicContact CG-CD2 4.18Å
941	T	93.5	Very high	93.9	Very high	77 Å²	77	39.1 Å²	39.1	47%	0.472	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.6	-24.6	-177.3	52.6	0	0	0	0	114.4	F939 L943 F944	F939-T941 PolarHBondContact O-N 3.37Å; T941-L943 PolarHBondContact O-N 2.99Å; T941-F944 HydrophobicContact CG2-CD2 4.48Å; T941-F944 HydrophobicContact CG2-CE2 3.87Å; T941-F944 HydrophobicContact CG2-CZ 4.12Å; T941-F944 WeakPolarHBondContact O-CB 3.48Å; T941-F944 WeakPolarHBondContact O-CG 3.43Å; T941-F944 PolarHBondContact O-N 3.09Å
942	A	92.8	Very high	93.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-55.1	-22.3	172.2	0	0	0	0	0	113.5	I920 P940 F944	I920-A942 HydrophobicContact CG2-CB 3.92Å; P940-A942 PolarHBondContact O-N 2.87Å; P940-A942 VanDerWaalsContact O-N 3.15Å; A942-F944 VanDerWaalsContact C-N 3.27Å; A942-F944 PolarHBondContact O-N 3.38Å
943	L	94.8	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68	-22.3	174.2	-62	-178.1	0	0	0	113.5	L916 I920 L929 F939 P940 T941 Q945 M946 I952 L954 L969	L916-L943 HydrophobicContact CD1-CD1 4.48Å; L916-L943 HydrophobicContact CD1-CD2 3.63Å; L916-L943 HydrophobicContact CD1-CG 4Å; I920-L943 HydrophobicContact CG2-CD2 4.44Å; L929-L943 HydrophobicContact CD2-CD2 3.52Å; F939-L943 HydrophobicContact CE1-CB 4.5Å; F939-L943 HydrophobicContact CE1-CD1 4.38Å; F939-L943 HydrophobicContact CZ-CD1 4.39Å; P940-L943 HydrophobicContact CG-CD1 3.68Å; P940-L943 HydrophobicContact CG-CG 4.1Å; P940-L943 WeakPolarHBondContact O-CB 3.43Å; P940-L943 WeakPolarHBondContact O-CG 3.16Å; P940-L943 PolarHBondContact O-N 2.86Å; T941-L943 PolarHBondContact O-N 2.99Å; L943-Q945 PolarHBondContact O-N 3.18Å; L943-Q945 VanDerWaalsContact O-N 3.13Å; L943-M946 HydrophobicContact CD2-SD 3.67Å; L943-M946 WeakPolarHBondContact O-CB 3.45Å; L943-M946 WeakPolarHBondContact O-CG 3.44Å; L943-M946 PolarHBondContact O-N 3.36Å; L943-I952 HydrophobicContact CD1-CD1 4.28Å; L943-I952 HydrophobicContact CD1-CG2 4.12Å; L943-L954 HydrophobicContact CD1-CD1 4.1Å; L943-L969 HydrophobicContact CB-CD1 4.16Å; L943-L969 WeakPolarHBondContact O-CD1 3.46Å
944	F	92.2	Very high	94.4	Very high	34 Å²	34	38.9 Å²	38.9	15%	0.149	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.5	-178.7	-67.5	-6.2	0	0	0	113.1	F939 T941 A942 M946 P963 I966 T968	F939-F944 AromaticContact CD1-CE1 3.92Å; F939-F944 HydrophobicContact CD1-CE1 3.92Å; F939-F944 HydrophobicContact CD1-CZ 4.45Å; F939-F944 HydrophobicContact CE1-CD1 4.29Å; F939-F944 AromaticContact CE1-CE1 3.68Å; F939-F944 HydrophobicContact CE1-CE1 3.68Å; T941-F944 HydrophobicContact CG2-CD2 4.48Å; T941-F944 HydrophobicContact CG2-CE2 3.87Å; T941-F944 HydrophobicContact CG2-CZ 4.12Å; T941-F944 WeakPolarHBondContact O-CB 3.48Å; T941-F944 WeakPolarHBondContact O-CG 3.43Å; T941-F944 PolarHBondContact O-N 3.09Å; A942-F944 VanDerWaalsContact C-N 3.27Å; A942-F944 PolarHBondContact O-N 3.38Å; F944-M946 PolarHBondContact O-N 3.31Å; F944-P963 HydrophobicContact CZ-CG 4.22Å; F944-I966 HydrophobicContact CD1-CD1 4.4Å; F944-I966 HydrophobicContact CE1-CB 4.18Å; F944-I966 HydrophobicContact CE1-CD1 3.76Å; F944-I966 HydrophobicContact CZ-CB 4.45Å; F944-T968 WeakPolarHBondContact CB-OG1 3.5Å; F944-T968 PolarHBondContact O-OG1 3.14Å
945	Q	89.3	Confident	94.3	Very high	85 Å²	85	39 Å²	39	40%	0.397	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-75.7	-7	176.3	-54.2	-176.9	22.3	0	0	113.9	L943 T947	L943-Q945 PolarHBondContact O-N 3.18Å; L943-Q945 VanDerWaalsContact O-N 3.13Å; Q945-T947 PolarHBondContact O-N 3.05Å
946	M	91.9	Very high	94.3	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.03	21%	0.213	C	C	.	.			trans	-87.5	79.2	-175.3	-56.1	-162.1	83.2	0	0	112.1	L923 L926 L929 L943 F944 Q948 I949 G970	L923-M946 HydrophobicContact CB-CE 4.33Å; L926-M946 HydrophobicContact CB-CE 3.89Å; L926-M946 HydrophobicContact CD2-CE 3.82Å; L926-M946 HydrophobicContact CG-CE 4.46Å; L929-M946 HydrophobicContact CD2-SD 4.4Å; L943-M946 HydrophobicContact CD2-SD 3.67Å; L943-M946 WeakPolarHBondContact O-CB 3.45Å; L943-M946 WeakPolarHBondContact O-CG 3.44Å; L943-M946 PolarHBondContact O-N 3.36Å; F944-M946 PolarHBondContact O-N 3.31Å; M946-Q948 VanDerWaalsContact C-N 3.3Å; M946-Q948 PolarHBondContact O-N 3.28Å; M946-I949 HydrophobicContact CB-CB 4.34Å; M946-I949 HydrophobicContact CB-CG2 3.93Å; M946-I949 HydrophobicContact CE-CD1 3.91Å; M946-I949 HydrophobicContact SD-CD1 3.99Å; M946-G970 WeakPolarHBondContact O-CA 3.41Å; M946-G970 PolarHBondContact O-N 2.53Å; M946-G970 VanDerWaalsContact O-N 3.13Å
947	T	87.4	Confident	94.3	Very high	75 Å²	75	39.6 Å²	39.6	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.9	-175	59.4	0	0	0	0	115.6	Q945	Q945-T947 PolarHBondContact O-N 3.05Å
948	Q	89	Confident	94.3	Very high	101 Å²	101	41 Å²	41	47%	0.472	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	11.5	-170.6	-70.4	-61.8	-51.8	0	0	115.2	K927 M946 R993	K927-Q948 WeakPolarHBondContact CD-O 3.48Å; K927-Q948 PolarHBondContact NZ-O 3.04Å; M946-Q948 VanDerWaalsContact C-N 3.3Å; M946-Q948 PolarHBondContact O-N 3.28Å; Q948-R993 PolarHBondContact O-NH1 3.23Å
949	I	95.5	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.182	C	C	.	.			trans	-73.4	148.1	176.6	-169	158.8	0	0	0	111.7	L926 L929 M946 I952 A971 R993	L926-I949 HydrophobicContact CD2-CD1 4.29Å; L926-I949 WeakPolarHBondContact O-CA 3.49Å; L929-I949 HydrophobicContact CB-CD1 3.7Å; L929-I949 HydrophobicContact CD2-CD1 4.47Å; M946-I949 HydrophobicContact CB-CB 4.34Å; M946-I949 HydrophobicContact CB-CG2 3.93Å; M946-I949 HydrophobicContact CE-CD1 3.91Å; M946-I949 HydrophobicContact SD-CD1 3.99Å; I949-I952 HydrophobicContact CD1-CD1 4.12Å; I949-I952 HydrophobicContact CD1-CG1 3.57Å; I949-I952 HydrophobicContact CG1-CG1 4.08Å; I949-I952 HydrophobicContact CG2-CD1 3.87Å; I949-I952 HydrophobicContact CG2-CG1 4.21Å; I949-A971 HydrophobicContact CG2-CB 4.02Å; I949-A971 WeakPolarHBondContact O-CA 3.29Å; I949-R993 PolarHBondContact O-NH1 2.93Å
950	D	96.5	Very high	94.3	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	20%	0.197	S	C	.	.			trans	-102.8	-47.9	-177.9	-60.4	-29.2	0	0	0	111	K927 V972 E973 R993	K927-D950 HydrophobicContact CB-CB 4.49Å; K927-D950 WeakPolarHBondContact CD-OD2 3.35Å; K927-D950 WeakPolarHBondContact CE-OD2 3.46Å; K927-D950 IonicContact NZ-OD1 2.67Å; K927-D950 PolarHBondContact NZ-OD1 2.93Å; K927-D950 IonicContact NZ-OD2 2.73Å; K927-D950 PolarHBondContact NZ-OD2 3.28Å; K927-D950 CarbonylContact O-C 3.53Å; K927-D950 WeakPolarHBondContact O-CA 3.4Å; K927-D950 WeakPolarHBondContact O-CB 3.4Å; K927-D950 PolarHBondContact O-N 3.14Å; D950-V972 CarbonylContact O-C 3.46Å; D950-V972 WeakPolarHBondContact O-CA 3.45Å; D950-V972 VanDerWaalsContact O-CB 3.29Å; D950-V972 WeakPolarHBondContact O-CB 3.14Å; D950-V972 PolarHBondContact O-N 2.85Å; D950-E973 PolarHBondContact O-N 2.57Å; D950-R993 IonicContact OD1-CZ 3.48Å; D950-R993 IonicContact OD1-NH1 3.57Å; D950-R993 IonicContact OD1-NH2 3.25Å; D950-R993 PolarHBondContact OD1-NH2 3.04Å
951	V	98	Very high	94.3	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.285	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129	179.9	-173.6	0	0	0	0	111.4	K927 L928 L929 E973	K927-V951 PolarHBondContact O-N 2.89Å; L928-V951 WeakPolarHBondContact CA-O 3.17Å; L928-V951 HydrophobicContact CG-CB 4.48Å; L929-V951 PolarHBondContact N-O 2.96Å; V951-E973 WeakPolarHBondContact CA-O 3.44Å; V951-E973 HydrophobicContact CG1-CB 4.33Å; V951-E973 HydrophobicContact CG1-CG 4.35Å; V951-E973 HydrophobicContact CG2-CB 4.28Å
952	I	98	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125	167.9	-64.3	169.1	0	0	0	108.6	L929 L943 I949 L954 L969 A971 E973 L974 N975	L929-I952 WeakPolarHBondContact O-CA 3.17Å; L943-I952 HydrophobicContact CD1-CD1 4.28Å; L943-I952 HydrophobicContact CD1-CG2 4.12Å; I949-I952 HydrophobicContact CD1-CD1 4.12Å; I949-I952 HydrophobicContact CD1-CG1 3.57Å; I949-I952 HydrophobicContact CG1-CG1 4.08Å; I949-I952 HydrophobicContact CG2-CD1 3.87Å; I949-I952 HydrophobicContact CG2-CG1 4.21Å; I952-L954 HydrophobicContact CG2-CD1 3.97Å; I952-L954 HydrophobicContact CG2-CG 3.99Å; I952-L969 HydrophobicContact CD1-CD1 3.79Å; I952-L969 HydrophobicContact CD1-CD2 4.15Å; I952-L969 HydrophobicContact CD1-CG 4.44Å; I952-A971 HydrophobicContact CD1-CB 3.92Å; I952-A971 HydrophobicContact CG1-CB 4.46Å; I952-E973 PolarHBondContact N-O 3.18Å; I952-L974 HydrophobicContact CB-CD1 3.98Å; I952-L974 HydrophobicContact CG2-CD1 3.82Å; I952-N975 PolarHBondContact O-N 3.19Å
953	D	97.8	Very high	94.5	Very high	33 Å²	33	36 Å²	36	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.6	173.3	-163.8	-24.2	0	0	0	110.9	L929 N930 L931 S932 S955 N975	L929-D953 PolarHBondContact O-N 3.09Å; N930-D953 HydrophobicContact CB-CB 4.4Å; L931-D953 CarbonylContact C-O 3.51Å; L931-D953 WeakPolarHBondContact CA-O 3.45Å; L931-D953 WeakPolarHBondContact CB-O 3.12Å; L931-D953 PolarHBondContact N-O 3.31Å; S932-D953 PolarHBondContact N-O 3.2Å; D953-S955 VanDerWaalsContact OD1-CB 3.24Å; D953-S955 WeakPolarHBondContact OD1-CB 3.47Å; D953-S955 PolarHBondContact OD1-N 2.76Å; D953-S955 PolarHBondContact OD1-OG 3.13Å; D953-N975 HydrophobicContact CB-CB 4.41Å; D953-N975 VanDerWaalsContact CG-ND2 3.31Å; D953-N975 PolarHBondContact OD1-ND2 3.26Å; D953-N975 VanDerWaalsContact OD1-ND2 3.13Å; D953-N975 PolarHBondContact OD2-ND2 3.11Å; D953-N975 VanDerWaalsContact OD2-ND2 3.11Å
954	L	97.9	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.			trans	-115.4	16	175.7	-75.9	164.5	0	0	0	111.2	L931 F936 F939 P940 L943 I952 N957 I959 L974 N975 L976 N979	L931-L954 HydrophobicContact CB-CD2 3.79Å; L931-L954 HydrophobicContact CD1-CD2 3.87Å; L931-L954 HydrophobicContact CG-CD2 4.49Å; F936-L954 HydrophobicContact CD2-CD2 4.49Å; F939-L954 HydrophobicContact CD2-CD1 4.32Å; F939-L954 HydrophobicContact CE2-CD1 3.86Å; F939-L954 HydrophobicContact CZ-CD1 4.25Å; P940-L954 HydrophobicContact CG-CD1 4.34Å; P940-L954 HydrophobicContact CG-CD2 4.18Å; L943-L954 HydrophobicContact CD1-CD1 4.1Å; I952-L954 HydrophobicContact CG2-CD1 3.97Å; I952-L954 HydrophobicContact CG2-CG 3.99Å; L954-N957 WeakPolarHBondContact O-CB 3.43Å; L954-N957 PolarHBondContact O-ND2 2.89Å; L954-I959 HydrophobicContact CB-CD1 4.08Å; L954-I959 HydrophobicContact CD1-CD1 4.19Å; L954-I959 HydrophobicContact CD2-CD1 4.24Å; L954-I959 HydrophobicContact CG-CD1 4.41Å; L954-L974 HydrophobicContact CD1-CD1 4.37Å; L954-N975 CarbonylContact C-O 3.58Å; L954-N975 WeakPolarHBondContact CA-O 3.34Å; L954-N975 PolarHBondContact N-O 2.94Å; L954-L976 HydrophobicContact CB-CD2 3.68Å; L954-L976 HydrophobicContact CD1-CD2 4.08Å; L954-N979 PolarHBondContact O-ND2 2.89Å
955	S	93.9	Very high	94.1	Very high	13 Å²	13	41.2 Å²	41.2	9%	0.091	23%	0.23	C	C	.	.			trans	-63.2	160.6	-177.7	61	0	0	0	0	113.7	S932 A933 D953 N957 N975 N977	S932-S955 CarbonylContact C-O 3.54Å; S932-S955 WeakPolarHBondContact CA-O 3.36Å; S932-S955 WeakPolarHBondContact CB-O 3.46Å; S932-S955 WeakPolarHBondContact CB-OG 3.33Å; A933-S955 PolarHBondContact N-O 3.2Å; D953-S955 VanDerWaalsContact OD1-CB 3.24Å; D953-S955 WeakPolarHBondContact OD1-CB 3.47Å; D953-S955 PolarHBondContact OD1-N 2.76Å; D953-S955 PolarHBondContact OD1-OG 3.13Å; S955-N957 VanDerWaalsContact C-N 3.27Å; S955-N957 PolarHBondContact O-N 3.37Å; S955-N957 PolarHBondContact O-ND2 3.36Å; S955-N957 VanDerWaalsContact O-ND2 3.14Å; S955-N975 PolarHBondContact N-O 3.38Å; S955-N975 PolarHBondContact OG-ND2 2.98Å; S955-N977 CarbonylContact C-O 3.11Å; S955-N977 WeakPolarHBondContact CA-O 3.36Å; S955-N977 WeakPolarHBondContact CB-O 3.44Å
956	C	93.4	Very high	94.3	Very high	53 Å²	53	37.2 Å²	37.2	36%	0.358	21%	0.211	S	C	.	.	S	Bend	trans	57.4	35.4	-179.6	-43.7	0	0	0	0	113.5	A933 N977 Q978	A933-C956 WeakPolarHBondContact CA-O 3.5Å; A933-C956 HydrophobicContact CB-CB 4.05Å; C956-N977 PolarHBondContact N-O 2.91Å; C956-Q978 CarbonylContact C-O 3.57Å; C956-Q978 WeakPolarHBondContact CA-O 3.48Å; C956-Q978 PolarHBondContact N-O 3.31Å; C956-Q978 VanDerWaalsContact N-O 3.16Å; C956-Q978 PolarHBondContact SG-OE1 3.36Å
957	N	95.3	Very high	94.3	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	23%	0.226	C	C	.	.	S	Bend	trans	-108.8	-155.8	174.6	-82.2	-81.8	0	0	0	109.7	L931 N934 C935 F936 L954 S955 I959 Q978 N979	L931-N957 PolarHBondContact O-ND2 3.16Å; L931-N957 VanDerWaalsContact O-ND2 3.11Å; N934-N957 VanDerWaalsContact CA-OD1 3.24Å; N934-N957 WeakPolarHBondContact CA-OD1 3.25Å; N934-N957 VanDerWaalsContact CB-OD1 3.23Å; N934-N957 WeakPolarHBondContact CB-OD1 3.34Å; N934-N957 PolarHBondContact N-OD1 3.5Å; N934-N957 PolarHBondContact O-OD1 3.23Å; C935-N957 PolarHBondContact N-OD1 2.76Å; F936-N957 HydrophobicContact CB-CB 4.26Å; F936-N957 WeakPolarHBondContact CD2-OD1 3.44Å; F936-N957 PolarHBondContact N-OD1 2.72Å; L954-N957 WeakPolarHBondContact O-CB 3.43Å; L954-N957 PolarHBondContact O-ND2 2.89Å; S955-N957 VanDerWaalsContact C-N 3.27Å; S955-N957 PolarHBondContact O-N 3.37Å; S955-N957 PolarHBondContact O-ND2 3.36Å; S955-N957 VanDerWaalsContact O-ND2 3.14Å; N957-I959 HydrophobicContact CB-CD1 4.49Å; N957-I959 HydrophobicContact CB-CG1 4.29Å; N957-Q978 PolarHBondContact N-O 3.4Å; N957-N979 WeakPolarHBondContact CA-OD1 3.28Å; N957-N979 WeakPolarHBondContact CB-OD1 3.46Å
958	K	94.9	Very high	94.6	Very high	105 Å²	105	40.3 Å²	40.3	46%	0.457	23%	0.225	S	C	.	.			trans	-130.5	27.3	-179.4	-57.5	178.5	-176.8	175.8	0	111.6	F936 T937 T960 N979	F936-K958 CarbonylContact O-C 3.42Å; F936-K958 VanDerWaalsContact O-C 3.24Å; F936-K958 VanDerWaalsContact O-CA 3.31Å; F936-K958 WeakPolarHBondContact O-CA 3.45Å; F936-K958 WeakPolarHBondContact O-CB 3.43Å; F936-K958 PolarHBondContact O-N 2.6Å; T937-K958 WeakPolarHBondContact CA-O 3.47Å; T937-K958 HydrophobicContact CG2-CB 4.24Å; K958-T960 PolarHBondContact O-N 2.86Å; K958-N979 PolarHBondContact N-OD1 3.39Å
959	I	97	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.			trans	-67.8	127.8	-175.3	-59.4	172.2	0	0	0	109.1	F936 T937 F939 L954 N957 C961 L976 N979 Q980 L981	F936-I959 HydrophobicContact CB-CD1 4.26Å; F936-I959 HydrophobicContact CB-CG1 4.02Å; F936-I959 PolarHBondContact O-N 2.95Å; T937-I959 WeakPolarHBondContact O-CA 3.39Å; F939-I959 HydrophobicContact CB-CG2 4.18Å; L954-I959 HydrophobicContact CB-CD1 4.08Å; L954-I959 HydrophobicContact CD1-CD1 4.19Å; L954-I959 HydrophobicContact CD2-CD1 4.24Å; L954-I959 HydrophobicContact CG-CD1 4.41Å; N957-I959 HydrophobicContact CB-CD1 4.49Å; N957-I959 HydrophobicContact CB-CG1 4.29Å; I959-C961 WeakPolarHBondContact CG2-O 3.14Å; I959-L976 HydrophobicContact CD1-CD2 3.8Å; I959-N979 HydrophobicContact CB-CB 4.44Å; I959-N979 WeakPolarHBondContact CB-OD1 3.3Å; I959-N979 WeakPolarHBondContact CG1-OD1 3.24Å; I959-N979 PolarHBondContact N-OD1 2.99Å; I959-Q980 CarbonylContact O-C 3.06Å; I959-Q980 WeakPolarHBondContact O-CA 3.5Å; I959-Q980 PolarHBondContact O-N 2.88Å; I959-L981 HydrophobicContact CB-CD2 4.43Å; I959-L981 HydrophobicContact CG2-CD2 3.86Å; I959-L981 PolarHBondContact O-N 2.9Å; I959-L981 VanDerWaalsContact O-N 3.13Å
960	T	95.8	Very high	94.6	Very high	58 Å²	58	36.1 Å²	36.1	36%	0.356	21%	0.208	S	C	.	.			trans	-94.2	-22.2	-173.6	56.3	0	0	0	0	115	T937 K958 Q980 L981 S982	T937-T960 PolarHBondContact O-N 2.8Å; K958-T960 PolarHBondContact O-N 2.86Å; T960-Q980 WeakPolarHBondContact CA-O 3.46Å; T960-Q980 HydrophobicContact CG2-CB 4.48Å; T960-L981 CarbonylContact O-C 3.27Å; T960-L981 WeakPolarHBondContact O-CA 3.45Å; T960-S982 PolarHBondContact O-N 2.79Å; T960-S982 PolarHBondContact O-OG 3.12Å
961	C	95.1	Very high	94.6	Very high	43 Å²	43	33.9 Å²	33.9	29%	0.291	20%	0.196	S	C	.	.			trans	-156.4	158.8	177.3	59.7	0	0	0	0	112.2	I959 S983	I959-C961 WeakPolarHBondContact CG2-O 3.14Å; C961-S983 WeakPolarHBondContact CA-O 3.31Å; C961-S983 WeakPolarHBondContact CB-OG 3.11Å
962	I	95.2	Very high	94.5	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-95.1	112.2	163.4	-52.4	-177.8	0	0	0	108	I966 L976 L981 S983 I984 S985 I988	I962-I966 HydrophobicContact CG2-CB 4.15Å; I962-I966 HydrophobicContact CG2-CD1 4.14Å; I962-I966 HydrophobicContact CG2-CG1 3.84Å; I962-I966 HydrophobicContact CG2-CG2 4.2Å; I962-L976 HydrophobicContact CD1-CD1 3.49Å; I962-L976 VanDerWaalsContact CD1-CD1 3.49Å; I962-L976 HydrophobicContact CG1-CD1 3.9Å; I962-L981 HydrophobicContact CD1-CD1 4.42Å; I962-L981 HydrophobicContact CG1-CD1 4.32Å; I962-L981 HydrophobicContact CG1-CD2 4.04Å; I962-S983 PolarHBondContact N-O 3.38Å; I962-S983 VanDerWaalsContact N-O 3.16Å; I962-I984 HydrophobicContact CB-CG2 4.49Å; I962-I984 HydrophobicContact CD1-CD1 4.43Å; I962-I984 HydrophobicContact CD1-CG1 4.01Å; I962-I984 HydrophobicContact CD1-CG2 4.24Å; I962-I984 HydrophobicContact CG1-CG1 4.32Å; I962-S985 VanDerWaalsContact O-CB 3.29Å; I962-S985 WeakPolarHBondContact O-CB 3.15Å; I962-S985 PolarHBondContact O-N 2.91Å; I962-I988 HydrophobicContact CD1-CD1 3.8Å; I962-I988 HydrophobicContact CG2-CD1 4.36Å
963	P	94.9	Very high	94.5	Very high	42 Å²	42	35.7 Å²	35.7	27%	0.273	20%	0.204	S	C	.	.			trans	-82.4	166.8	-174.5	33.6	-35.7	0	0	0	113.3	F939 F944 I966	F939-P963 VanDerWaalsContact CB-CD 3.49Å; F939-P963 HydrophobicContact CB-CG 4.02Å; F944-P963 HydrophobicContact CZ-CG 4.22Å; P963-I966 WeakPolarHBondContact O-CB 3.24Å; P963-I966 WeakPolarHBondContact O-CG2 3.33Å
964	D	89.7	Confident	94.5	Very high	126 Å²	126	34.1 Å²	34.1	67%	0.674	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	155.2	169.7	-57.9	-32.1	0	0	0	111.7	I966 S985	D964-I966 VanDerWaalsContact C-N 3.33Å; D964-S985 VanDerWaalsContact OD1-CB 3.27Å; D964-S985 WeakPolarHBondContact OD1-CB 3.2Å; D964-S985 PolarHBondContact OD1-OG 3.03Å
965	G	89.6	Confident	94.5	Very high	17 Å²	17	35 Å²	35	18%	0.175	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-14.8	-171.1	0	0	0	0	0	113.5	E967 T968	G965-E967 WeakPolarHBondContact CA-OE1 3.38Å; G965-E967 WeakPolarHBondContact CA-OE2 3.04Å; G965-E967 PolarHBondContact N-OE2 3.11Å; G965-E967 PolarHBondContact O-N 3.13Å; G965-E967 VanDerWaalsContact O-N 3.14Å; G965-T968 PolarHBondContact O-N 2.93Å; G965-T968 PolarHBondContact O-OG1 2.96Å
966	I	94.2	Very high	94.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.2	-24.1	177.8	-168.8	71.3	0	0	0	112.7	F939 F944 I962 P963 D964 T968 L969 S987 I988 C991	F939-I966 HydrophobicContact CE1-CD1 3.74Å; F939-I966 HydrophobicContact CE2-CD1 4.17Å; F939-I966 HydrophobicContact CZ-CD1 3.53Å; F944-I966 HydrophobicContact CD1-CD1 4.4Å; F944-I966 HydrophobicContact CE1-CB 4.18Å; F944-I966 HydrophobicContact CE1-CD1 3.76Å; F944-I966 HydrophobicContact CZ-CB 4.45Å; I962-I966 HydrophobicContact CG2-CB 4.15Å; I962-I966 HydrophobicContact CG2-CD1 4.14Å; I962-I966 HydrophobicContact CG2-CG1 3.84Å; I962-I966 HydrophobicContact CG2-CG2 4.2Å; P963-I966 WeakPolarHBondContact O-CB 3.24Å; P963-I966 WeakPolarHBondContact O-CG2 3.33Å; D964-I966 VanDerWaalsContact C-N 3.33Å; I966-T968 PolarHBondContact O-N 3.16Å; I966-L969 HydrophobicContact CD1-CB 4.09Å; I966-L969 HydrophobicContact CD1-CD2 3.55Å; I966-L969 HydrophobicContact CD1-CG 4.46Å; I966-L969 WeakPolarHBondContact O-CB 3.49Å; I966-L969 PolarHBondContact O-N 2.95Å; I966-S987 VanDerWaalsContact CG2-OG 3.32Å; I966-S987 WeakPolarHBondContact CG2-OG 3.35Å; I966-I988 HydrophobicContact CG1-CG1 4.36Å; I966-I988 HydrophobicContact CG2-CB 4.02Å; I966-I988 HydrophobicContact CG2-CG1 4.43Å; I966-C991 PolarHBondContact O-SG 2.77Å
967	E	92	Very high	94.6	Very high	73 Å²	73	33.2 Å²	33.2	34%	0.341	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58.1	-22.1	177.2	68.4	-76.5	175.1	0	0	114.1	G965 S987	G965-E967 WeakPolarHBondContact CA-OE1 3.38Å; G965-E967 WeakPolarHBondContact CA-OE2 3.04Å; G965-E967 PolarHBondContact N-OE2 3.11Å; G965-E967 PolarHBondContact O-N 3.13Å; G965-E967 VanDerWaalsContact O-N 3.14Å; E967-S987 WeakPolarHBondContact CB-O 3.13Å; E967-S987 WeakPolarHBondContact OE2-CB 3.46Å; E967-S987 PolarHBondContact OE2-OG 3.43Å
968	T	92.6	Very high	94.5	Very high	73 Å²	73	37.2 Å²	37.2	45%	0.448	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-79.8	-18	175.3	62.4	0	0	0	0	113.4	F944 G965 I966 G970	F944-T968 WeakPolarHBondContact CB-OG1 3.5Å; F944-T968 PolarHBondContact O-OG1 3.14Å; G965-T968 PolarHBondContact O-N 2.93Å; G965-T968 PolarHBondContact O-OG1 2.96Å; I966-T968 PolarHBondContact O-N 3.16Å; T968-G970 PolarHBondContact O-N 2.9Å
969	L	93.4	Very high	94.5	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	19%	0.185	C	C	.	.			trans	-67.7	115.9	-178.6	-179.6	63.2	0	0	0	111	F939 L943 I952 I966 A971 L974	F939-L969 HydrophobicContact CZ-CD2 4.21Å; L943-L969 HydrophobicContact CB-CD1 4.16Å; L943-L969 WeakPolarHBondContact O-CD1 3.46Å; I952-L969 HydrophobicContact CD1-CD1 3.79Å; I952-L969 HydrophobicContact CD1-CD2 4.15Å; I952-L969 HydrophobicContact CD1-CG 4.44Å; I966-L969 HydrophobicContact CD1-CB 4.09Å; I966-L969 HydrophobicContact CD1-CD2 3.55Å; I966-L969 HydrophobicContact CD1-CG 4.46Å; I966-L969 WeakPolarHBondContact O-CB 3.49Å; I966-L969 PolarHBondContact O-N 2.95Å; L969-A971 VanDerWaalsContact C-N 3.26Å; L969-A971 HydrophobicContact CD1-CB 4.39Å; L969-A971 HydrophobicContact CD2-CB 4.09Å; L969-A971 HydrophobicContact CG-CB 3.94Å; L969-A971 PolarHBondContact O-N 3.29Å; L969-L974 HydrophobicContact CD2-CD2 4.41Å
970	G	92.1	Very high	94.4	Very high	7 Å²	7	37.6 Å²	37.6	7%	0.072	21%	0.208	C	C	.	.			trans	-84.2	27.6	-179.3	0	0	0	0	0	115.2	M946 T968 R993	M946-G970 WeakPolarHBondContact O-CA 3.41Å; M946-G970 PolarHBondContact O-N 2.53Å; M946-G970 VanDerWaalsContact O-N 3.13Å; T968-G970 PolarHBondContact O-N 2.9Å; G970-R993 WeakPolarHBondContact O-CD 3.38Å; G970-R993 PolarHBondContact O-NH1 3.1Å
971	A	95.7	Very high	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.191	C	C	.	.			trans	-73.8	154.5	-178.6	0	0	0	0	0	113	I949 I952 L969 R993 L994	I949-A971 HydrophobicContact CG2-CB 4.02Å; I949-A971 WeakPolarHBondContact O-CA 3.29Å; I952-A971 HydrophobicContact CD1-CB 3.92Å; I952-A971 HydrophobicContact CG1-CB 4.46Å; L969-A971 VanDerWaalsContact C-N 3.26Å; L969-A971 HydrophobicContact CD1-CB 4.39Å; L969-A971 HydrophobicContact CD2-CB 4.09Å; L969-A971 HydrophobicContact CG-CB 3.94Å; L969-A971 PolarHBondContact O-N 3.29Å; A971-R993 CarbonylContact O-C 3.27Å; A971-R993 VanDerWaalsContact O-CB 3.3Å; A971-R993 WeakPolarHBondContact O-CB 3.25Å; A971-L994 VanDerWaalsContact O-CA 3.24Å; A971-L994 WeakPolarHBondContact O-CA 3.27Å; A971-L994 PolarHBondContact O-N 2.86Å; A971-L994 VanDerWaalsContact O-N 3.11Å
972	V	96.5	Very high	94.3	Very high	38 Å²	38	36.1 Å²	36.1	23%	0.23	20%	0.201	C	C	.	.	S	Bend	trans	-99.4	-38.6	171.6	-176.4	0	0	0	0	111.5	D950 R993 K995 V996	D950-V972 CarbonylContact O-C 3.46Å; D950-V972 WeakPolarHBondContact O-CA 3.45Å; D950-V972 VanDerWaalsContact O-CB 3.29Å; D950-V972 WeakPolarHBondContact O-CB 3.14Å; D950-V972 PolarHBondContact O-N 2.85Å; V972-R993 WeakPolarHBondContact CA-O 3.32Å; V972-R993 HydrophobicContact CG2-CB 4.42Å; V972-K995 HydrophobicContact CG1-CB 4.23Å; V972-K995 HydrophobicContact CG1-CD 4.14Å; V972-K995 HydrophobicContact CG1-CG 4.31Å; V972-K995 PolarHBondContact O-N 2.97Å; V972-V996 PolarHBondContact O-N 3.1Å
973	E	97.1	Very high	94.2	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.3	173.2	179.3	158.9	-172.2	0	0	110.4	D950 V951 I952 V996 R998	D950-E973 PolarHBondContact O-N 2.57Å; V951-E973 WeakPolarHBondContact CA-O 3.44Å; V951-E973 HydrophobicContact CG1-CB 4.33Å; V951-E973 HydrophobicContact CG1-CG 4.35Å; V951-E973 HydrophobicContact CG2-CB 4.28Å; I952-E973 PolarHBondContact N-O 3.18Å; E973-V996 WeakPolarHBondContact CA-O 3.49Å; E973-V996 HydrophobicContact CB-CB 3.91Å; E973-V996 HydrophobicContact CB-CG1 4.43Å; E973-V996 HydrophobicContact CG-CB 3.76Å; E973-V996 HydrophobicContact CG-CG1 3.71Å; E973-R998 IonicContact OE1-CZ 3.39Å; E973-R998 VanDerWaalsContact OE1-CZ 3.25Å; E973-R998 IonicContact OE1-NE 3.25Å; E973-R998 PolarHBondContact OE1-NE 3.05Å; E973-R998 IonicContact OE1-NH2 2.73Å; E973-R998 PolarHBondContact OE1-NH2 2.69Å
974	L	97.6	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.8	173.6	179.5	59.1	0	0	0	108.7	F939 I952 L954 L969 L976 L994 V996 L997 R998	F939-L974 HydrophobicContact CE2-CD1 4.31Å; F939-L974 HydrophobicContact CE2-CD2 4.22Å; F939-L974 HydrophobicContact CZ-CD2 4.5Å; I952-L974 HydrophobicContact CB-CD1 3.98Å; I952-L974 HydrophobicContact CG2-CD1 3.82Å; L954-L974 HydrophobicContact CD1-CD1 4.37Å; L969-L974 HydrophobicContact CD2-CD2 4.41Å; L974-L976 HydrophobicContact CD1-CD1 4.35Å; L974-L976 HydrophobicContact CD1-CG 4.32Å; L974-L976 HydrophobicContact CD2-CD1 3.85Å; L974-L976 HydrophobicContact CG-CD1 3.9Å; L974-L976 HydrophobicContact CG-CG 4.19Å; L974-L994 HydrophobicContact CB-CD1 3.82Å; L974-V996 PolarHBondContact N-O 2.9Å; L974-L997 HydrophobicContact CB-CD1 4.2Å; L974-L997 HydrophobicContact CD2-CD1 4.12Å; L974-L997 HydrophobicContact CG-CD1 4.21Å; L974-R998 PolarHBondContact O-N 3.13Å
975	N	97.7	Very high	94.3	Very high	20 Å²	20	31 Å²	31	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.2	176	-178.7	14.8	0	0	0	110.2	I952 D953 L954 S955 N977 R998	I952-N975 PolarHBondContact O-N 3.19Å; D953-N975 HydrophobicContact CB-CB 4.41Å; D953-N975 VanDerWaalsContact CG-ND2 3.31Å; D953-N975 PolarHBondContact OD1-ND2 3.26Å; D953-N975 VanDerWaalsContact OD1-ND2 3.13Å; D953-N975 PolarHBondContact OD2-ND2 3.11Å; D953-N975 VanDerWaalsContact OD2-ND2 3.11Å; L954-N975 CarbonylContact C-O 3.58Å; L954-N975 WeakPolarHBondContact CA-O 3.34Å; L954-N975 PolarHBondContact N-O 2.94Å; S955-N975 PolarHBondContact N-O 3.38Å; S955-N975 PolarHBondContact OG-ND2 2.98Å; N975-N977 WeakPolarHBondContact OD1-CB 3.42Å; N975-N977 VanDerWaalsContact OD1-CG 3.25Å; N975-N977 PolarHBondContact OD1-N 3.03Å; N975-N977 VanDerWaalsContact OD1-N 3.12Å; N975-R998 HydrophobicContact CB-CB 4.48Å
976	L	97.6	Very high	94.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.			trans	-125.2	18.5	177.9	-75.2	161	0	0	0	111.5	F939 L954 I959 I962 L974 N979 L981 R998 V999 N1002	F939-L976 HydrophobicContact CD2-CD2 4.45Å; F939-L976 HydrophobicContact CE2-CD1 4.31Å; F939-L976 HydrophobicContact CE2-CD2 4.45Å; L954-L976 HydrophobicContact CB-CD2 3.68Å; L954-L976 HydrophobicContact CD1-CD2 4.08Å; I959-L976 HydrophobicContact CD1-CD2 3.8Å; I962-L976 HydrophobicContact CD1-CD1 3.49Å; I962-L976 VanDerWaalsContact CD1-CD1 3.49Å; I962-L976 HydrophobicContact CG1-CD1 3.9Å; L974-L976 HydrophobicContact CD1-CD1 4.35Å; L974-L976 HydrophobicContact CD1-CG 4.32Å; L974-L976 HydrophobicContact CD2-CD1 3.85Å; L974-L976 HydrophobicContact CG-CD1 3.9Å; L974-L976 HydrophobicContact CG-CG 4.19Å; L976-N979 WeakPolarHBondContact O-CB 3.17Å; L976-N979 PolarHBondContact O-ND2 2.95Å; L976-L981 HydrophobicContact CB-CD1 3.95Å; L976-L981 HydrophobicContact CD1-CD1 4.18Å; L976-R998 CarbonylContact C-O 3.49Å; L976-R998 WeakPolarHBondContact CA-O 3.48Å; L976-R998 WeakPolarHBondContact CB-O 3.33Å; L976-R998 PolarHBondContact N-O 2.95Å; L976-V999 HydrophobicContact CB-CG1 4.2Å; L976-N1002 PolarHBondContact O-ND2 3.34Å
977	N	93.4	Very high	94.3	Very high	27 Å²	27	35 Å²	35	14%	0.144	19%	0.192	C	C	.	.			trans	-54.5	149.1	177.6	-71.1	2.5	0	0	0	112.2	S955 C956 N975 N979 R998 V999 E1000	S955-N977 CarbonylContact C-O 3.11Å; S955-N977 WeakPolarHBondContact CA-O 3.36Å; S955-N977 WeakPolarHBondContact CB-O 3.44Å; C956-N977 PolarHBondContact N-O 2.91Å; N975-N977 WeakPolarHBondContact OD1-CB 3.42Å; N975-N977 VanDerWaalsContact OD1-CG 3.25Å; N975-N977 PolarHBondContact OD1-N 3.03Å; N975-N977 VanDerWaalsContact OD1-N 3.12Å; N977-N979 PolarHBondContact O-ND2 2.96Å; N977-R998 WeakPolarHBondContact OD1-CB 3.05Å; N977-R998 PolarHBondContact OD1-O 2.9Å; N977-V999 PolarHBondContact OD1-N 3.06Å; N977-V999 VanDerWaalsContact OD1-N 3.15Å; N977-E1000 CarbonylContact C-O 3.41Å; N977-E1000 WeakPolarHBondContact CA-O 3.48Å; N977-E1000 HydrophobicContact CB-CB 4.42Å; N977-E1000 PolarHBondContact ND2-OE2 3.34Å; N977-E1000 WeakPolarHBondContact OD1-CB 3.29Å; N977-E1000 PolarHBondContact OD1-N 2.87Å
978	Q	91.5	Very high	94.4	Very high	95 Å²	95	31.5 Å²	31.5	44%	0.444	18%	0.176	S	C	.	.	S	Bend	trans	54.7	54.4	178.7	-64.9	179.4	1.5	0	0	112.3	C956 N957 E1000 E1001	C956-Q978 CarbonylContact C-O 3.57Å; C956-Q978 WeakPolarHBondContact CA-O 3.48Å; C956-Q978 PolarHBondContact N-O 3.31Å; C956-Q978 VanDerWaalsContact N-O 3.16Å; C956-Q978 PolarHBondContact SG-OE1 3.36Å; N957-Q978 PolarHBondContact N-O 3.4Å; Q978-E1000 PolarHBondContact N-O 2.87Å; Q978-E1001 VanDerWaalsContact CA-O 3.25Å; Q978-E1001 WeakPolarHBondContact CA-O 3.23Å; Q978-E1001 VanDerWaalsContact CD-OE2 3.31Å; Q978-E1001 HydrophobicContact CG-CB 3.86Å; Q978-E1001 WeakPolarHBondContact CG-OE2 3.42Å; Q978-E1001 PolarHBondContact N-O 3.42Å; Q978-E1001 PolarHBondContact NE2-OE2 3.41Å
979	N	95.5	Very high	94.3	Very high	11 Å²	11	28.6 Å²	28.6	6%	0.059	16%	0.159	C	C	.	.	S	Bend	trans	-119.3	-159.4	170.4	-87.4	-84.5	0	0	0	109.2	L954 N957 K958 I959 L976 N977 L981 N1002	L954-N979 PolarHBondContact O-ND2 2.89Å; N957-N979 WeakPolarHBondContact CA-OD1 3.28Å; N957-N979 WeakPolarHBondContact CB-OD1 3.46Å; K958-N979 PolarHBondContact N-OD1 3.39Å; I959-N979 HydrophobicContact CB-CB 4.44Å; I959-N979 WeakPolarHBondContact CB-OD1 3.3Å; I959-N979 WeakPolarHBondContact CG1-OD1 3.24Å; I959-N979 PolarHBondContact N-OD1 2.99Å; L976-N979 WeakPolarHBondContact O-CB 3.17Å; L976-N979 PolarHBondContact O-ND2 2.95Å; N977-N979 PolarHBondContact O-ND2 2.96Å; N979-L981 HydrophobicContact CB-CG 4.29Å; N979-N1002 VanDerWaalsContact CA-OD1 3.31Å; N979-N1002 WeakPolarHBondContact CA-OD1 3.38Å; N979-N1002 WeakPolarHBondContact CB-OD1 3.37Å; N979-N1002 PolarHBondContact N-OD1 2.89Å; N979-N1002 PolarHBondContact O-OD1 3.21Å
980	Q	94.5	Very high	94.3	Very high	102 Å²	102	31.6 Å²	31.6	48%	0.477	18%	0.181	S	C	.	.			trans	-122.8	30.1	178.9	-61.6	-178.1	-0.1	0	0	110.3	I959 T960 S982 N1002	I959-Q980 CarbonylContact O-C 3.06Å; I959-Q980 WeakPolarHBondContact O-CA 3.5Å; I959-Q980 PolarHBondContact O-N 2.88Å; T960-Q980 WeakPolarHBondContact CA-O 3.46Å; T960-Q980 HydrophobicContact CG2-CB 4.48Å; Q980-S982 PolarHBondContact O-N 3.49Å; Q980-S982 VanDerWaalsContact O-N 3.13Å; Q980-N1002 PolarHBondContact N-OD1 2.71Å
981	L	95.6	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.			trans	-60.8	117.4	-174.4	-65.8	175.3	0	0	0	110	I959 T960 I962 L976 N979 V999 N1002 C1003 L1004	I959-L981 HydrophobicContact CB-CD2 4.43Å; I959-L981 HydrophobicContact CG2-CD2 3.86Å; I959-L981 PolarHBondContact O-N 2.9Å; I959-L981 VanDerWaalsContact O-N 3.13Å; T960-L981 CarbonylContact O-C 3.27Å; T960-L981 WeakPolarHBondContact O-CA 3.45Å; I962-L981 HydrophobicContact CD1-CD1 4.42Å; I962-L981 HydrophobicContact CG1-CD1 4.32Å; I962-L981 HydrophobicContact CG1-CD2 4.04Å; L976-L981 HydrophobicContact CB-CD1 3.95Å; L976-L981 HydrophobicContact CD1-CD1 4.18Å; N979-L981 HydrophobicContact CB-CG 4.29Å; L981-V999 HydrophobicContact CD1-CB 4.35Å; L981-V999 HydrophobicContact CD1-CG1 3.81Å; L981-N1002 HydrophobicContact CB-CB 4.14Å; L981-N1002 VanDerWaalsContact CB-OD1 3.27Å; L981-N1002 WeakPolarHBondContact CB-OD1 3.44Å; L981-N1002 VanDerWaalsContact CG-OD1 3.28Å; L981-N1002 WeakPolarHBondContact CG-OD1 3.49Å; L981-N1002 PolarHBondContact N-OD1 3.13Å; L981-C1003 CarbonylContact O-C 3.6Å; L981-C1003 WeakPolarHBondContact O-CA 3.22Å; L981-C1003 WeakPolarHBondContact O-CB 3.29Å; L981-C1003 PolarHBondContact O-N 3.19Å; L981-L1004 HydrophobicContact CB-CD1 4.49Å; L981-L1004 HydrophobicContact CB-CD2 4.03Å; L981-L1004 HydrophobicContact CB-CG 4.19Å; L981-L1004 WeakPolarHBondContact O-CG 3.13Å; L981-L1004 PolarHBondContact O-N 2.96Å; L981-L1004 VanDerWaalsContact O-N 3.16Å
982	S	93.8	Very high	94.1	Very high	70 Å²	70	38.3 Å²	38.3	49%	0.49	22%	0.215	S	C	.	.			trans	-111.4	1.6	174.4	68.5	0	0	0	0	112.9	T960 Q980	T960-S982 PolarHBondContact O-N 2.79Å; T960-S982 PolarHBondContact O-OG 3.12Å; Q980-S982 PolarHBondContact O-N 3.49Å; Q980-S982 VanDerWaalsContact O-N 3.13Å
983	S	93.4	Very high	93.9	Very high	46 Å²	46	39.5 Å²	39.5	32%	0.322	22%	0.216	S	C	.	.			trans	-163.1	155	170.4	62.1	0	0	0	0	112.2	C961 I962	C961-S983 WeakPolarHBondContact CA-O 3.31Å; C961-S983 WeakPolarHBondContact CB-OG 3.11Å; I962-S983 PolarHBondContact N-O 3.38Å; I962-S983 VanDerWaalsContact N-O 3.16Å
984	I	93.5	Very high	93.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-124.9	131.6	173.3	-66.2	176.2	0	0	0	108.2	I962 I988 V999 L1004 F1009 W1010 I1013	I962-I984 HydrophobicContact CB-CG2 4.49Å; I962-I984 HydrophobicContact CD1-CD1 4.43Å; I962-I984 HydrophobicContact CD1-CG1 4.01Å; I962-I984 HydrophobicContact CD1-CG2 4.24Å; I962-I984 HydrophobicContact CG1-CG1 4.32Å; I984-I988 HydrophobicContact CG2-CB 4.39Å; I984-I988 HydrophobicContact CG2-CD1 4.26Å; I984-I988 HydrophobicContact CG2-CG2 3.7Å; I984-V999 HydrophobicContact CD1-CG1 4.4Å; I984-L1004 HydrophobicContact CD1-CD1 3.61Å; I984-L1004 HydrophobicContact CD1-CD2 4.22Å; I984-L1004 HydrophobicContact CG1-CD1 4.16Å; I984-L1004 HydrophobicContact CG1-CD2 3.88Å; I984-F1009 HydrophobicContact CD1-CE1 4.25Å; I984-F1009 HydrophobicContact CD1-CZ 4.28Å; I984-W1010 PolarHBondContact O-NE1 3.45Å; I984-I1013 HydrophobicContact CG2-CD1 3.97Å
985	S	93	Very high	93.7	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.084	23%	0.229	C	C	.	.			trans	-63.1	139.7	171.4	170.6	0	0	0	0	112.1	I962 D964 S987 I988	I962-S985 VanDerWaalsContact O-CB 3.29Å; I962-S985 WeakPolarHBondContact O-CB 3.15Å; I962-S985 PolarHBondContact O-N 2.91Å; D964-S985 VanDerWaalsContact OD1-CB 3.27Å; D964-S985 WeakPolarHBondContact OD1-CB 3.2Å; D964-S985 PolarHBondContact OD1-OG 3.03Å; S985-S987 PolarHBondContact O-N 3.45Å; S985-S987 PolarHBondContact OG-N 2.91Å; S985-S987 VanDerWaalsContact OG-N 3.1Å; S985-S987 PolarHBondContact OG-OG 3.16Å; S985-I988 VanDerWaalsContact O-CG2 3.23Å; S985-I988 WeakPolarHBondContact O-CG2 3.18Å; S985-I988 PolarHBondContact O-N 3.32Å
986	E	91	Very high	93.7	Very high	77 Å²	77	42.9 Å²	42.9	36%	0.36	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.5	-28.6	173.2	-165	-170.5	-145.8	0	0	112.2	I988 A989 W1010 K1012	E986-I988 PolarHBondContact O-N 3.15Å; E986-I988 VanDerWaalsContact O-N 3.1Å; E986-A989 WeakPolarHBondContact O-CB 3.27Å; E986-A989 PolarHBondContact O-N 2.84Å; E986-A989 VanDerWaalsContact O-N 3.08Å; E986-W1010 VanDerWaalsContact CA-CD1 3.47Å; E986-W1010 HydrophobicContact CB-CD2 4.31Å; E986-W1010 HydrophobicContact CB-CG 3.95Å; E986-W1010 HydrophobicContact CG-CB 3.93Å; E986-W1010 HydrophobicContact CG-CD2 4.45Å; E986-W1010 HydrophobicContact CG-CG 3.88Å; E986-K1012 HydrophobicContact CG-CB 4.37Å; E986-K1012 HydrophobicContact CG-CD 4.17Å; E986-K1012 HydrophobicContact CG-CG 4.44Å; E986-K1012 WeakPolarHBondContact OE1-CD 3.37Å; E986-K1012 WeakPolarHBondContact OE1-CE 3.15Å; E986-K1012 WeakPolarHBondContact OE1-CG 3.31Å; E986-K1012 IonicContact OE1-NZ 3.57Å; E986-K1012 PolarHBondContact OE1-NZ 3.05Å; E986-K1012 IonicContact OE2-NZ 2.67Å; E986-K1012 PolarHBondContact OE2-NZ 3.26Å
987	S	92.5	Very high	93.6	Very high	25 Å²	25	42.9 Å²	42.9	18%	0.175	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-67.3	-14.5	-175.8	84.4	0	0	0	0	113.5	I966 E967 S985 A989 S990	I966-S987 VanDerWaalsContact CG2-OG 3.32Å; I966-S987 WeakPolarHBondContact CG2-OG 3.35Å; E967-S987 WeakPolarHBondContact CB-O 3.13Å; E967-S987 WeakPolarHBondContact OE2-CB 3.46Å; E967-S987 PolarHBondContact OE2-OG 3.43Å; S985-S987 PolarHBondContact O-N 3.45Å; S985-S987 PolarHBondContact OG-N 2.91Å; S985-S987 VanDerWaalsContact OG-N 3.1Å; S985-S987 PolarHBondContact OG-OG 3.16Å; S987-A989 PolarHBondContact O-N 2.82Å; S987-A989 VanDerWaalsContact O-N 3.13Å; S987-S990 WeakPolarHBondContact O-CB 3.41Å; S987-S990 PolarHBondContact O-N 2.84Å
988	I	94.1	Very high	93.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58	-25.9	171.1	-156.6	173.4	0	0	0	112.7	I962 I966 I984 S985 E986 S990 C991 L994 L997 I1013	I962-I988 HydrophobicContact CD1-CD1 3.8Å; I962-I988 HydrophobicContact CG2-CD1 4.36Å; I966-I988 HydrophobicContact CG1-CG1 4.36Å; I966-I988 HydrophobicContact CG2-CB 4.02Å; I966-I988 HydrophobicContact CG2-CG1 4.43Å; I984-I988 HydrophobicContact CG2-CB 4.39Å; I984-I988 HydrophobicContact CG2-CD1 4.26Å; I984-I988 HydrophobicContact CG2-CG2 3.7Å; S985-I988 VanDerWaalsContact O-CG2 3.23Å; S985-I988 WeakPolarHBondContact O-CG2 3.18Å; S985-I988 PolarHBondContact O-N 3.32Å; E986-I988 PolarHBondContact O-N 3.15Å; E986-I988 VanDerWaalsContact O-N 3.1Å; I988-S990 PolarHBondContact O-N 3.46Å; I988-C991 WeakPolarHBondContact O-CB 3.44Å; I988-C991 PolarHBondContact O-N 2.72Å; I988-C991 PolarHBondContact O-SG 2.99Å; I988-C991 VanDerWaalsContact O-SG 3.38Å; I988-L994 HydrophobicContact CD1-CD2 4.19Å; I988-L994 HydrophobicContact CG1-CD2 3.9Å; I988-L997 HydrophobicContact CD1-CD1 4.15Å; I988-L997 HydrophobicContact CD1-CD2 3.71Å; I988-I1013 HydrophobicContact CG2-CD1 3.46Å; I988-I1013 VanDerWaalsContact CG2-CD1 3.46Å; I988-I1013 HydrophobicContact CG2-CG1 3.72Å
989	A	91.6	Very high	94	Very high	12 Å²	12	40.4 Å²	40.4	10%	0.099	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.7	-25.2	174.7	0	0	0	0	0	112.5	E986 S987 K1012 I1013 S1017	E986-A989 WeakPolarHBondContact O-CB 3.27Å; E986-A989 PolarHBondContact O-N 2.84Å; E986-A989 VanDerWaalsContact O-N 3.08Å; S987-A989 PolarHBondContact O-N 2.82Å; S987-A989 VanDerWaalsContact O-N 3.13Å; A989-K1012 HydrophobicContact CB-CB 3.77Å; A989-I1013 HydrophobicContact CB-CG1 4.13Å; A989-S1017 WeakPolarHBondContact O-CA 3.28Å; A989-S1017 WeakPolarHBondContact O-CB 3.13Å
990	S	93.4	Very high	93.9	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-88.9	1.3	-180	-56.5	0	0	0	0	114.2	S987 I988 N992	S987-S990 WeakPolarHBondContact O-CB 3.41Å; S987-S990 PolarHBondContact O-N 2.84Å; I988-S990 PolarHBondContact O-N 3.46Å; S990-N992 PolarHBondContact O-N 2.86Å
991	C	93.1	Very high	93.7	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.034	23%	0.226	C	C	.	.			trans	-66.4	91.6	176.5	-67.3	0	0	0	0	112.2	I966 I988 R993 L994	I966-C991 PolarHBondContact O-SG 2.77Å; I988-C991 WeakPolarHBondContact O-CB 3.44Å; I988-C991 PolarHBondContact O-N 2.72Å; I988-C991 PolarHBondContact O-SG 2.99Å; I988-C991 VanDerWaalsContact O-SG 3.38Å; C991-R993 PolarHBondContact O-N 2.73Å; C991-L994 HydrophobicContact CB-CB 3.61Å; C991-L994 HydrophobicContact CB-CD2 4.12Å; C991-L994 PolarHBondContact O-N 2.67Å
992	N	89	Confident	93.6	Very high	144 Å²	144	43.2 Å²	43.2	77%	0.77	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-23	-171.2	-69.3	-55.6	0	0	0	116.7	S990	S990-N992 PolarHBondContact O-N 2.86Å
993	R	94.3	Very high	93.6	Very high	63 Å²	63	42.6 Å²	42.6	24%	0.238	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-15.4	179.5	-67.7	-169.6	71.1	-133.6	-0.1	114.1	Q948 I949 D950 G970 A971 V972 C991 K995	Q948-R993 PolarHBondContact O-NH1 3.23Å; I949-R993 PolarHBondContact O-NH1 2.93Å; D950-R993 IonicContact OD1-CZ 3.48Å; D950-R993 IonicContact OD1-NH1 3.57Å; D950-R993 IonicContact OD1-NH2 3.25Å; D950-R993 PolarHBondContact OD1-NH2 3.04Å; G970-R993 WeakPolarHBondContact O-CD 3.38Å; G970-R993 PolarHBondContact O-NH1 3.1Å; A971-R993 CarbonylContact O-C 3.27Å; A971-R993 VanDerWaalsContact O-CB 3.3Å; A971-R993 WeakPolarHBondContact O-CB 3.25Å; V972-R993 WeakPolarHBondContact CA-O 3.32Å; V972-R993 HydrophobicContact CG2-CB 4.42Å; C991-R993 PolarHBondContact O-N 2.73Å; R993-K995 PolarHBondContact O-N 3.33Å
994	L	95.6	Very high	93.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.208	C	C	.	.			trans	-76.3	116.3	-167.8	-172.5	65.5	0	0	0	110.9	A971 L974 I988 C991 V996 Q1018 I1019	A971-L994 VanDerWaalsContact O-CA 3.24Å; A971-L994 WeakPolarHBondContact O-CA 3.27Å; A971-L994 PolarHBondContact O-N 2.86Å; A971-L994 VanDerWaalsContact O-N 3.11Å; L974-L994 HydrophobicContact CB-CD1 3.82Å; I988-L994 HydrophobicContact CD1-CD2 4.19Å; I988-L994 HydrophobicContact CG1-CD2 3.9Å; C991-L994 HydrophobicContact CB-CB 3.61Å; C991-L994 HydrophobicContact CB-CD2 4.12Å; C991-L994 PolarHBondContact O-N 2.67Å; L994-V996 WeakPolarHBondContact CD1-O 3.38Å; L994-Q1018 CarbonylContact O-C 3.21Å; L994-Q1018 VanDerWaalsContact O-C 3.27Å; L994-I1019 HydrophobicContact CD2-CD1 4Å; L994-I1019 HydrophobicContact CD2-CG1 4.26Å; L994-I1019 HydrophobicContact CG-CD1 4.44Å; L994-I1019 HydrophobicContact CG-CG1 4.18Å; L994-I1019 PolarHBondContact O-N 3.28Å
995	K	94.8	Very high	93.5	Very high	111 Å²	111	42.1 Å²	42.1	48%	0.483	22%	0.222	S	C	.	.			trans	-112.8	-30.6	-179.4	-66.9	-179	-176.1	178.2	0	112.6	V972 R993 S1020 L1021	V972-K995 HydrophobicContact CG1-CB 4.23Å; V972-K995 HydrophobicContact CG1-CD 4.14Å; V972-K995 HydrophobicContact CG1-CG 4.31Å; V972-K995 PolarHBondContact O-N 2.97Å; R993-K995 PolarHBondContact O-N 3.33Å; K995-S1020 PolarHBondContact O-N 3.08Å; K995-L1021 PolarHBondContact O-N 3.01Å
996	V	96.1	Very high	93.2	Very high	22 Å²	22	42.2 Å²	42.2	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.9	-177.5	-177.1	0	0	0	0	108.8	V972 E973 L974 L994 R998 L1021	V972-V996 PolarHBondContact O-N 3.1Å; E973-V996 WeakPolarHBondContact CA-O 3.49Å; E973-V996 HydrophobicContact CB-CB 3.91Å; E973-V996 HydrophobicContact CB-CG1 4.43Å; E973-V996 HydrophobicContact CG-CB 3.76Å; E973-V996 HydrophobicContact CG-CG1 3.71Å; L974-V996 PolarHBondContact N-O 2.9Å; L994-V996 WeakPolarHBondContact CD1-O 3.38Å; V996-R998 HydrophobicContact CG1-CG 4.13Å; V996-L1021 WeakPolarHBondContact CA-O 3.17Å; V996-L1021 HydrophobicContact CB-CB 4.49Å; V996-L1021 HydrophobicContact CG1-CB 4.25Å; V996-L1021 HydrophobicContact CG1-CD2 4.1Å; V996-L1021 HydrophobicContact CG2-CB 4.13Å
997	L	96.4	Very high	93	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.2	171.8	176.2	64.3	0	0	0	108.2	L974 I988 V999 I1019 L1021 L1022 A1023	L974-L997 HydrophobicContact CB-CD1 4.2Å; L974-L997 HydrophobicContact CD2-CD1 4.12Å; L974-L997 HydrophobicContact CG-CD1 4.21Å; I988-L997 HydrophobicContact CD1-CD1 4.15Å; I988-L997 HydrophobicContact CD1-CD2 3.71Å; L997-V999 HydrophobicContact CD1-CG1 4.03Å; L997-V999 HydrophobicContact CG-CG1 4.13Å; L997-I1019 HydrophobicContact CB-CD1 4.23Å; L997-I1019 HydrophobicContact CB-CG2 4.18Å; L997-I1019 HydrophobicContact CD2-CD1 4.12Å; L997-L1021 PolarHBondContact N-O 3.36Å; L997-L1022 HydrophobicContact CB-CD2 4.02Å; L997-L1022 HydrophobicContact CD2-CD2 3.89Å; L997-L1022 HydrophobicContact CG-CD2 4.25Å; L997-L1022 WeakPolarHBondContact O-CA 3.47Å; L997-A1023 PolarHBondContact O-N 3.07Å
998	R	96.5	Very high	92.7	Very high	70 Å²	70	45 Å²	45	26%	0.264	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.1	175.6	-41.6	-180	175	-89.5	-6	109.3	E973 L974 N975 L976 N977 V996 A1023	E973-R998 IonicContact OE1-CZ 3.39Å; E973-R998 VanDerWaalsContact OE1-CZ 3.25Å; E973-R998 IonicContact OE1-NE 3.25Å; E973-R998 PolarHBondContact OE1-NE 3.05Å; E973-R998 IonicContact OE1-NH2 2.73Å; E973-R998 PolarHBondContact OE1-NH2 2.69Å; L974-R998 PolarHBondContact O-N 3.13Å; N975-R998 HydrophobicContact CB-CB 4.48Å; L976-R998 CarbonylContact C-O 3.49Å; L976-R998 WeakPolarHBondContact CA-O 3.48Å; L976-R998 WeakPolarHBondContact CB-O 3.33Å; L976-R998 PolarHBondContact N-O 2.95Å; N977-R998 WeakPolarHBondContact OD1-CB 3.05Å; N977-R998 PolarHBondContact OD1-O 2.9Å; V996-R998 HydrophobicContact CG1-CG 4.13Å; R998-A1023 HydrophobicContact CB-CB 4.11Å; R998-A1023 HydrophobicContact CG-CB 4.19Å
999	V	96.1	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.			trans	-138.3	30.8	-179.4	-67.7	0	0	0	0	110	L976 N977 L981 I984 L997 N1002 L1004 F1009 A1023 V1024 N1027	L976-V999 HydrophobicContact CB-CG1 4.2Å; N977-V999 PolarHBondContact OD1-N 3.06Å; N977-V999 VanDerWaalsContact OD1-N 3.15Å; L981-V999 HydrophobicContact CD1-CB 4.35Å; L981-V999 HydrophobicContact CD1-CG1 3.81Å; I984-V999 HydrophobicContact CD1-CG1 4.4Å; L997-V999 HydrophobicContact CD1-CG1 4.03Å; L997-V999 HydrophobicContact CG-CG1 4.13Å; V999-N1002 PolarHBondContact O-ND2 3.27Å; V999-L1004 HydrophobicContact CB-CD1 4.04Å; V999-L1004 HydrophobicContact CG2-CD1 3.97Å; V999-F1009 HydrophobicContact CG2-CE1 4.22Å; V999-F1009 HydrophobicContact CG2-CZ 3.81Å; V999-A1023 PolarHBondContact N-O 2.81Å; V999-V1024 HydrophobicContact CG2-CB 4.49Å; V999-V1024 HydrophobicContact CG2-CG1 3.92Å; V999-N1027 PolarHBondContact O-ND2 2.91Å
1000	E	93.1	Very high	91.7	Very high	53 Å²	53	50 Å²	50	25%	0.248	26%	0.256	C	S	.	.			trans	-64.3	149.1	177.7	-55.7	170.4	110.6	0	0	110.2	N977 Q978 N1002 A1023 E1025	N977-E1000 CarbonylContact C-O 3.41Å; N977-E1000 WeakPolarHBondContact CA-O 3.48Å; N977-E1000 HydrophobicContact CB-CB 4.42Å; N977-E1000 PolarHBondContact ND2-OE2 3.34Å; N977-E1000 WeakPolarHBondContact OD1-CB 3.29Å; N977-E1000 PolarHBondContact OD1-N 2.87Å; Q978-E1000 PolarHBondContact N-O 2.87Å; E1000-N1002 PolarHBondContact O-ND2 2.77Å; E1000-A1023 VanDerWaalsContact CD-CB 3.47Å; E1000-A1023 VanDerWaalsContact CG-C 3.44Å; E1000-A1023 HydrophobicContact CG-CB 3.65Å; E1000-A1023 PolarHBondContact N-O 3.42Å; E1000-E1025 CarbonylContact C-O 3.01Å; E1000-E1025 WeakPolarHBondContact CA-O 3.39Å; E1000-E1025 WeakPolarHBondContact CB-O 3.48Å
1001	E	91.1	Very high	91.3	Very high	111 Å²	111	54.3 Å²	54.3	52%	0.519	26%	0.262	S	S	.	.	S	Bend	trans	52.5	63.2	180	-60.2	-178	-176.1	0	0	112.7	Q978 E1025 G1026	Q978-E1001 VanDerWaalsContact CA-O 3.25Å; Q978-E1001 WeakPolarHBondContact CA-O 3.23Å; Q978-E1001 VanDerWaalsContact CD-OE2 3.31Å; Q978-E1001 HydrophobicContact CG-CB 3.86Å; Q978-E1001 WeakPolarHBondContact CG-OE2 3.42Å; Q978-E1001 PolarHBondContact N-O 3.42Å; Q978-E1001 PolarHBondContact NE2-OE2 3.41Å; E1001-E1025 PolarHBondContact N-O 3.08Å; E1001-G1026 WeakPolarHBondContact CA-O 3.44Å
1002	N	93.9	Very high	91.1	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.043	28%	0.278	C	S	.	.	S	Bend	trans	-134.6	-167.7	179	-88.4	-85.3	0	0	0	110.3	L976 N979 Q980 L981 V999 E1000 G1026 N1027	L976-N1002 PolarHBondContact O-ND2 3.34Å; N979-N1002 VanDerWaalsContact CA-OD1 3.31Å; N979-N1002 WeakPolarHBondContact CA-OD1 3.38Å; N979-N1002 WeakPolarHBondContact CB-OD1 3.37Å; N979-N1002 PolarHBondContact N-OD1 2.89Å; N979-N1002 PolarHBondContact O-OD1 3.21Å; Q980-N1002 PolarHBondContact N-OD1 2.71Å; L981-N1002 HydrophobicContact CB-CB 4.14Å; L981-N1002 VanDerWaalsContact CB-OD1 3.27Å; L981-N1002 WeakPolarHBondContact CB-OD1 3.44Å; L981-N1002 VanDerWaalsContact CG-OD1 3.28Å; L981-N1002 WeakPolarHBondContact CG-OD1 3.49Å; L981-N1002 PolarHBondContact N-OD1 3.13Å; V999-N1002 PolarHBondContact O-ND2 3.27Å; E1000-N1002 PolarHBondContact O-ND2 2.77Å; N1002-G1026 PolarHBondContact N-O 2.87Å; N1002-N1027 WeakPolarHBondContact CA-OD1 3.38Å; N1002-N1027 WeakPolarHBondContact CB-OD1 3.46Å; N1002-N1027 PolarHBondContact O-OD1 3.32Å
1003	C	93.1	Very high	91.2	Very high	58 Å²	58	51.4 Å²	51.4	39%	0.392	24%	0.242	S	C	.	.			trans	-115.9	28.4	-175.2	-59.1	0	0	0	0	113.3	L981 N1027 L1028	L981-C1003 CarbonylContact O-C 3.6Å; L981-C1003 WeakPolarHBondContact O-CA 3.22Å; L981-C1003 WeakPolarHBondContact O-CB 3.29Å; L981-C1003 PolarHBondContact O-N 3.19Å; C1003-N1027 PolarHBondContact N-OD1 2.98Å; C1003-L1028 HydrophobicContact CB-CD1 4.42Å; C1003-L1028 WeakPolarHBondContact O-CD1 3.41Å
1004	L	92.8	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.			trans	-80.5	142.7	-177.4	-59.6	165.6	0	0	0	111.6	L981 I984 V999 D1008 F1009 N1027 L1028 F1029	L981-L1004 HydrophobicContact CB-CD1 4.49Å; L981-L1004 HydrophobicContact CB-CD2 4.03Å; L981-L1004 HydrophobicContact CB-CG 4.19Å; L981-L1004 WeakPolarHBondContact O-CG 3.13Å; L981-L1004 PolarHBondContact O-N 2.96Å; L981-L1004 VanDerWaalsContact O-N 3.16Å; I984-L1004 HydrophobicContact CD1-CD1 3.61Å; I984-L1004 HydrophobicContact CD1-CD2 4.22Å; I984-L1004 HydrophobicContact CG1-CD1 4.16Å; I984-L1004 HydrophobicContact CG1-CD2 3.88Å; V999-L1004 HydrophobicContact CB-CD1 4.04Å; V999-L1004 HydrophobicContact CG2-CD1 3.97Å; L1004-D1008 HydrophobicContact CB-CB 4.43Å; L1004-D1008 HydrophobicContact CD2-CB 4.07Å; L1004-F1009 HydrophobicContact CB-CE2 4.18Å; L1004-F1009 HydrophobicContact CD1-CE2 3.99Å; L1004-F1009 HydrophobicContact CD1-CZ 3.88Å; L1004-N1027 HydrophobicContact CB-CB 4.34Å; L1004-N1027 WeakPolarHBondContact CB-OD1 3.44Å; L1004-N1027 PolarHBondContact N-OD1 2.79Å; L1004-N1027 VanDerWaalsContact N-OD1 3.08Å; L1004-L1028 WeakPolarHBondContact O-CA 3.37Å; L1004-L1028 VanDerWaalsContact O-CB 3.29Å; L1004-L1028 WeakPolarHBondContact O-CB 3.15Å; L1004-L1028 PolarHBondContact O-N 3.13Å; L1004-F1029 HydrophobicContact CB-CE1 4.41Å; L1004-F1029 WeakPolarHBondContact O-CD1 3.37Å
1005	A	92.4	Very high	90.7	Very high	39 Å²	39	49.4 Å²	49.4	32%	0.322	24%	0.238	S	C	.	.			trans	-84.1	168.6	164.1	0	0	0	0	0	110.8	D1007 D1008 F1029	A1005-D1007 VanDerWaalsContact C-N 3.25Å; A1005-D1007 PolarHBondContact O-N 2.82Å; A1005-D1008 PolarHBondContact N-OD2 3.32Å; A1005-D1008 PolarHBondContact O-N 3.03Å; A1005-F1029 VanDerWaalsContact C-CD1 3.42Å
1006	A	87.4	Confident	90.5	Very high	14 Å²	14	49.1 Å²	49.1	12%	0.116	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63	-36	175.1	0	0	0	0	0	111.6	D1008 F1009 F1029 Q1033 L1037	A1006-D1008 VanDerWaalsContact C-N 3.27Å; A1006-D1008 PolarHBondContact O-N 2.84Å; A1006-F1009 PolarHBondContact O-N 3.08Å; A1006-F1029 HydrophobicContact CB-CB 3.95Å; A1006-F1029 HydrophobicContact CB-CD1 4.34Å; A1006-F1029 HydrophobicContact CB-CG 4.07Å; A1006-Q1033 HydrophobicContact CB-CB 4.41Å; A1006-L1037 HydrophobicContact CB-CD1 4.49Å; A1006-L1037 HydrophobicContact CB-CD2 4.28Å; A1006-L1037 WeakPolarHBondContact O-CD1 3.3Å
1007	D	86.2	Confident	90.3	Very high	133 Å²	133	48.1 Å²	48.1	71%	0.711	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-69.9	-17.8	-177.6	-60.9	-27.2	0	0	0	113.8	A1005 F1009	A1005-D1007 VanDerWaalsContact C-N 3.25Å; A1005-D1007 PolarHBondContact O-N 2.82Å; D1007-F1009 PolarHBondContact O-N 2.97Å
1008	D	86.2	Confident	90.1	Very high	28 Å²	28	53.6 Å²	53.6	15%	0.15	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.2	173.6	-70.1	-60.2	0	0	0	112.7	L1004 A1005 A1006 W1010	L1004-D1008 HydrophobicContact CB-CB 4.43Å; L1004-D1008 HydrophobicContact CD2-CB 4.07Å; A1005-D1008 PolarHBondContact N-OD2 3.32Å; A1005-D1008 PolarHBondContact O-N 3.03Å; A1006-D1008 VanDerWaalsContact C-N 3.27Å; A1006-D1008 PolarHBondContact O-N 2.84Å; D1008-W1010 PolarHBondContact O-N 2.67Å
1009	F	84.7	Confident	90	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	25%	0.249	C	C	.	.	S	Bend	trans	-88.8	76	175.4	-70.4	-91.5	0	0	0	110.6	I984 V999 L1004 A1006 D1007 R1011 L1022 V1024 F1029 F1034 L1037	I984-F1009 HydrophobicContact CD1-CE1 4.25Å; I984-F1009 HydrophobicContact CD1-CZ 4.28Å; V999-F1009 HydrophobicContact CG2-CE1 4.22Å; V999-F1009 HydrophobicContact CG2-CZ 3.81Å; L1004-F1009 HydrophobicContact CB-CE2 4.18Å; L1004-F1009 HydrophobicContact CD1-CE2 3.99Å; L1004-F1009 HydrophobicContact CD1-CZ 3.88Å; A1006-F1009 PolarHBondContact O-N 3.08Å; D1007-F1009 PolarHBondContact O-N 2.97Å; F1009-R1011 PolarHBondContact O-N 2.64Å; F1009-L1022 HydrophobicContact CE1-CD2 4.31Å; F1009-V1024 HydrophobicContact CE1-CG1 3.64Å; F1009-V1024 HydrophobicContact CZ-CB 4.13Å; F1009-V1024 HydrophobicContact CZ-CG1 3.57Å; F1009-F1029 HydrophobicContact CD2-CE1 4.18Å; F1009-F1029 HydrophobicContact CD2-CZ 4.19Å; F1009-F1029 AromaticContact CE2-CE1 3.63Å; F1009-F1029 HydrophobicContact CE2-CE1 3.63Å; F1009-F1029 AromaticContact CE2-CZ 3.63Å; F1009-F1029 HydrophobicContact CE2-CZ 3.63Å; F1009-F1029 HydrophobicContact CZ-CZ 4.31Å; F1009-F1034 HydrophobicContact CB-CE2 4.19Å; F1009-F1034 AromaticContact CD1-CE2 3.85Å; F1009-F1034 HydrophobicContact CD1-CE2 3.85Å; F1009-F1034 HydrophobicContact CD1-CZ 4.45Å; F1009-F1034 HydrophobicContact CD2-CD2 4.44Å; F1009-F1034 HydrophobicContact CD2-CE2 4.05Å; F1009-F1034 HydrophobicContact CE1-CE2 4.22Å; F1009-F1034 HydrophobicContact CE2-CE2 4.42Å; F1009-F1034 HydrophobicContact CG-CD2 4.49Å; F1009-F1034 AromaticContact CG-CE2 3.75Å; F1009-F1034 HydrophobicContact CG-CE2 3.75Å; F1009-F1034 HydrophobicContact CZ-CE2 4.49Å; F1009-L1037 HydrophobicContact CB-CD1 4.01Å
1010	W	80.2	Confident	89.8	Confident	111 Å²	111	50.7 Å²	50.7	42%	0.42	25%	0.252	S	S	.	.			trans	-45.7	140	178.2	-51.4	101	0	0	0	112.8	I984 E986 D1008 K1012 I1013	I984-W1010 PolarHBondContact O-NE1 3.45Å; E986-W1010 VanDerWaalsContact CA-CD1 3.47Å; E986-W1010 HydrophobicContact CB-CD2 4.31Å; E986-W1010 HydrophobicContact CB-CG 3.95Å; E986-W1010 HydrophobicContact CG-CB 3.93Å; E986-W1010 HydrophobicContact CG-CD2 4.45Å; E986-W1010 HydrophobicContact CG-CG 3.88Å; D1008-W1010 PolarHBondContact O-N 2.67Å; W1010-K1012 PolarHBondContact O-N 2.93Å; W1010-I1013 HydrophobicContact CB-CD1 4.34Å; W1010-I1013 HydrophobicContact CB-CG1 4.33Å; W1010-I1013 WeakPolarHBondContact O-CA 3.34Å; W1010-I1013 VanDerWaalsContact O-CB 3.3Å; W1010-I1013 WeakPolarHBondContact O-CB 3.3Å; W1010-I1013 PolarHBondContact O-N 3.49Å
1011	R	84.1	Confident	89.8	Confident	160 Å²	160	50.7 Å²	50.7	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-46.2	-40.9	177.7	177.1	174.8	165.6	165.6	-7.8	113.2	F1009 I1013 L1014 S1015 D1038	F1009-R1011 PolarHBondContact O-N 2.64Å; R1011-I1013 VanDerWaalsContact C-N 3.29Å; R1011-I1013 PolarHBondContact O-N 3.31Å; R1011-L1014 CarbonylContact O-C 3.16Å; R1011-L1014 PolarHBondContact O-N 3.44Å; R1011-S1015 PolarHBondContact O-N 3.19Å; R1011-S1015 PolarHBondContact O-OG 2.98Å; R1011-S1015 VanDerWaalsContact O-OG 3.1Å; R1011-D1038 HydrophobicContact CG-CB 4.37Å; R1011-D1038 IonicContact NH1-OD2 3.44Å; R1011-D1038 PolarHBondContact NH1-OD2 3.07Å
1012	K	88.6	Confident	89.9	Confident	87 Å²	87	46.1 Å²	46.1	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-34.9	177.2	-65.1	-162.3	-176.3	98.9	0	113.6	E986 A989 W1010 L1014 D1016 S1017	E986-K1012 HydrophobicContact CG-CB 4.37Å; E986-K1012 HydrophobicContact CG-CD 4.17Å; E986-K1012 HydrophobicContact CG-CG 4.44Å; E986-K1012 WeakPolarHBondContact OE1-CD 3.37Å; E986-K1012 WeakPolarHBondContact OE1-CE 3.15Å; E986-K1012 WeakPolarHBondContact OE1-CG 3.31Å; E986-K1012 IonicContact OE1-NZ 3.57Å; E986-K1012 PolarHBondContact OE1-NZ 3.05Å; E986-K1012 IonicContact OE2-NZ 2.67Å; E986-K1012 PolarHBondContact OE2-NZ 3.26Å; A989-K1012 HydrophobicContact CB-CB 3.77Å; W1010-K1012 PolarHBondContact O-N 2.93Å; K1012-L1014 VanDerWaalsContact C-N 3.31Å; K1012-L1014 PolarHBondContact O-N 3.06Å; K1012-D1016 PolarHBondContact O-N 3.33Å; K1012-S1017 PolarHBondContact O-N 2.97Å; K1012-S1017 VanDerWaalsContact O-N 3.08Å
1013	I	91.2	Very high	89.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-41.7	175.8	-61.2	176.7	0	0	0	109.6	I984 I988 A989 W1010 R1011 S1017 I1019 L1022 R1046	I984-I1013 HydrophobicContact CG2-CD1 3.97Å; I988-I1013 HydrophobicContact CG2-CD1 3.46Å; I988-I1013 VanDerWaalsContact CG2-CD1 3.46Å; I988-I1013 HydrophobicContact CG2-CG1 3.72Å; A989-I1013 HydrophobicContact CB-CG1 4.13Å; W1010-I1013 HydrophobicContact CB-CD1 4.34Å; W1010-I1013 HydrophobicContact CB-CG1 4.33Å; W1010-I1013 WeakPolarHBondContact O-CA 3.34Å; W1010-I1013 VanDerWaalsContact O-CB 3.3Å; W1010-I1013 WeakPolarHBondContact O-CB 3.3Å; W1010-I1013 PolarHBondContact O-N 3.49Å; R1011-I1013 VanDerWaalsContact C-N 3.29Å; R1011-I1013 PolarHBondContact O-N 3.31Å; I1013-S1017 WeakPolarHBondContact O-CB 3.5Å; I1013-S1017 PolarHBondContact O-OG 2.83Å; I1013-I1019 HydrophobicContact CG2-CD1 4.25Å; I1013-L1022 HydrophobicContact CG2-CD1 4.41Å; I1013-R1046 PolarHBondContact O-NH2 3.17Å
1014	L	91.7	Very high	89.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-81.1	-41.9	-178.4	-59.3	180	0	0	0	112.9	R1011 K1012 L1022 F1034 L1037 G1039 Y1043 R1046	R1011-L1014 CarbonylContact O-C 3.16Å; R1011-L1014 PolarHBondContact O-N 3.44Å; K1012-L1014 VanDerWaalsContact C-N 3.31Å; K1012-L1014 PolarHBondContact O-N 3.06Å; L1014-L1022 HydrophobicContact CD2-CD1 3.76Å; L1014-F1034 HydrophobicContact CD2-CZ 4.11Å; L1014-L1037 HydrophobicContact CD1-CB 3.61Å; L1014-L1037 HydrophobicContact CD1-CD1 4.01Å; L1014-L1037 HydrophobicContact CD1-CG 4.47Å; L1014-G1039 CarbonylContact C-O 3.54Å; L1014-Y1043 HydrophobicContact CD2-CG 4.41Å; L1014-Y1043 PolarHBondContact O-N 3.35Å; L1014-R1046 VanDerWaalsContact O-CZ 3.26Å; L1014-R1046 PolarHBondContact O-NH1 2.78Å; L1014-R1046 PolarHBondContact O-NH2 3.24Å
1015	S	89.1	Confident	89.7	Confident	26 Å²	26	49.2 Å²	49.2	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-85.7	-46.8	-177.4	65.1	0	0	0	0	114.5	R1011 R1046	R1011-S1015 PolarHBondContact O-N 3.19Å; R1011-S1015 PolarHBondContact O-OG 2.98Å; R1011-S1015 VanDerWaalsContact O-OG 3.1Å; S1015-R1046 PolarHBondContact O-NH1 3.06Å; S1015-R1046 VanDerWaalsContact O-NH1 3.07Å
1016	D	89.3	Confident	89.3	Confident	105 Å²	105	50 Å²	50	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-20.9	-159.4	-51.3	-20.7	0	0	0	113.5	K1012	K1012-D1016 PolarHBondContact O-N 3.33Å
1017	S	92.6	Very high	89.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.253	C	S	.	.	S	Bend	trans	-70.7	160.8	-175.3	85.1	0	0	0	0	114.3	A989 K1012 I1013 I1019 R1046	A989-S1017 WeakPolarHBondContact O-CA 3.28Å; A989-S1017 WeakPolarHBondContact O-CB 3.13Å; K1012-S1017 PolarHBondContact O-N 2.97Å; K1012-S1017 VanDerWaalsContact O-N 3.08Å; I1013-S1017 WeakPolarHBondContact O-CB 3.5Å; I1013-S1017 PolarHBondContact O-OG 2.83Å; S1017-I1019 PolarHBondContact O-N 2.84Å; S1017-I1019 WeakPolarHBondContact OG-CB 3.49Å; S1017-I1019 PolarHBondContact OG-N 3.17Å; S1017-R1046 VanDerWaalsContact O-CZ 3.27Å; S1017-R1046 PolarHBondContact O-NE 2.9Å
1018	Q	91.4	Very high	89.8	Confident	114 Å²	114	49.9 Å²	49.9	53%	0.533	25%	0.251	S	S	.	.	S	Bend	trans	-80.4	-0.6	171.4	-61.4	-55.4	-64.5	0	0	113.6	L994 S1020	L994-Q1018 CarbonylContact O-C 3.21Å; L994-Q1018 VanDerWaalsContact O-C 3.27Å; Q1018-S1020 PolarHBondContact O-N 3.13Å
1019	I	94.1	Very high	90	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.249	C	C	.	.			trans	-70	123.5	-178.6	-53.1	172.6	0	0	0	108.5	L994 L997 I1013 S1017 L1021 L1022 R1046	L994-I1019 HydrophobicContact CD2-CD1 4Å; L994-I1019 HydrophobicContact CD2-CG1 4.26Å; L994-I1019 HydrophobicContact CG-CD1 4.44Å; L994-I1019 HydrophobicContact CG-CG1 4.18Å; L994-I1019 PolarHBondContact O-N 3.28Å; L997-I1019 HydrophobicContact CB-CD1 4.23Å; L997-I1019 HydrophobicContact CB-CG2 4.18Å; L997-I1019 HydrophobicContact CD2-CD1 4.12Å; I1013-I1019 HydrophobicContact CG2-CD1 4.25Å; S1017-I1019 PolarHBondContact O-N 2.84Å; S1017-I1019 WeakPolarHBondContact OG-CB 3.49Å; S1017-I1019 PolarHBondContact OG-N 3.17Å; I1019-L1021 WeakPolarHBondContact CG2-O 3.2Å; I1019-L1022 HydrophobicContact CG2-CD2 4.01Å; I1019-L1022 HydrophobicContact CG2-CG 3.8Å; I1019-R1046 PolarHBondContact O-NE 3.23Å; I1019-R1046 PolarHBondContact O-NH2 2.87Å
1020	S	92.6	Very high	90.2	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.063	27%	0.266	C	S	.	.			trans	-119.5	-4.4	179.1	68.1	0	0	0	0	113.7	K995 Q1018 F1047 T1050	K995-S1020 PolarHBondContact O-N 3.08Å; Q1018-S1020 PolarHBondContact O-N 3.13Å; S1020-F1047 WeakPolarHBondContact O-CA 3.43Å; S1020-F1047 WeakPolarHBondContact O-CB 3.28Å; S1020-F1047 VanDerWaalsContact O-CD2 3.28Å; S1020-F1047 WeakPolarHBondContact O-CD2 3.36Å; S1020-T1050 WeakPolarHBondContact CB-OG1 3.4Å; S1020-T1050 PolarHBondContact OG-OG1 3.1Å
1021	L	93.5	Very high	90.7	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.277	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	112.5	165.1	-162.7	159.9	0	0	0	109.2	K995 V996 L997 I1019 A1023 F1047	K995-L1021 PolarHBondContact O-N 3.01Å; V996-L1021 WeakPolarHBondContact CA-O 3.17Å; V996-L1021 HydrophobicContact CB-CB 4.49Å; V996-L1021 HydrophobicContact CG1-CB 4.25Å; V996-L1021 HydrophobicContact CG1-CD2 4.1Å; V996-L1021 HydrophobicContact CG2-CB 4.13Å; L997-L1021 PolarHBondContact N-O 3.36Å; I1019-L1021 WeakPolarHBondContact CG2-O 3.2Å; L1021-A1023 HydrophobicContact CD2-CB 4.1Å; L1021-F1047 HydrophobicContact CG-CE2 4.31Å
1022	L	93.8	Very high	90.9	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.073	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117	168.5	-78.3	162.5	0	0	0	108.1	L997 F1009 I1013 L1014 I1019 V1024 F1034 Y1043	L997-L1022 HydrophobicContact CB-CD2 4.02Å; L997-L1022 HydrophobicContact CD2-CD2 3.89Å; L997-L1022 HydrophobicContact CG-CD2 4.25Å; L997-L1022 WeakPolarHBondContact O-CA 3.47Å; F1009-L1022 HydrophobicContact CE1-CD2 4.31Å; I1013-L1022 HydrophobicContact CG2-CD1 4.41Å; L1014-L1022 HydrophobicContact CD2-CD1 3.76Å; I1019-L1022 HydrophobicContact CG2-CD2 4.01Å; I1019-L1022 HydrophobicContact CG2-CG 3.8Å; L1022-V1024 HydrophobicContact CB-CG1 4.05Å; L1022-F1034 HydrophobicContact CD1-CZ 4.34Å; L1022-Y1043 HydrophobicContact CB-CE1 4.49Å; L1022-Y1043 HydrophobicContact CB-CE2 4.03Å; L1022-Y1043 HydrophobicContact CD1-CD2 3.87Å; L1022-Y1043 HydrophobicContact CD1-CE2 3.85Å; L1022-Y1043 HydrophobicContact CD1-CG 4.25Å; L1022-Y1043 HydrophobicContact CG-CD2 4.5Å; L1022-Y1043 HydrophobicContact CG-CE2 4.02Å; L1022-Y1043 PolarHBondContact N-OH 3.33Å
1023	A	92.5	Very high	90.9	Very high	11 Å²	11	52 Å²	52	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.4	170.8	0	0	0	0	0	107.8	L997 R998 V999 E1000 L1021	L997-A1023 PolarHBondContact O-N 3.07Å; R998-A1023 HydrophobicContact CB-CB 4.11Å; R998-A1023 HydrophobicContact CG-CB 4.19Å; V999-A1023 PolarHBondContact N-O 2.81Å; E1000-A1023 VanDerWaalsContact CD-CB 3.47Å; E1000-A1023 VanDerWaalsContact CG-C 3.44Å; E1000-A1023 HydrophobicContact CG-CB 3.65Å; E1000-A1023 PolarHBondContact N-O 3.42Å; L1021-A1023 HydrophobicContact CD2-CB 4.1Å
1024	V	93.5	Very high	90.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	27%	0.268	C	S	.	.			trans	-135.3	4.8	-164.3	-56.2	0	0	0	0	114	V999 F1009 L1022 N1027 F1029 M1031 F1034	V999-V1024 HydrophobicContact CG2-CB 4.49Å; V999-V1024 HydrophobicContact CG2-CG1 3.92Å; F1009-V1024 HydrophobicContact CE1-CG1 3.64Å; F1009-V1024 HydrophobicContact CZ-CB 4.13Å; F1009-V1024 HydrophobicContact CZ-CG1 3.57Å; L1022-V1024 HydrophobicContact CB-CG1 4.05Å; V1024-N1027 PolarHBondContact O-ND2 2.98Å; V1024-F1029 HydrophobicContact CB-CZ 4.08Å; V1024-F1029 HydrophobicContact CG2-CE2 4.12Å; V1024-F1029 HydrophobicContact CG2-CZ 4.16Å; V1024-M1031 HydrophobicContact CG2-SD 3.98Å; V1024-F1034 HydrophobicContact CG1-CE2 4.37Å; V1024-F1034 HydrophobicContact CG1-CZ 4.21Å; V1024-F1034 HydrophobicContact CG2-CD1 4.16Å; V1024-F1034 HydrophobicContact CG2-CD2 4.31Å; V1024-F1034 HydrophobicContact CG2-CE1 4.04Å; V1024-F1034 HydrophobicContact CG2-CE2 4.19Å; V1024-F1034 HydrophobicContact CG2-CG 4.31Å; V1024-F1034 HydrophobicContact CG2-CZ 4.06Å
1025	E	89.2	Confident	90.7	Very high	118 Å²	118	59.2 Å²	59.2	55%	0.551	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	145.5	-176.5	-60.4	-169.2	173.2	0	0	111.4	E1000 E1001 M1031	E1000-E1025 CarbonylContact C-O 3.01Å; E1000-E1025 WeakPolarHBondContact CA-O 3.39Å; E1000-E1025 WeakPolarHBondContact CB-O 3.48Å; E1001-E1025 PolarHBondContact N-O 3.08Å; E1025-M1031 HydrophobicContact CG-CE 4.39Å; E1025-M1031 HydrophobicContact CG-SD 4.35Å
1026	G	84.3	Confident	90.8	Very high	55 Å²	55	65.4 Å²	65.4	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	23.3	-179.1	0	0	0	0	0	115.7	E1001 N1002	E1001-G1026 WeakPolarHBondContact CA-O 3.44Å; N1002-G1026 PolarHBondContact N-O 2.87Å
1027	N	92.5	Very high	90.9	Very high	18 Å²	18	61.8 Å²	61.8	10%	0.096	30%	0.302	C	S	.	.	S	Bend	trans	-95.4	-174.3	169.1	-80.8	-76.9	0	0	0	111.9	V999 N1002 C1003 L1004 V1024 F1029	V999-N1027 PolarHBondContact O-ND2 2.91Å; N1002-N1027 WeakPolarHBondContact CA-OD1 3.38Å; N1002-N1027 WeakPolarHBondContact CB-OD1 3.46Å; N1002-N1027 PolarHBondContact O-OD1 3.32Å; C1003-N1027 PolarHBondContact N-OD1 2.98Å; L1004-N1027 HydrophobicContact CB-CB 4.34Å; L1004-N1027 WeakPolarHBondContact CB-OD1 3.44Å; L1004-N1027 PolarHBondContact N-OD1 2.79Å; L1004-N1027 VanDerWaalsContact N-OD1 3.08Å; V1024-N1027 PolarHBondContact O-ND2 2.98Å; N1027-F1029 HydrophobicContact CB-CD1 3.8Å; N1027-F1029 HydrophobicContact CB-CE1 3.36Å; N1027-F1029 HydrophobicContact CB-CZ 3.9Å; N1027-F1029 PolarHBondContact O-N 3.19Å
1028	L	90.9	Very high	90.7	Very high	127 Å²	127	67 Å²	67	67%	0.665	33%	0.33	S	S	*	.	S	Bend	trans	-78.4	24.8	-177.6	-54.1	179.2	0	0	0	114.1	C1003 L1004	C1003-L1028 HydrophobicContact CB-CD1 4.42Å; C1003-L1028 WeakPolarHBondContact O-CD1 3.41Å; L1004-L1028 WeakPolarHBondContact O-CA 3.37Å; L1004-L1028 VanDerWaalsContact O-CB 3.29Å; L1004-L1028 WeakPolarHBondContact O-CB 3.15Å; L1004-L1028 PolarHBondContact O-N 3.13Å
1029	F	90.9	Very high	90.6	Very high	24 Å²	24	62.1 Å²	62.1	11%	0.105	31%	0.31	C	S	.	.	S	Bend	trans	-143.6	157.7	178.2	58.7	-91.9	0	0	0	111.1	L1004 A1005 A1006 F1009 V1024 N1027 Q1033 F1034	L1004-F1029 HydrophobicContact CB-CE1 4.41Å; L1004-F1029 WeakPolarHBondContact O-CD1 3.37Å; A1005-F1029 VanDerWaalsContact C-CD1 3.42Å; A1006-F1029 HydrophobicContact CB-CB 3.95Å; A1006-F1029 HydrophobicContact CB-CD1 4.34Å; A1006-F1029 HydrophobicContact CB-CG 4.07Å; F1009-F1029 HydrophobicContact CD2-CE1 4.18Å; F1009-F1029 HydrophobicContact CD2-CZ 4.19Å; F1009-F1029 AromaticContact CE2-CE1 3.63Å; F1009-F1029 HydrophobicContact CE2-CE1 3.63Å; F1009-F1029 AromaticContact CE2-CZ 3.63Å; F1009-F1029 HydrophobicContact CE2-CZ 3.63Å; F1009-F1029 HydrophobicContact CZ-CZ 4.31Å; V1024-F1029 HydrophobicContact CB-CZ 4.08Å; V1024-F1029 HydrophobicContact CG2-CE2 4.12Å; V1024-F1029 HydrophobicContact CG2-CZ 4.16Å; N1027-F1029 HydrophobicContact CB-CD1 3.8Å; N1027-F1029 HydrophobicContact CB-CE1 3.36Å; N1027-F1029 HydrophobicContact CB-CZ 3.9Å; N1027-F1029 PolarHBondContact O-N 3.19Å; F1029-Q1033 HydrophobicContact CB-CB 4.41Å; F1029-F1034 HydrophobicContact CD2-CB 3.89Å; F1029-F1034 HydrophobicContact CD2-CD2 4.43Å; F1029-F1034 HydrophobicContact CE2-CB 3.69Å; F1029-F1034 AromaticContact CE2-CD2 3.62Å; F1029-F1034 HydrophobicContact CE2-CD2 3.62Å; F1029-F1034 AromaticContact CE2-CG 3.87Å; F1029-F1034 HydrophobicContact CE2-CG 3.87Å; F1029-F1034 AromaticContact CZ-CD2 3.94Å; F1029-F1034 HydrophobicContact CZ-CD2 3.94Å
1030	D	88.2	Confident	90.5	Very high	71 Å²	71	64.1 Å²	64.1	38%	0.38	32%	0.317	S	S	.	.			trans	-90.2	160.7	172.5	88.7	8.5	0	0	0	112.8	R1032 Q1033 F1034	D1030-R1032 PolarHBondContact O-N 3.31Å; D1030-R1032 VanDerWaalsContact OD1-CA 3.3Å; D1030-R1032 WeakPolarHBondContact OD1-CA 3.48Å; D1030-R1032 WeakPolarHBondContact OD1-CB 3.1Å; D1030-R1032 PolarHBondContact OD1-N 3.5Å; D1030-Q1033 PolarHBondContact O-N 3.48Å; D1030-Q1033 PolarHBondContact OD1-N 3.22Å; D1030-F1034 PolarHBondContact O-N 3.04Å
1031	M	90	Very high	90.3	Very high	62 Å²	62	70.8 Å²	70.8	31%	0.305	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	4.9	179.7	-72.2	-67.4	-85	0	0	114.1	V1024 E1025 F1034 R1035	V1024-M1031 HydrophobicContact CG2-SD 3.98Å; E1025-M1031 HydrophobicContact CG-CE 4.39Å; E1025-M1031 HydrophobicContact CG-SD 4.35Å; M1031-F1034 HydrophobicContact SD-CD1 4.46Å; M1031-R1035 WeakPolarHBondContact O-CD 3.44Å; M1031-R1035 WeakPolarHBondContact O-CG 3.45Å; M1031-R1035 PolarHBondContact O-NE 2.92Å
1032	R	88.5	Confident	90.3	Very high	182 Å²	182	72.4 Å²	72.4	69%	0.687	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-50.3	165.9	-49.4	-178.6	-165.3	172.1	8.5	109.6	D1030 F1034 R1035 E1036	D1030-R1032 PolarHBondContact O-N 3.31Å; D1030-R1032 VanDerWaalsContact OD1-CA 3.3Å; D1030-R1032 WeakPolarHBondContact OD1-CA 3.48Å; D1030-R1032 WeakPolarHBondContact OD1-CB 3.1Å; D1030-R1032 PolarHBondContact OD1-N 3.5Å; R1032-F1034 PolarHBondContact O-N 3.46Å; R1032-R1035 WeakPolarHBondContact O-CA 3.29Å; R1032-R1035 WeakPolarHBondContact O-CB 3.41Å; R1032-R1035 PolarHBondContact O-N 3.25Å; R1032-E1036 PolarHBondContact O-N 3.24Å; R1032-E1036 VanDerWaalsContact O-N 3.14Å
1033	Q	88.9	Confident	90.3	Very high	96 Å²	96	72.3 Å²	72.3	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-51.9	-45.1	175.8	-64.8	174.6	-68.8	0	0	111	A1006 F1029 D1030 R1035 E1036 L1037	A1006-Q1033 HydrophobicContact CB-CB 4.41Å; F1029-Q1033 HydrophobicContact CB-CB 4.41Å; D1030-Q1033 PolarHBondContact O-N 3.48Å; D1030-Q1033 PolarHBondContact OD1-N 3.22Å; Q1033-R1035 VanDerWaalsContact C-N 3.28Å; Q1033-R1035 PolarHBondContact O-N 2.84Å; Q1033-E1036 PolarHBondContact O-N 3.1Å; Q1033-E1036 VanDerWaalsContact O-N 3.14Å; Q1033-L1037 PolarHBondContact O-N 2.79Å
1034	F	89.2	Confident	90.3	Very high	4 Å²	4	75 Å²	75	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-29.4	176.9	-169.4	-105	0	0	0	114.5	F1009 L1014 L1022 V1024 F1029 D1030 M1031 R1032 L1037 Y1040	F1009-F1034 HydrophobicContact CB-CE2 4.19Å; F1009-F1034 AromaticContact CD1-CE2 3.85Å; F1009-F1034 HydrophobicContact CD1-CE2 3.85Å; F1009-F1034 HydrophobicContact CD1-CZ 4.45Å; F1009-F1034 HydrophobicContact CD2-CD2 4.44Å; F1009-F1034 HydrophobicContact CD2-CE2 4.05Å; F1009-F1034 HydrophobicContact CE1-CE2 4.22Å; F1009-F1034 HydrophobicContact CE2-CE2 4.42Å; F1009-F1034 HydrophobicContact CG-CD2 4.49Å; F1009-F1034 AromaticContact CG-CE2 3.75Å; F1009-F1034 HydrophobicContact CG-CE2 3.75Å; F1009-F1034 HydrophobicContact CZ-CE2 4.49Å; L1014-F1034 HydrophobicContact CD2-CZ 4.11Å; L1022-F1034 HydrophobicContact CD1-CZ 4.34Å; V1024-F1034 HydrophobicContact CG1-CE2 4.37Å; V1024-F1034 HydrophobicContact CG1-CZ 4.21Å; V1024-F1034 HydrophobicContact CG2-CD1 4.16Å; V1024-F1034 HydrophobicContact CG2-CD2 4.31Å; V1024-F1034 HydrophobicContact CG2-CE1 4.04Å; V1024-F1034 HydrophobicContact CG2-CE2 4.19Å; V1024-F1034 HydrophobicContact CG2-CG 4.31Å; V1024-F1034 HydrophobicContact CG2-CZ 4.06Å; F1029-F1034 HydrophobicContact CD2-CB 3.89Å; F1029-F1034 HydrophobicContact CD2-CD2 4.43Å; F1029-F1034 HydrophobicContact CE2-CB 3.69Å; F1029-F1034 AromaticContact CE2-CD2 3.62Å; F1029-F1034 HydrophobicContact CE2-CD2 3.62Å; F1029-F1034 AromaticContact CE2-CG 3.87Å; F1029-F1034 HydrophobicContact CE2-CG 3.87Å; F1029-F1034 AromaticContact CZ-CD2 3.94Å; F1029-F1034 HydrophobicContact CZ-CD2 3.94Å; D1030-F1034 PolarHBondContact O-N 3.04Å; M1031-F1034 HydrophobicContact SD-CD1 4.46Å; R1032-F1034 PolarHBondContact O-N 3.46Å; F1034-L1037 HydrophobicContact CD2-CD1 3.67Å; F1034-L1037 HydrophobicContact CE2-CD1 4.06Å; F1034-L1037 HydrophobicContact CG-CD1 4.4Å; F1034-Y1040 AromaticContact CD1-CD2 3.99Å; F1034-Y1040 HydrophobicContact CD1-CD2 3.99Å; F1034-Y1040 AromaticContact CD1-CE2 3.72Å; F1034-Y1040 HydrophobicContact CD1-CE2 3.72Å; F1034-Y1040 AromaticContact CE1-CD2 3.97Å; F1034-Y1040 HydrophobicContact CE1-CD2 3.97Å; F1034-Y1040 AromaticContact CE1-CE2 3.76Å; F1034-Y1040 HydrophobicContact CE1-CE2 3.76Å; F1034-Y1040 VanDerWaalsContact O-CD2 3.28Å; F1034-Y1040 WeakPolarHBondContact O-CD2 3.39Å
1035	R	90	Very high	90.2	Very high	149 Å²	149	81.6 Å²	81.6	56%	0.562	40%	0.395	S	S	*	.	H	α-helix	trans	-81	-18.7	177.6	-67.4	171.8	-168.4	-177.7	6	113.1	M1031 R1032 Q1033 L1037 Y1040	M1031-R1035 WeakPolarHBondContact O-CD 3.44Å; M1031-R1035 WeakPolarHBondContact O-CG 3.45Å; M1031-R1035 PolarHBondContact O-NE 2.92Å; R1032-R1035 WeakPolarHBondContact O-CA 3.29Å; R1032-R1035 WeakPolarHBondContact O-CB 3.41Å; R1032-R1035 PolarHBondContact O-N 3.25Å; Q1033-R1035 VanDerWaalsContact C-N 3.28Å; Q1033-R1035 PolarHBondContact O-N 2.84Å; R1035-L1037 VanDerWaalsContact C-N 3.35Å; R1035-Y1040 HydrophobicContact CB-CD1 4.4Å; R1035-Y1040 HydrophobicContact CB-CE1 4.27Å; R1035-Y1040 HydrophobicContact CG-CE1 3.98Å; R1035-Y1040 HydrophobicContact CG-CE2 4.04Å
1036	E	90.8	Very high	90.4	Very high	156 Å²	156	78.2 Å²	78.2	73%	0.729	38%	0.377	S	S	*	.	H	α-helix	trans	-86.5	-8	177.8	-69.3	170.8	-176.2	0	0	112.1	R1032 Q1033	R1032-E1036 PolarHBondContact O-N 3.24Å; R1032-E1036 VanDerWaalsContact O-N 3.14Å; Q1033-E1036 PolarHBondContact O-N 3.1Å; Q1033-E1036 VanDerWaalsContact O-N 3.14Å
1037	L	91.2	Very high	90.7	Very high	30 Å²	30	78 Å²	78	16%	0.157	36%	0.361	C	S	.	.	S	Bend	trans	-66.2	137	177.4	-67.6	175.4	0	0	0	113.5	A1006 F1009 L1014 Q1033 F1034 R1035 G1039 Y1040	A1006-L1037 HydrophobicContact CB-CD1 4.49Å; A1006-L1037 HydrophobicContact CB-CD2 4.28Å; A1006-L1037 WeakPolarHBondContact O-CD1 3.3Å; F1009-L1037 HydrophobicContact CB-CD1 4.01Å; L1014-L1037 HydrophobicContact CD1-CB 3.61Å; L1014-L1037 HydrophobicContact CD1-CD1 4.01Å; L1014-L1037 HydrophobicContact CD1-CG 4.47Å; Q1033-L1037 PolarHBondContact O-N 2.79Å; F1034-L1037 HydrophobicContact CD2-CD1 3.67Å; F1034-L1037 HydrophobicContact CE2-CD1 4.06Å; F1034-L1037 HydrophobicContact CG-CD1 4.4Å; R1035-L1037 VanDerWaalsContact C-N 3.35Å; L1037-G1039 PolarHBondContact O-N 2.83Å; L1037-Y1040 VanDerWaalsContact O-CB 3.28Å; L1037-Y1040 WeakPolarHBondContact O-CB 3.2Å; L1037-Y1040 PolarHBondContact O-N 2.8Å
1038	D	88	Confident	90.5	Very high	111 Å²	111	79.8 Å²	79.8	59%	0.594	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	119.9	173	-103.8	5.9	0	0	0	111.3	R1011	R1011-D1038 HydrophobicContact CG-CB 4.37Å; R1011-D1038 IonicContact NH1-OD2 3.44Å; R1011-D1038 PolarHBondContact NH1-OD2 3.07Å
1039	G	89.8	Confident	90.3	Very high	11 Å²	11	76.2 Å²	76.2	11%	0.113	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-9.2	-177	0	0	0	0	0	114.9	L1014 L1037 Q1041 Q1042 Y1043	L1014-G1039 CarbonylContact C-O 3.54Å; L1037-G1039 PolarHBondContact O-N 2.83Å; G1039-Q1041 VanDerWaalsContact C-N 3.26Å; G1039-Q1041 PolarHBondContact O-N 3.17Å; G1039-Q1042 VanDerWaalsContact CA-OE1 3.26Å; G1039-Q1042 PolarHBondContact O-N 3.45Å; G1039-Q1042 PolarHBondContact O-OE1 3.22Å; G1039-Y1043 PolarHBondContact O-N 2.86Å
1040	Y	91.8	Very high	90	Very high	42 Å²	42	77.4 Å²	77.4	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-58.4	-34.5	-177.4	-179.4	-90	0	0	0	113.3	F1034 R1035 L1037 Y1043 M1044	F1034-Y1040 AromaticContact CD1-CD2 3.99Å; F1034-Y1040 HydrophobicContact CD1-CD2 3.99Å; F1034-Y1040 AromaticContact CD1-CE2 3.72Å; F1034-Y1040 HydrophobicContact CD1-CE2 3.72Å; F1034-Y1040 AromaticContact CE1-CD2 3.97Å; F1034-Y1040 HydrophobicContact CE1-CD2 3.97Å; F1034-Y1040 AromaticContact CE1-CE2 3.76Å; F1034-Y1040 HydrophobicContact CE1-CE2 3.76Å; F1034-Y1040 VanDerWaalsContact O-CD2 3.28Å; F1034-Y1040 WeakPolarHBondContact O-CD2 3.39Å; R1035-Y1040 HydrophobicContact CB-CD1 4.4Å; R1035-Y1040 HydrophobicContact CB-CE1 4.27Å; R1035-Y1040 HydrophobicContact CG-CE1 3.98Å; R1035-Y1040 HydrophobicContact CG-CE2 4.04Å; L1037-Y1040 VanDerWaalsContact O-CB 3.28Å; L1037-Y1040 WeakPolarHBondContact O-CB 3.2Å; L1037-Y1040 PolarHBondContact O-N 2.8Å; Y1040-Y1043 HydrophobicContact CD2-CD1 4.23Å; Y1040-Y1043 HydrophobicContact CE2-CD1 4.12Å; Y1040-Y1043 HydrophobicContact CE2-CE1 4.36Å; Y1040-Y1043 PolarHBondContact O-N 3.44Å; Y1040-M1044 HydrophobicContact CE1-CB 4.2Å; Y1040-M1044 HydrophobicContact CE1-CG 4.46Å; Y1040-M1044 WeakPolarHBondContact O-CB 3.08Å; Y1040-M1044 PolarHBondContact O-N 3.26Å
1041	Q	89.9	Confident	89.6	Confident	149 Å²	149	80 Å²	80	70%	0.696	38%	0.378	S	S	*	.	H	α-helix	trans	-63.3	-45.5	177.4	-68.6	-171.4	-0.3	0	0	112.1	G1039 Y1043 M1044 E1045	G1039-Q1041 VanDerWaalsContact C-N 3.26Å; G1039-Q1041 PolarHBondContact O-N 3.17Å; Q1041-Y1043 VanDerWaalsContact C-N 3.34Å; Q1041-Y1043 PolarHBondContact O-N 3.48Å; Q1041-M1044 PolarHBondContact O-N 2.99Å; Q1041-M1044 VanDerWaalsContact O-N 3.1Å; Q1041-E1045 PolarHBondContact O-N 3.31Å
1042	Q	92.5	Very high	88.9	Confident	88 Å²	88	84.7 Å²	84.7	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-41.8	177.3	-67.8	79.3	-2.1	0	0	111.1	G1039 E1045 R1046	G1039-Q1042 VanDerWaalsContact CA-OE1 3.26Å; G1039-Q1042 PolarHBondContact O-N 3.45Å; G1039-Q1042 PolarHBondContact O-OE1 3.22Å; Q1042-E1045 PolarHBondContact O-N 3.09Å; Q1042-R1046 PolarHBondContact O-N 3.09Å; Q1042-R1046 PolarHBondContact O-NH1 2.99Å
1043	Y	93.8	Very high	88.2	Confident	11 Å²	11	84.8 Å²	84.8	4%	0.043	40%	0.402	C	S	.	.	H	α-helix	trans	-59.6	-46.8	170.8	164	-110.1	0	0	0	111.9	L1014 L1022 G1039 Y1040 Q1041 E1045 R1046 F1047	L1014-Y1043 HydrophobicContact CD2-CG 4.41Å; L1014-Y1043 PolarHBondContact O-N 3.35Å; L1022-Y1043 HydrophobicContact CB-CE1 4.49Å; L1022-Y1043 HydrophobicContact CB-CE2 4.03Å; L1022-Y1043 HydrophobicContact CD1-CD2 3.87Å; L1022-Y1043 HydrophobicContact CD1-CE2 3.85Å; L1022-Y1043 HydrophobicContact CD1-CG 4.25Å; L1022-Y1043 HydrophobicContact CG-CD2 4.5Å; L1022-Y1043 HydrophobicContact CG-CE2 4.02Å; L1022-Y1043 PolarHBondContact N-OH 3.33Å; G1039-Y1043 PolarHBondContact O-N 2.86Å; Y1040-Y1043 HydrophobicContact CD2-CD1 4.23Å; Y1040-Y1043 HydrophobicContact CE2-CD1 4.12Å; Y1040-Y1043 HydrophobicContact CE2-CE1 4.36Å; Y1040-Y1043 PolarHBondContact O-N 3.44Å; Q1041-Y1043 VanDerWaalsContact C-N 3.34Å; Q1041-Y1043 PolarHBondContact O-N 3.48Å; Y1043-E1045 VanDerWaalsContact C-N 3.3Å; Y1043-E1045 PolarHBondContact O-N 2.87Å; Y1043-R1046 PolarHBondContact O-N 2.93Å; Y1043-R1046 VanDerWaalsContact O-N 3.09Å; Y1043-F1047 HydrophobicContact CE2-CB 4.23Å; Y1043-F1047 PolarHBondContact O-N 3.46Å
1044	M	91.9	Very high	86.5	Confident	69 Å²	69	87 Å²	87	34%	0.34	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-32.2	-177.4	-166.9	63.4	-159.1	0	0	112.8	Y1040 Q1041 F1047 T1048	Y1040-M1044 HydrophobicContact CE1-CB 4.2Å; Y1040-M1044 HydrophobicContact CE1-CG 4.46Å; Y1040-M1044 WeakPolarHBondContact O-CB 3.08Å; Y1040-M1044 PolarHBondContact O-N 3.26Å; Q1041-M1044 PolarHBondContact O-N 2.99Å; Q1041-M1044 VanDerWaalsContact O-N 3.1Å; M1044-F1047 HydrophobicContact CE-CD1 3.7Å; M1044-F1047 HydrophobicContact CE-CE1 4.06Å; M1044-F1047 HydrophobicContact SD-CD1 4.01Å; M1044-T1048 VanDerWaalsContact O-CB 3.3Å; M1044-T1048 WeakPolarHBondContact O-CB 3.42Å; M1044-T1048 PolarHBondContact O-N 3.29Å; M1044-T1048 PolarHBondContact O-OG1 3.24Å
1045	E	91.5	Very high	84.2	Confident	140 Å²	140	95 Å²	95	65%	0.654	47%	0.465	S	S	*	.	H	α-helix	trans	-62.2	-49.3	169.1	-72.4	-179.1	175.9	0	0	111.4	Q1041 Q1042 Y1043 F1047 T1048 A1049	Q1041-E1045 PolarHBondContact O-N 3.31Å; Q1042-E1045 PolarHBondContact O-N 3.09Å; Y1043-E1045 VanDerWaalsContact C-N 3.3Å; Y1043-E1045 PolarHBondContact O-N 2.87Å; E1045-F1047 PolarHBondContact O-N 3.48Å; E1045-T1048 PolarHBondContact O-N 2.89Å; E1045-A1049 VanDerWaalsContact O-CB 3.29Å; E1045-A1049 WeakPolarHBondContact O-CB 3.28Å; E1045-A1049 PolarHBondContact O-N 3.07Å
1046	R	93.4	Very high	83.9	Confident	47 Å²	47	92.4 Å²	92.4	18%	0.177	46%	0.461	C	S	.	.	H	α-helix	trans	-61	-42.4	176.8	-65.3	-166.9	-53.7	-85.7	3.9	112.3	I1013 L1014 S1015 S1017 I1019 Q1042 Y1043 T1050	I1013-R1046 PolarHBondContact O-NH2 3.17Å; L1014-R1046 VanDerWaalsContact O-CZ 3.26Å; L1014-R1046 PolarHBondContact O-NH1 2.78Å; L1014-R1046 PolarHBondContact O-NH2 3.24Å; S1015-R1046 PolarHBondContact O-NH1 3.06Å; S1015-R1046 VanDerWaalsContact O-NH1 3.07Å; S1017-R1046 VanDerWaalsContact O-CZ 3.27Å; S1017-R1046 PolarHBondContact O-NE 2.9Å; I1019-R1046 PolarHBondContact O-NE 3.23Å; I1019-R1046 PolarHBondContact O-NH2 2.87Å; Q1042-R1046 PolarHBondContact O-N 3.09Å; Q1042-R1046 PolarHBondContact O-NH1 2.99Å; Y1043-R1046 PolarHBondContact O-N 2.93Å; Y1043-R1046 VanDerWaalsContact O-N 3.09Å; R1046-T1050 WeakPolarHBondContact O-CB 3.28Å; R1046-T1050 PolarHBondContact O-N 3.45Å; R1046-T1050 PolarHBondContact O-OG1 2.74Å
1047	F	90.8	Very high	83.6	Confident	52 Å²	52	89 Å²	89	23%	0.228	45%	0.447	C	S	.	.	H	α-helix	trans	-61.4	-48.8	175.4	175.1	-93.3	0	0	0	111.5	S1020 L1021 Y1043 M1044 E1045 A1049 T1050 K1051	S1020-F1047 WeakPolarHBondContact O-CA 3.43Å; S1020-F1047 WeakPolarHBondContact O-CB 3.28Å; S1020-F1047 VanDerWaalsContact O-CD2 3.28Å; S1020-F1047 WeakPolarHBondContact O-CD2 3.36Å; L1021-F1047 HydrophobicContact CG-CE2 4.31Å; Y1043-F1047 HydrophobicContact CE2-CB 4.23Å; Y1043-F1047 PolarHBondContact O-N 3.46Å; M1044-F1047 HydrophobicContact CE-CD1 3.7Å; M1044-F1047 HydrophobicContact CE-CE1 4.06Å; M1044-F1047 HydrophobicContact SD-CD1 4.01Å; E1045-F1047 PolarHBondContact O-N 3.48Å; F1047-A1049 PolarHBondContact O-N 3.14Å; F1047-T1050 PolarHBondContact O-N 3.14Å; F1047-K1051 HydrophobicContact CE1-CD 4.04Å; F1047-K1051 HydrophobicContact CZ-CD 4.23Å; F1047-K1051 WeakPolarHBondContact O-CB 3.18Å; F1047-K1051 PolarHBondContact O-N 3.24Å
1048	T	88.4	Confident	83.2	Confident	55 Å²	55	92.3 Å²	92.3	34%	0.337	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-41.1	-179.8	-55.6	0	0	0	0	111.9	M1044 E1045 T1050 K1051 K1052	M1044-T1048 VanDerWaalsContact O-CB 3.3Å; M1044-T1048 WeakPolarHBondContact O-CB 3.42Å; M1044-T1048 PolarHBondContact O-N 3.29Å; M1044-T1048 PolarHBondContact O-OG1 3.24Å; E1045-T1048 PolarHBondContact O-N 2.89Å; T1048-T1050 VanDerWaalsContact C-N 3.3Å; T1048-T1050 PolarHBondContact O-N 3.39Å; T1048-K1051 PolarHBondContact O-N 3.44Å; T1048-K1052 WeakPolarHBondContact O-CG 3.46Å; T1048-K1052 PolarHBondContact O-N 3.22Å; T1048-K1052 VanDerWaalsContact O-N 3.09Å
1049	A	86.9	Confident	82.9	Confident	52 Å²	52	91.2 Å²	91.2	43%	0.43	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-33.2	175.7	0	0	0	0	0	112.7	E1045 F1047	E1045-A1049 VanDerWaalsContact O-CB 3.29Å; E1045-A1049 WeakPolarHBondContact O-CB 3.28Å; E1045-A1049 PolarHBondContact O-N 3.07Å; F1047-A1049 PolarHBondContact O-N 3.14Å
1050	T	84.5	Confident	82.4	Confident	49 Å²	49	96.2 Å²	96.2	30%	0.301	48%	0.476	S	S	.	.	H	α-helix	trans	-76.6	-43.6	175.9	-56.9	0	0	0	0	111.4	S1020 R1046 F1047 T1048 K1052 K1053 L1054	S1020-T1050 WeakPolarHBondContact CB-OG1 3.4Å; S1020-T1050 PolarHBondContact OG-OG1 3.1Å; R1046-T1050 WeakPolarHBondContact O-CB 3.28Å; R1046-T1050 PolarHBondContact O-N 3.45Å; R1046-T1050 PolarHBondContact O-OG1 2.74Å; F1047-T1050 PolarHBondContact O-N 3.14Å; T1048-T1050 VanDerWaalsContact C-N 3.3Å; T1048-T1050 PolarHBondContact O-N 3.39Å; T1050-K1052 VanDerWaalsContact C-N 3.27Å; T1050-K1052 PolarHBondContact O-N 2.95Å; T1050-K1053 WeakPolarHBondContact O-CB 3.3Å; T1050-K1053 PolarHBondContact O-N 2.89Å; T1050-L1054 HydrophobicContact CG2-CD1 4.18Å
1051	K	79.6	Confident	81.8	Confident	124 Å²	124	99.8 Å²	99.8	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-37	177.8	-168.7	172.4	-176.9	175.4	0	112.2	F1047 T1048 K1053 L1054	F1047-K1051 HydrophobicContact CE1-CD 4.04Å; F1047-K1051 HydrophobicContact CZ-CD 4.23Å; F1047-K1051 WeakPolarHBondContact O-CB 3.18Å; F1047-K1051 PolarHBondContact O-N 3.24Å; T1048-K1051 PolarHBondContact O-N 3.44Å; K1051-K1053 PolarHBondContact O-N 3.17Å; K1051-L1054 PolarHBondContact O-N 3.17Å
1052	K	76.3	Confident	81.2	Confident	161 Å²	161	96.3 Å²	96.3	70%	0.7	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.2	172.6	-76	-179.5	178.3	-180	0	115.4	T1048 T1050	T1048-K1052 WeakPolarHBondContact O-CG 3.46Å; T1048-K1052 PolarHBondContact O-N 3.22Å; T1048-K1052 VanDerWaalsContact O-N 3.09Å; T1050-K1052 VanDerWaalsContact C-N 3.27Å; T1050-K1052 PolarHBondContact O-N 2.95Å
1053	K	72.5	Confident	80.4	Confident	184 Å²	184	96.9 Å²	96.9	80%	0.8	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-5	175.1	-67.4	178.3	179.6	178.9	0	113.3	T1050 K1051	T1050-K1053 WeakPolarHBondContact O-CB 3.3Å; T1050-K1053 PolarHBondContact O-N 2.89Å; K1051-K1053 PolarHBondContact O-N 3.17Å
1054	L	54.1	Low	79.3	Confident	142 Å²	142	104.1 Å²	104.1	74%	0.743	53%	0.525	S	S	*	.			trans	-108	-2.8	-178.3	-77.1	162.5	0	0	0	112.8	T1050 K1051	T1050-L1054 HydrophobicContact CG2-CD1 4.18Å; K1051-L1054 PolarHBondContact O-N 3.17Å
1055	V	41.2	Very low	78.1	Confident	174 Å²	174	107.3 Å²	107.3	100%	1.055	54%	0.542	S	S	*	.			trans	-118.5	0	174.4	-175.4	0	0	0	0	107.7

Retrieved 1,055 of 1,055 residues in 2572.6 ms (Link to these results)

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