A0A3Q0KVE8_SCHMA Loading...

[histone H3]-lysine(36) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KVE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,065 aa.

						>A0A3Q0KVE8_SCHMA|A0A3Q0KVE8
MEVQPADSYFMESESNAELDTVCPRNIEVDNAQSCPGVPDLFSHVSSEPSYINESSQHLDLQGVQKMCEVTDGIQSQPARDLDVLDIQCSEIIEHVDGTPLTVVSTQDIRPCELKYDLRKRKIKPHIPMCFLSNTLNPYERLSDYDVDLSSIFSSYPGAPTPQYTHLLNNDYSLLSSTRSSIPSKTTYSGSGKLLGATGLRASSLHYEMRQWICDCVAPTPVELNLGILSCGPGCINRALNIECGLHCAAGDFCSNRQFQMRLYAPTRPFYAGKDKGWGLMATDNVKKGSFVIEYVGEVIDFSEFRRRIRRYERLGHAHHYFMAVESDRFIDAGSKGNWARFVNHSCEPNCVTQKWSVNGEIRIGFFAKEDIPSGQEVTIDYQFVQYGVSEQKCYCGASTCSGIMGATSKYLQEKVRMKDTTMVERRILQLLQLDSFRNADDITLLLQVMVQECLTRYTRLQLLNRLIKTENDACLKLFRQYNGLDMLAAFMCDAAPKDWELKKQILVCLKHIPVSEQKQVQSNSRLMEIVAQWTSDPHHCRARSIPPESWKSIDLHIADTSNVTLAGFSTDELPTESNFDSDETKSLSKSTKDNESSSIQTGDKNSDFAASPSSSDSFSSSLKENASCVLHASTLPVYEEGCNTITQTSDCDMSPVTLVDDGNGEVEIGYAADDNELNMDAELCEGKTNEEWIEEIKALACELLEKWSKLPKENYRIPRLERQETEKMLHISNPIGSSLISWGSEYKDDQAMSNKSWTQNTSCKFQSNKTLRDKLVSSFVREQSGPKASNSSSCLSKAERRMLFEAQVKANENQCSSENSVPTSDEFLQKKPSNAEKDTDHLRQLLLCALLSECGRNNTALSNLLSNIAVELKSMPVVSTLLQALPRMLSLMSSSNDSDLVTRLCKELKRYADDDLNSLPAGWKSAADSTGRLYYYNKETNSVQWEKPLIDVNEKDDKNTLTEEQYEQMKKQFTREVGNYILRLLKPYRLPNCLTGRIDSNEDFLHITKKLTHSFVSKELKRSSIASPPTFSNGLQERIRSSVTRYMTSRGPVYRRKTKINNPR
					

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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	32.6	Very low	35.5	Very low	216 Å²	216	151.8 Å²	151.8	100%	1.064	79%	0.788	S	S	*	*				0	58.3	0	-43.3	-169.5	99.2	0	0	108.2
2	E	30.8	Very low	35	Very low	172 Å²	172	154 Å²	154	80%	0.804	79%	0.791	S	S	*	*				75.2	144.4	66	-68.7	149.6	119.5	0	0	112.6
3	V	35.2	Very low	35.1	Very low	124 Å²	124	151.5 Å²	151.5	75%	0.752	80%	0.796	S	S	*	*			cis	169.8	107.8	-32.2	142	0	0	0	0	104.7
4	Q	33.8	Very low	34.8	Very low	181 Å²	181	154.5 Å²	154.5	85%	0.846	80%	0.804	S	S	*	*			trans	51	-158.6	149.7	-58.4	-155.9	-37.5	0	0	118.7
5	P	45.8	Very low	34.9	Very low	107 Å²	107	152.1 Å²	152.1	70%	0.695	81%	0.806	S	S	*	*				-138	-175.3	-90.8	44.7	-28.7	0	0	0	117
6	A	37.5	Very low	34.7	Very low	81 Å²	81	153.1 Å²	153.1	67%	0.669	81%	0.811	S	S	*	*			trans	66.7	147.1	145.7	0	0	0	0	0	121.7
7	D	36.6	Very low	34.8	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	81%	0.808	S	S	*	*				172.9	175.9	118.3	-89.2	-7	0	0	0	113.8
8	S	33.2	Very low	34.8	Very low	91 Å²	91	151.9 Å²	151.9	64%	0.636	81%	0.813	S	S	*	*			trans	-151.4	171.5	-161.2	63.1	0	0	0	0	115.8
9	Y	35.7	Very low	34.6	Very low	221 Å²	221	152 Å²	152	87%	0.867	81%	0.813	S	S	*	*			trans	-154.8	150.4	178.7	-91.5	-82.8	0	0	0	109.2
10	F	35.4	Very low	34.5	Very low	158 Å²	158	152.3 Å²	152.3	69%	0.693	82%	0.815	S	S	*	*			cis	75.3	129.7	16.2	-59.7	-65.3	0	0	0	116
11	M	33.6	Very low	34.4	Very low	156 Å²	156	150.7 Å²	150.7	77%	0.768	81%	0.811	S	S	*	*			cis	-143.6	163.7	-0.1	-93.1	150.1	172.3	0	0	107.8
12	E	30.1	Very low	34.5	Very low	178 Å²	178	147 Å²	147	83%	0.832	80%	0.799	S	S	*	*			cis	86.6	113.1	28.9	-151.8	177.7	-102.8	0	0	115.5
13	S	35.9	Very low	34.4	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	80%	0.8	S	S	*	*			trans	-174.5	138.5	167.3	60.7	0	0	0	0	113
14	E	31	Very low	34.6	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	80%	0.798	S	S	*	*			trans	-117.9	162.9	178.5	-55.7	-179.8	127.3	0	0	113.2
15	S	36.5	Very low	34.7	Very low	119 Å²	119	146 Å²	146	83%	0.832	80%	0.798	S	S	*	*			trans	-166.1	141.7	158	60.8	0	0	0	0	113.5
16	N	30.8	Very low	33.9	Very low	168 Å²	168	148 Å²	148	90%	0.898	80%	0.803	S	S	*	*			trans	-108.5	149.9	178.7	-68.3	-67	0	0	0	113.4
17	A	37.6	Very low	33.8	Very low	92 Å²	92	152.4 Å²	152.4	76%	0.76	81%	0.814	S	S	*	*			trans	-169.9	112.7	156.1	0	0	0	0	0	107.7
18	E	34.3	Very low	33.7	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	81%	0.811	S	S	*	*				89.5	159.9	81.5	-80.9	-162	146	0	0	114.7
19	L	31.3	Very low	33.8	Very low	154 Å²	154	154.2 Å²	154.2	81%	0.806	82%	0.815	S	S	*	*			trans	-85.5	156.5	-159.4	-61.3	87.1	0	0	0	114
20	D	32.7	Very low	33.8	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	82%	0.815	S	S	*	*			trans	-151	160.4	131.2	-140.7	-25.8	0	0	0	112.5
21	T	31	Very low	33.8	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	82%	0.818	S	S	*	*			trans	-133.8	115.6	-170	-57.8	0	0	0	0	113.2
22	V	36.1	Very low	34	Very low	137 Å²	137	147.4 Å²	147.4	83%	0.83	82%	0.816	S	S	*	*			trans	-142.1	137.1	172.9	-174.6	0	0	0	0	111.8
23	C	28.5	Very low	34.3	Very low	122 Å²	122	148 Å²	148	82%	0.824	82%	0.819	S	S	*	*			trans	-152.3	130.4	172.1	179.3	0	0	0	0	111.3
24	P	39.6	Very low	34.4	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	81%	0.814	S	S	*	*			trans	-136.3	116.4	167.1	34.7	-17	0	0	0	116
25	R	34.7	Very low	34.6	Very low	227 Å²	227	143.7 Å²	143.7	86%	0.857	81%	0.808	S	S	*	*			trans	51.9	118	132.2	-62.3	-180	178.5	173.6	-0.4	122.3
26	N	30.3	Very low	34.8	Very low	150 Å²	150	144.1 Å²	144.1	80%	0.802	81%	0.808	S	S	*	*				46.2	125.1	122.9	-53.1	16.5	0	0	0	121.8
27	I	35.7	Very low	35.1	Very low	173 Å²	173	139.4 Å²	139.4	89%	0.887	80%	0.799	S	S	*	*			trans	-133	155.3	141.8	-66.2	-173.9	0	0	0	108.2
28	E	34.6	Very low	35.2	Very low	173 Å²	173	141.6 Å²	141.6	81%	0.808	80%	0.803	S	S	*	*			trans	-90	138.5	-163.8	-66.9	165.4	131.5	0	0	113.4
29	V	33.6	Very low	35.4	Very low	119 Å²	119	137.8 Å²	137.8	72%	0.721	80%	0.795	S	S	*	*				61	124.5	96.6	-172.7	0	0	0	0	115.9
30	D	37.1	Very low	35.6	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	79%	0.792	S	S	*	*			trans	-144.7	158.6	147.4	-144.8	-21.4	0	0	0	110.5
31	N	35.1	Very low	35.7	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	78%	0.78	S	S	*	*			trans	-135.4	140.3	-156.1	-106.8	-48.8	0	0	0	115.7
32	A	36.9	Very low	35.9	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	78%	0.782	S	S	*	*			trans	-160.7	109.9	156.7	0	0	0	0	0	114.9
33	Q	37.9	Very low	35.7	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	77%	0.771	S	S	*	*			trans	19.5	146.8	134.6	-66.1	157.1	-17.7	0	0	120.3
34	S	37.1	Very low	35.8	Very low	106 Å²	106	138 Å²	138	74%	0.741	77%	0.771	S	S	*	*			cis	-170.1	-171	-5.5	59.6	0	0	0	0	107.5
35	C	35.3	Very low	35.5	Very low	117 Å²	117	138.8 Å²	138.8	79%	0.791	77%	0.774	S	S	*	*			cis	-157.3	175.5	8.9	-127.8	0	0	0	0	108.7
36	P	41.1	Very low	35.3	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	77%	0.767	S	S	*	*			trans	-132.5	-177.7	-146.7	46.2	-34.5	0	0	0	119.5
37	G	36.8	Very low	35.4	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	77%	0.767	S	S	*	*			trans	141.4	142.3	162.9	0	0	0	0	0	112.5
38	V	38.7	Very low	35.2	Very low	138 Å²	138	131.6 Å²	131.6	84%	0.836	77%	0.765	S	S	*	*			cis	-149.9	148.6	6.8	173.7	0	0	0	0	108.6
39	P	39.2	Very low	35.3	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	76%	0.761	S	S	*	*			trans	-95.3	-170.4	-175.6	43.1	-40.2	0	0	0	112.7
40	D	34.5	Very low	35.1	Very low	140 Å²	140	127.5 Å²	127.5	75%	0.749	76%	0.758	S	S	*	*			cis	-144.5	-137.4	8.2	-152	-17.9	0	0	0	109.4
41	L	36.2	Very low	34.9	Very low	112 Å²	112	130 Å²	130	59%	0.586	76%	0.757	S	S	*	*			cis	-163	133.3	7.1	-167.3	63.1	0	0	0	112.7
42	F	35.1	Very low	34.7	Very low	177 Å²	177	130 Å²	130	78%	0.776	76%	0.756	S	S	*	*			trans	58.2	155.4	158.2	-67	-26.4	0	0	0	122.2
43	S	31.8	Very low	34.4	Very low	84 Å²	84	132.4 Å²	132.4	59%	0.587	76%	0.756	S	S	*	*			cis	-173.6	148.1	-26.3	59.2	0	0	0	0	113.1
44	H	31.3	Very low	34.2	Very low	182 Å²	182	130.2 Å²	130.2	84%	0.843	75%	0.746	S	S	*	*			trans	52.9	151.5	146.2	-71.2	-57.3	0	0	0	121.5
45	V	32.8	Very low	33.8	Very low	124 Å²	124	130 Å²	130	75%	0.752	74%	0.744	S	S	*	*			cis	-141.2	161.2	11.9	-178	0	0	0	0	110.9
46	S	29.1	Very low	33.8	Very low	101 Å²	101	129 Å²	129	71%	0.706	74%	0.739	S	S	*	*			trans	-31.8	168.3	162.7	-38.9	0	0	0	0	118.7
47	S	33.9	Very low	33.4	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	74%	0.739	S	S	*	*			cis	-162.8	165.5	33.4	-39.5	0	0	0	0	115.1
48	E	30.4	Very low	33.1	Very low	183 Å²	183	135.9 Å²	135.9	86%	0.855	74%	0.741	S	S	*	*			trans	-86.6	-169.8	164.3	-53.6	-171.5	124.2	0	0	111.4
49	P	36.2	Very low	32.8	Very low	110 Å²	110	137 Å²	137	71%	0.714	74%	0.742	S	S	*	*			cis	-144.4	-177.7	3.8	45.1	-24.5	0	0	0	119.6
50	S	30	Very low	32.3	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	74%	0.739	S	S	*	*			trans	-22.6	149.8	165.6	60.9	0	0	0	0	123.4
51	Y	32.9	Very low	32.3	Very low	218 Å²	218	136.9 Å²	136.9	86%	0.855	73%	0.734	S	S	*	*			trans	-152.6	117.6	138.5	-91.6	-81.7	0	0	0	109.6
52	I	32.1	Very low	32	Very low	139 Å²	139	139.8 Å²	139.8	71%	0.713	75%	0.745	S	S	*	*				76.5	95.6	91.4	-63.2	-172.4	0	0	0	117.2
53	N	29.8	Very low	31.9	Very low	138 Å²	138	135 Å²	135	74%	0.738	75%	0.745	S	S	*	*				71	162.7	116.8	-141	29.5	0	0	0	125.3
54	E	32.7	Very low	31.8	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	75%	0.751	S	S	*	*			trans	89.1	83.6	154.9	-85.7	151.9	-114.9	0	0	123.7
55	S	30.2	Very low	31.7	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	75%	0.745	S	S	*	*				36.5	135.3	119.1	62.1	0	0	0	0	123.8
56	S	34.1	Very low	31.7	Very low	98 Å²	98	136.7 Å²	136.7	69%	0.685	74%	0.741	S	S	*	*				-174.9	138.3	116.8	-87.3	0	0	0	0	116.7
57	Q	33.4	Very low	31.7	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	74%	0.744	S	S	*	*			trans	51.5	116.1	134.6	-59.3	176	20.5	0	0	119.7
58	H	30	Very low	31.3	Very low	161 Å²	161	139.1 Å²	139.1	75%	0.745	74%	0.741	S	S	*	*				91.2	114	60.4	174.2	-67.2	0	0	0	114.1
59	L	32.2	Very low	31.2	Very low	163 Å²	163	138.6 Å²	138.6	85%	0.853	74%	0.739	S	S	*	*			trans	-166.6	165.7	143	-106.5	163.6	0	0	0	111
60	D	30.2	Very low	31	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	74%	0.738	S	S	*	*			trans	-146.7	-177.1	-156.9	-176	21.8	0	0	0	111.3
61	L	34.9	Very low	31.1	Very low	122 Å²	122	139.3 Å²	139.3	64%	0.639	74%	0.737	S	S	*	*			trans	106.5	98.1	157.6	-58.9	159.4	0	0	0	120
62	Q	29.2	Very low	30.9	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.813	74%	0.738	S	S	*	*				50.4	132.6	117.3	-60.7	178	20.9	0	0	123.2
63	G	32.4	Very low	30.9	Very low	75 Å²	75	133.3 Å²	133.3	77%	0.773	74%	0.738	S	S	*	*			trans	154.8	105.9	157.8	0	0	0	0	0	112.7
64	V	30.5	Very low	31	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.715	74%	0.739	S	S	*	*			cis	112.3	103.2	24.8	172.8	0	0	0	0	111.9
65	Q	29	Very low	30.9	Very low	154 Å²	154	135.1 Å²	135.1	72%	0.72	75%	0.745	S	S	*	*			trans	68.5	159.9	157.2	-73.6	-179.5	11.4	0	0	117.7
66	K	32.5	Very low	31.1	Very low	154 Å²	154	135.2 Å²	135.2	67%	0.67	75%	0.746	S	S	*	*			cis	-166.3	157.1	12.8	-130.4	161.7	-177.8	146.5	0	112.1
67	M	28.7	Very low	30.9	Very low	156 Å²	156	139.5 Å²	139.5	77%	0.768	76%	0.755	S	S	*	*			trans	66.6	136.5	156.5	-66.2	179.8	-44.1	0	0	117.3
68	C	26.6	Very low	30.9	Very low	110 Å²	110	136.1 Å²	136.1	74%	0.743	75%	0.748	S	S	*	*				69.6	135.1	57.1	-55.4	0	0	0	0	111.5
69	E	27.9	Very low	30.8	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	75%	0.748	S	S	*	*			cis	-168	-179	20	-139.1	165.6	-141	0	0	112.5
70	V	32.4	Very low	30.8	Very low	113 Å²	113	136.5 Å²	136.5	69%	0.685	75%	0.751	S	S	*	*			trans	82.3	100.7	148	166.9	0	0	0	0	122.2
71	T	30.4	Very low	30.7	Very low	109 Å²	109	137.5 Å²	137.5	67%	0.669	76%	0.756	S	S	*	*			trans	68.8	133.4	130.6	67.1	0	0	0	0	126.5
72	D	30.5	Very low	30.5	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	76%	0.763	S	S	*	*			trans	66	130.8	132.7	-58.5	-3.4	0	0	0	123.7
73	G	31.5	Very low	30.6	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	76%	0.758	S	S	*	*			trans	155.7	79.4	144.9	0	0	0	0	0	121.5
74	I	32.1	Very low	30.4	Very low	150 Å²	150	138.9 Å²	138.9	77%	0.769	76%	0.756	S	S	*	*			trans	61.6	106.7	131.6	-62.9	172.1	0	0	0	120.5
75	Q	30.8	Very low	30.5	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	76%	0.764	S	S	*	*			trans	70.1	130.5	134.6	-63.7	176.1	-2.4	0	0	124.8
76	S	33.2	Very low	30.3	Very low	103 Å²	103	141 Å²	141	72%	0.72	77%	0.767	S	S	*	*			trans	87.5	102.3	131.5	66.8	0	0	0	0	123.3
77	Q	30.3	Very low	30.2	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	78%	0.775	S	S	*	*				68.9	156.2	127.5	-71	-85.1	-43.7	0	0	119.8
78	P	33.9	Very low	30	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	78%	0.779	S	S	*	*			trans	-123.3	-179.1	-135.9	44.7	-36.3	0	0	0	117.6
79	A	27.4	Very low	30.1	Very low	90 Å²	90	143.1 Å²	143.1	74%	0.744	78%	0.782	S	S	*	*			trans	82.7	112	154.7	0	0	0	0	0	119.2
80	R	32.6	Very low	30.2	Very low	243 Å²	243	140 Å²	140	92%	0.917	78%	0.779	S	S	*	*				-164.6	156.3	124	-101.3	155.8	-161.9	-159.1	3	111.1
81	D	28.4	Very low	29.9	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	79%	0.785	S	S	*	*			trans	-70	156.7	-179.8	-41.8	-97.4	0	0	0	112.5
82	L	30.3	Very low	29.8	Very low	150 Å²	150	145.4 Å²	145.4	79%	0.785	79%	0.793	S	S	*	*				177.4	158.9	117.2	-93.5	158.7	0	0	0	113.9
83	D	31.9	Very low	29.7	Very low	130 Å²	130	143.6 Å²	143.6	70%	0.695	78%	0.782	S	S	*	*			trans	61.7	86.2	153.5	-56.9	-23.9	0	0	0	121.7
84	V	28.3	Very low	29.6	Very low	120 Å²	120	149.2 Å²	149.2	73%	0.727	79%	0.79	S	S	*	*				7.6	130.4	120.4	-175.2	0	0	0	0	117.5
85	L	31.5	Very low	29.5	Very low	170 Å²	170	149.2 Å²	149.2	89%	0.89	79%	0.786	S	S	*	*			trans	-133.1	122.9	151.9	-74.5	175	0	0	0	110.5
86	D	24.7	Very low	29.7	Very low	147 Å²	147	148 Å²	148	79%	0.786	79%	0.79	S	S	*	*			trans	-74.4	143.6	170.4	-78.3	-56.5	0	0	0	111.7
87	I	30.8	Very low	29.7	Very low	165 Å²	165	149.6 Å²	149.6	85%	0.846	79%	0.791	S	S	*	*			trans	-134.4	123.1	160.2	-60	-177.2	0	0	0	108.7
88	Q	24.6	Very low	29.9	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	78%	0.78	S	S	*	*			trans	-95.8	133.5	178.7	-58.7	178.4	-67.8	0	0	111.9
89	C	28.6	Very low	29.8	Very low	118 Å²	118	145.6 Å²	145.6	80%	0.797	79%	0.79	S	S	*	*			trans	-142.3	96.3	153.1	-81.1	0	0	0	0	107.3
90	S	29.2	Very low	29.8	Very low	107 Å²	107	147 Å²	147	75%	0.748	79%	0.791	S	S	*	*				75.7	96.3	81.4	70.6	0	0	0	0	112.7
91	E	26.7	Very low	29.5	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	79%	0.789	S	S	*	*			trans	-73.9	150.8	178.7	-59.8	170.3	120.6	0	0	112.6
92	I	28.9	Very low	29.4	Very low	163 Å²	163	142.8 Å²	142.8	84%	0.836	79%	0.791	S	S	*	*			trans	-133.2	119.2	154.7	-59.3	179.8	0	0	0	106.8
93	I	27.8	Very low	29.2	Very low	122 Å²	122	142 Å²	142	63%	0.626	79%	0.793	S	S	*	*			trans	-133	124.6	175.8	-60.6	176.7	0	0	0	107.3
94	E	30.2	Very low	29.1	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	80%	0.796	S	S	*	*			trans	-97.1	137.8	164.6	-68.5	-165.9	137.1	0	0	110
95	H	29.7	Very low	29	Very low	149 Å²	149	141 Å²	141	69%	0.69	80%	0.795	S	S	*	*			trans	-98.1	140.4	-174.8	-103.8	-112.1	0	0	0	112.2	D97	H95-D97 IonicContact ND1-OD1 3.58Å; H95-D97 PolarHBondContact ND1-OD1 2.67Å
96	V	34.4	Very low	28.8	Very low	147 Å²	147	139.1 Å²	139.1	89%	0.891	79%	0.791	S	S	*	*			trans	-139.9	134.8	146.9	-174.8	0	0	0	0	107.9
97	D	33.5	Very low	28.9	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	79%	0.793	S	S	*	*			trans	-93.3	158.3	-158.5	-54.8	-64.4	0	0	0	116.1	H95	H95-D97 IonicContact ND1-OD1 3.58Å; H95-D97 PolarHBondContact ND1-OD1 2.67Å
98	G	33.6	Very low	28.6	Very low	64 Å²	64	140 Å²	140	66%	0.66	79%	0.791	S	S	*	*			trans	-173	71.1	178.3	0	0	0	0	0	117.3
99	T	32.4	Very low	28.8	Very low	147 Å²	147	139.6 Å²	139.6	90%	0.902	79%	0.793	S	S	*	*			trans	67.9	147.4	173.7	23.2	0	0	0	0	118.2
100	P	28.1	Very low	28.6	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	80%	0.796	S	S	*	*			trans	-103.4	150.7	-159.6	38.6	-34.9	0	0	0	116.2
101	L	25.7	Very low	28.5	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	80%	0.803	S	S	*	*			trans	-108.8	131.9	157.9	-83.2	169.3	0	0	0	110	V103	L101-V103 PolarHBondContact O-N 3.09Å
102	T	27.3	Very low	28.5	Very low	133 Å²	133	143.4 Å²	143.4	82%	0.816	80%	0.801	S	S	*	*			trans	-78.8	102.5	-177.8	-41.5	0	0	0	0	111.4	V104	T102-V104 HydrophobicContact CG2-CG2 4.27Å
103	V	25.8	Very low	28.5	Very low	135 Å²	135	142.3 Å²	142.3	82%	0.818	79%	0.793	S	S	*	*			trans	-84.6	135	167.3	-178.5	0	0	0	0	109.3	L101	L101-V103 PolarHBondContact O-N 3.09Å
104	V	28.6	Very low	28.6	Very low	125 Å²	125	143.7 Å²	143.7	76%	0.758	80%	0.801	S	S	*	*			trans	-126.5	138.6	173.4	179	0	0	0	0	109	T102	T102-V104 HydrophobicContact CG2-CG2 4.27Å
105	S	26.2	Very low	28.9	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	78%	0.775	S	S	*	*			trans	-63.3	148.6	-166.4	-167.9	0	0	0	0	114.9
106	T	28.5	Very low	29.2	Very low	130 Å²	130	136.2 Å²	136.2	80%	0.798	76%	0.761	S	S	*	*			trans	-82.4	121.6	169.6	50.3	0	0	0	0	111.7
107	Q	25.6	Very low	29.4	Very low	178 Å²	178	131 Å²	131	83%	0.832	73%	0.728	S	S	*	*			trans	-154.1	144.1	154.9	-109.2	157.2	27.1	0	0	109.2
108	D	24.8	Very low	29.6	Very low	152 Å²	152	126.5 Å²	126.5	81%	0.813	70%	0.704	S	S	*	*			trans	49.9	106	177.6	-63.2	-26.8	0	0	0	119.1
109	I	29.1	Very low	29.7	Very low	174 Å²	174	127.6 Å²	127.6	89%	0.892	69%	0.688	S	S	*	*			trans	-174.4	146.2	130.9	-96.1	151.4	0	0	0	109.4
110	R	24.5	Very low	30	Very low	227 Å²	227	124.6 Å²	124.6	86%	0.857	66%	0.663	S	S	*	*			trans	-71.8	146.4	-176	-60	178.9	-174.2	178.6	0.6	112	C112	R110-C112 PolarHBondContact O-N 3.06Å
111	P	26.5	Very low	30.3	Very low	137 Å²	137	125.8 Å²	125.8	89%	0.89	65%	0.652	S	S	*	*			trans	-66.4	133.1	177.7	28.1	-34.7	0	0	0	111.4
112	C	26.7	Very low	30.4	Very low	114 Å²	114	125.5 Å²	125.5	77%	0.77	64%	0.643	S	S	*	*			trans	-129.2	132	171	-168	0	0	0	0	108.5	R110 L114	R110-C112 PolarHBondContact O-N 3.06Å; C112-L114 PolarHBondContact O-N 3.19Å
113	E	29	Very low	30.5	Very low	139 Å²	139	126 Å²	126	65%	0.65	64%	0.64	S	S	*	*			trans	-74.7	94.8	-161.8	-61.3	177.1	130.3	0	0	113.5	K115 I736	E113-K115 PolarHBondContact O-N 2.82Å; E113-I736 WeakPolarHBondContact OE2-CB 3.45Å; E113-I736 WeakPolarHBondContact OE2-CD1 3.47Å
114	L	30.9	Very low	30.5	Very low	152 Å²	152	128.8 Å²	128.8	80%	0.796	64%	0.641	S	S	*	*			trans	-77.5	112.6	172.2	-89.4	120.7	0	0	0	112.2	C112 Y116	C112-L114 PolarHBondContact O-N 3.19Å; L114-Y116 PolarHBondContact O-N 3.43Å
115	K	36.5	Very low	30.6	Very low	79 Å²	79	128.2 Å²	128.2	34%	0.343	64%	0.64	S	S	.	*			trans	-61.9	123.7	169.8	-70.6	-165.4	177.5	73	0	111.6	E113 D117 K120 I228 I736 G737	E113-K115 PolarHBondContact O-N 2.82Å; K115-D117 PolarHBondContact O-N 2.86Å; K115-K120 PolarHBondContact O-NZ 3.43Å; K115-I228 HydrophobicContact CD-CG1 4.31Å; K115-I736 WeakPolarHBondContact CE-O 3.41Å; K115-I736 PolarHBondContact NZ-O 3.12Å; K115-G737 WeakPolarHBondContact CE-O 3.4Å; K115-G737 PolarHBondContact NZ-O 3.06Å
116	Y	34.6	Very low	30.6	Very low	101 Å²	101	132 Å²	132	40%	0.396	65%	0.645	S	S	.	*			trans	-70.4	120.5	170.5	-159.7	-97.9	0	0	0	108.5	L114 L118 N285 K287	L114-Y116 PolarHBondContact O-N 3.43Å; Y116-L118 HydrophobicContact CD1-CD2 4.4Å; Y116-L118 HydrophobicContact CE1-CD2 3.8Å; Y116-N285 PolarHBondContact OH-O 2.8Å; Y116-K287 HydrophobicContact CD2-CD 3.93Å; Y116-K287 HydrophobicContact CD2-CG 4.09Å; Y116-K287 HydrophobicContact CE2-CG 4.18Å; Y116-K287 HydrophobicContact CG-CD 3.99Å; Y116-K287 HydrophobicContact CG-CG 4.3Å
117	D	39.1	Very low	30.5	Very low	36 Å²	36	133.5 Å²	133.5	19%	0.193	65%	0.647	C	S	.	*			trans	-129.8	114.2	178.2	166	14.9	0	0	0	107	K115 R119 K120 L229	K115-D117 PolarHBondContact O-N 2.86Å; D117-R119 PolarHBondContact O-N 3.34Å; D117-R119 WeakPolarHBondContact OD1-CB 3.25Å; D117-R119 PolarHBondContact OD1-N 3.03Å; D117-K120 HydrophobicContact CB-CD 3.81Å; D117-K120 HydrophobicContact CB-CG 3.98Å; D117-K120 WeakPolarHBondContact O-CB 3.25Å; D117-K120 PolarHBondContact O-N 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.28Å; D117-L229 WeakPolarHBondContact OD1-CD1 3.46Å
118	L	38.1	Very low	30.5	Very low	45 Å²	45	130.2 Å²	130.2	24%	0.236	64%	0.641	C	S	.	*	G	3₁₀ helix	trans	-59.2	-19.1	-176.5	-68.5	165.3	0	0	0	112.5	Y116 L263	Y116-L118 HydrophobicContact CD1-CD2 4.4Å; Y116-L118 HydrophobicContact CE1-CD2 3.8Å; L118-L263 HydrophobicContact CB-CB 4.27Å; L118-L263 HydrophobicContact CD1-CB 4.21Å
119	R	35.1	Very low	30.6	Very low	86 Å²	86	132.1 Å²	132.1	33%	0.325	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-79.4	-13.5	176.4	-56.3	-172.2	-178.4	-178.9	-7.5	114.4	D117 R121 L229 D252 C254 L263	D117-R119 PolarHBondContact O-N 3.34Å; D117-R119 WeakPolarHBondContact OD1-CB 3.25Å; D117-R119 PolarHBondContact OD1-N 3.03Å; R119-R121 PolarHBondContact O-N 2.84Å; R119-L229 HydrophobicContact CG-CD1 4.23Å; R119-D252 VanDerWaalsContact CZ-O 3.29Å; R119-D252 PolarHBondContact NH1-O 3.26Å; R119-D252 PolarHBondContact NH2-O 2.86Å; R119-C254 PolarHBondContact NH2-O 3.11Å; R119-L263 HydrophobicContact CG-CD1 4.49Å
120	K	40.5	Very low	30.3	Very low	85 Å²	85	128.7 Å²	128.7	37%	0.37	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-71.7	4.7	-175.6	-70.5	175.8	-172.9	155.6	0	114.4	K115 D117 K122 G227	K115-K120 PolarHBondContact O-NZ 3.43Å; D117-K120 HydrophobicContact CB-CD 3.81Å; D117-K120 HydrophobicContact CB-CG 3.98Å; D117-K120 WeakPolarHBondContact O-CB 3.25Å; D117-K120 PolarHBondContact O-N 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.28Å; K120-K122 PolarHBondContact O-N 2.9Å; K120-G227 PolarHBondContact NZ-O 2.87Å
121	R	33.1	Very low	30.4	Very low	143 Å²	143	126.8 Å²	126.8	54%	0.54	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	53.5	173.1	-72.3	-169.4	156.8	-148.2	-21.3	114.2	R119 D284	R119-R121 PolarHBondContact O-N 2.84Å; R121-D284 IonicContact CZ-OD2 2.71Å; R121-D284 VanDerWaalsContact NH2-CG 3.34Å; R121-D284 IonicContact NH2-OD1 3.21Å; R121-D284 IonicContact NH2-OD2 3.8Å; R121-D284 PolarHBondContact NH2-OD2 2.99Å
122	K	28.2	Very low	30.5	Very low	161 Å²	161	128.3 Å²	128.3	70%	0.7	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	167	69.7	151.5	-93.8	159.9	-176.5	173	0	112.2	K120	K120-K122 PolarHBondContact O-N 2.9Å
123	I	28.5	Very low	30.4	Very low	145 Å²	145	126.5 Å²	126.5	74%	0.744	62%	0.624	S	S	*	*			trans	-133	103.9	161.9	-56.2	-179.5	0	0	0	109.8
124	K	27.2	Very low	30.2	Very low	193 Å²	193	127.9 Å²	127.9	84%	0.839	64%	0.636	S	S	*	*			trans	-76.8	146.3	153.2	-84.3	-173.8	174.1	-178.4	0	107.9
125	P	29.5	Very low	30.1	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	63%	0.633	S	S	*	*	S	Bend	trans	-67.9	154.2	-176.3	28	-34.9	0	0	0	112.6
126	H	26.3	Very low	29.7	Very low	181 Å²	181	129 Å²	129	84%	0.838	65%	0.651	S	S	*	*			trans	84.6	105.7	-172.3	-63.6	-88	0	0	0	117.2
127	I	27.4	Very low	29.3	Very low	163 Å²	163	128.1 Å²	128.1	84%	0.836	65%	0.653	S	S	*	*				-173.4	145.5	119.4	-94.2	154.7	0	0	0	108.6
128	P	25.9	Very low	28.8	Very low	108 Å²	108	131.3 Å²	131.3	70%	0.701	68%	0.676	S	S	*	*			trans	-77.6	158.7	-178.1	-15.4	31.9	0	0	0	114.8	C130	P128-C130 PolarHBondContact O-N 2.85Å
129	M	25.2	Very low	28.5	Very low	193 Å²	193	135.5 Å²	135.5	95%	0.951	69%	0.689	S	S	*	*			trans	-65.8	107	174.6	-75.5	-95.6	-74.9	0	0	112.6
130	C	24.4	Very low	28.1	Very low	102 Å²	102	138.2 Å²	138.2	69%	0.689	71%	0.706	S	S	*	*			trans	-140.2	133.5	174	-71.8	0	0	0	0	111.2	P128	P128-C130 PolarHBondContact O-N 2.85Å
131	F	26	Very low	27.6	Very low	186 Å²	186	141.4 Å²	141.4	82%	0.816	72%	0.715	S	S	*	*			trans	57.7	105.3	170	-70.6	-81.2	0	0	0	119.3	S133	F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3Å; F131-S133 VanDerWaalsContact O-N 3.07Å
132	L	28.9	Very low	27.6	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	71%	0.71	S	S	*	*			trans	-76.1	77.6	162.9	-75	162.4	0	0	0	111.1
133	S	24.7	Very low	27.8	Very low	75 Å²	75	134.6 Å²	134.6	52%	0.524	70%	0.703	S	S	.	*	S	Bend	trans	-158.1	147.4	159.3	48	0	0	0	0	111.4	F131 T135	F131-S133 VanDerWaalsContact C-N 3.33Å; F131-S133 PolarHBondContact O-N 3Å; F131-S133 VanDerWaalsContact O-N 3.07Å; S133-T135 PolarHBondContact O-N 3.13Å
134	N	25	Very low	28.1	Very low	169 Å²	169	132.5 Å²	132.5	90%	0.904	69%	0.694	S	S	*	*	S	Bend	trans	66.8	11.4	171.6	-57.4	-1	0	0	0	119.2
135	T	28.3	Very low	28.7	Very low	120 Å²	120	130.4 Å²	130.4	74%	0.736	68%	0.681	S	S	*	*			trans	-136.6	24.6	178.7	52	0	0	0	0	116.5	S133	S133-T135 PolarHBondContact O-N 3.13Å
136	L	26.9	Very low	29.3	Very low	135 Å²	135	132.7 Å²	132.7	71%	0.707	69%	0.687	S	S	*	*			trans	-100.3	63.4	169.8	-83.4	169.1	0	0	0	112.4
137	N	26.3	Very low	30.5	Very low	81 Å²	81	126.7 Å²	126.7	43%	0.433	66%	0.663	S	S	.	*			trans	-137.3	79.5	158.9	-166	12.7	0	0	0	113	Y139 E140	N137-Y139 PolarHBondContact O-N 2.87Å; N137-Y139 WeakPolarHBondContact OD1-CB 3.48Å; N137-Y139 PolarHBondContact OD1-N 2.93Å; N137-E140 VanDerWaalsContact ND2-CD 3.28Å; N137-E140 WeakPolarHBondContact ND2-CG 3.49Å; N137-E140 PolarHBondContact ND2-OE1 2.82Å
138	P	30	Very low	32	Very low	104 Å²	104	123.3 Å²	123.3	68%	0.675	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-7.1	175.1	-18.8	33.5	0	0	0	114.7	E140	P138-E140 VanDerWaalsContact C-N 3.35Å
139	Y	30	Very low	34	Very low	133 Å²	133	120.7 Å²	120.7	52%	0.522	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-22.3	-176.9	-91.7	-92.1	0	0	0	113.8	N137 R141 M261	N137-Y139 PolarHBondContact O-N 2.87Å; N137-Y139 WeakPolarHBondContact OD1-CB 3.48Å; N137-Y139 PolarHBondContact OD1-N 2.93Å; Y139-R141 PolarHBondContact O-N 2.86Å; Y139-M261 HydrophobicContact CD2-CE 4.25Å; Y139-M261 HydrophobicContact CE2-CE 3.62Å; Y139-M261 HydrophobicContact CE2-SD 3.7Å; Y139-M261 VanDerWaalsContact CZ-SD 3.59Å; Y139-M261 PolarHBondContact OH-SD 2.95Å
140	E	27.7	Very low	36.1	Very low	143 Å²	143	114.4 Å²	114.4	67%	0.668	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	39.5	178.5	-74.1	169.8	-160.4	0	0	113.2	N137 P138	N137-E140 VanDerWaalsContact ND2-CD 3.28Å; N137-E140 WeakPolarHBondContact ND2-CG 3.49Å; N137-E140 PolarHBondContact ND2-OE1 2.82Å; P138-E140 VanDerWaalsContact C-N 3.35Å
141	R	29	Very low	38.7	Very low	151 Å²	151	112.4 Å²	112.4	57%	0.57	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	27.9	168.7	-130.4	-176.7	-62.8	-141.8	5.9	116.9	Y139 D144	Y139-R141 PolarHBondContact O-N 2.86Å; R141-D144 WeakPolarHBondContact CD-OD2 3.4Å; R141-D144 HydrophobicContact CG-CB 4.22Å; R141-D144 WeakPolarHBondContact CG-OD2 3.45Å
142	L	34.7	Very low	41.4	Very low	81 Å²	81	104.7 Å²	104.7	42%	0.424	56%	0.556	S	S	.	*	S	Bend	trans	-104	0	158.1	-82.3	167.3	0	0	0	112.9	R262	L142-R262 HydrophobicContact CD1-CB 4.28Å
143	S	32.4	Very low	44.2	Very low	81 Å²	81	97.1 Å²	97.1	57%	0.566	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-70	-34.4	162.9	45.7	0	0	0	0	112.4	Y145 D146	S143-Y145 PolarHBondContact O-N 2.95Å; S143-D146 PolarHBondContact O-N 2.64Å
144	D	33.4	Very low	47.1	Very low	101 Å²	101	97.6 Å²	97.6	54%	0.54	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-69.8	9.8	179.8	-59.3	12.2	0	0	0	113.3	R141	R141-D144 WeakPolarHBondContact CD-OD2 3.4Å; R141-D144 HydrophobicContact CG-CB 4.22Å; R141-D144 WeakPolarHBondContact CG-OD2 3.45Å
145	Y	41.4	Very low	50	Low	149 Å²	149	93 Å²	93	58%	0.584	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-110.2	27.4	174.2	-95.1	-85.6	0	0	0	113.2	S143 V147	S143-Y145 PolarHBondContact O-N 2.95Å; Y145-V147 HydrophobicContact CD1-CG2 3.58Å; Y145-V147 HydrophobicContact CE1-CG2 3.87Å; Y145-V147 HydrophobicContact CG-CG2 4.45Å; Y145-V147 PolarHBondContact O-N 3.32Å
146	D	41.2	Very low	52.8	Low	160 Å²	160	90.2 Å²	90.2	86%	0.856	48%	0.477	S	S	*	.			trans	-65	60.2	138.2	-91.4	-22.7	0	0	0	109.7	S143 D148	S143-D146 PolarHBondContact O-N 2.64Å; D146-D148 PolarHBondContact O-N 2.8Å
147	V	50.9	Low	55.3	Low	55 Å²	55	89.7 Å²	89.7	33%	0.333	48%	0.482	S	S	.	.			trans	-67.7	107.4	153.6	173.1	0	0	0	0	104.2	Y145 L149 I152	Y145-V147 HydrophobicContact CD1-CG2 3.58Å; Y145-V147 HydrophobicContact CE1-CG2 3.87Å; Y145-V147 HydrophobicContact CG-CG2 4.45Å; Y145-V147 PolarHBondContact O-N 3.32Å; V147-L149 PolarHBondContact O-N 3.13Å; V147-I152 HydrophobicContact CG1-CD1 3.9Å; V147-I152 HydrophobicContact CG1-CG1 4.23Å
148	D	58.9	Low	58	Low	92 Å²	92	89.5 Å²	89.5	49%	0.492	50%	0.499	S	S	.	.			trans	-46.3	105.3	179.2	170.4	14	0	0	0	109.7	D146 S150 S151	D146-D148 PolarHBondContact O-N 2.8Å; D148-S150 PolarHBondContact O-N 3.5Å; D148-S150 VanDerWaalsContact O-N 3.17Å; D148-S150 WeakPolarHBondContact OD1-CA 3.34Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 3.38Å; D148-S150 PolarHBondContact OD1-OG 3.47Å; D148-S150 PolarHBondContact OD2-OG 3.45Å; D148-S151 WeakPolarHBondContact O-CB 3.5Å; D148-S151 PolarHBondContact O-N 3.3Å; D148-S151 PolarHBondContact O-OG 2.83Å
149	L	68.2	Low	60.8	Low	54 Å²	54	85.3 Å²	85.3	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-27.5	-175.3	-67.9	174.4	0	0	0	110.7	V147 S151 I152 F153 H166 W339	V147-L149 PolarHBondContact O-N 3.13Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; L149-I152 PolarHBondContact O-N 3.23Å; L149-F153 HydrophobicContact CB-CE2 4.1Å; L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 2.72Å; L149-H166 HydrophobicContact CD1-CB 3.83Å; L149-W339 HydrophobicContact CD2-CZ2 4.01Å
150	S	70.3	Confident	63.6	Low	61 Å²	61	83.2 Å²	83.2	43%	0.427	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-33.3	175.3	86	0	0	0	0	111.8	D148 F153 S154	D148-S150 PolarHBondContact O-N 3.5Å; D148-S150 VanDerWaalsContact O-N 3.17Å; D148-S150 WeakPolarHBondContact OD1-CA 3.34Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 3.38Å; D148-S150 PolarHBondContact OD1-OG 3.47Å; D148-S150 PolarHBondContact OD2-OG 3.45Å; S150-F153 PolarHBondContact O-N 2.69Å; S150-S154 WeakPolarHBondContact O-CB 3.35Å; S150-S154 PolarHBondContact O-N 3.17Å; S150-S154 PolarHBondContact O-OG 3.44Å
151	S	78.4	Confident	66.5	Low	59 Å²	59	81 Å²	81	41%	0.413	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-41.6	177.6	74.9	0	0	0	0	112.7	D148 L149 S155	D148-S151 WeakPolarHBondContact O-CB 3.5Å; D148-S151 PolarHBondContact O-N 3.3Å; D148-S151 PolarHBondContact O-OG 2.83Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; S151-S155 PolarHBondContact O-N 3.25Å; S151-S155 VanDerWaalsContact O-N 3.12Å
152	I	83.1	Confident	69.3	Low	24 Å²	24	75 Å²	75	12%	0.123	45%	0.452	C	S	.	.	H	α-helix	trans	-63.7	-49.4	176.4	-61.2	178.6	0	0	0	109.8	V147 L149 S154 S155 P269 W339	V147-I152 HydrophobicContact CG1-CD1 3.9Å; V147-I152 HydrophobicContact CG1-CG1 4.23Å; L149-I152 PolarHBondContact O-N 3.23Å; I152-S154 PolarHBondContact O-N 3.19Å; I152-S155 PolarHBondContact O-N 2.81Å; I152-S155 PolarHBondContact O-OG 2.9Å; I152-P269 HydrophobicContact CG2-CB 4.14Å; I152-P269 HydrophobicContact CG2-CG 4.36Å; I152-W339 HydrophobicContact CD1-CH2 4.22Å; I152-W339 HydrophobicContact CD1-CZ2 3.87Å
153	F	87.7	Confident	71.8	Confident	12 Å²	12	80.1 Å²	80.1	5%	0.053	47%	0.474	C	S	.	.	H	α-helix	trans	-69.6	-34.5	-177.9	-58.1	-50.1	0	0	0	112.3	L149 S150 S155 Y156 T161 P162 Y164 P269 W278 F342	L149-F153 HydrophobicContact CB-CE2 4.1Å; L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 2.72Å; S150-F153 PolarHBondContact O-N 2.69Å; F153-S155 VanDerWaalsContact C-N 3.27Å; F153-S155 PolarHBondContact O-N 3.05Å; F153-Y156 PolarHBondContact O-N 2.93Å; F153-T161 HydrophobicContact CB-CG2 4.19Å; F153-P162 HydrophobicContact CD1-CG 3.79Å; F153-P162 HydrophobicContact CD2-CG 4.02Å; F153-P162 HydrophobicContact CE1-CG 3.49Å; F153-P162 VanDerWaalsContact CE1-CG 3.49Å; F153-P162 HydrophobicContact CE2-CG 3.74Å; F153-P162 HydrophobicContact CG-CG 4.07Å; F153-P162 HydrophobicContact CZ-CG 3.48Å; F153-P162 VanDerWaalsContact CZ-CG 3.48Å; F153-Y164 HydrophobicContact CE2-CE1 4.46Å; F153-Y164 HydrophobicContact CZ-CE1 4.33Å; F153-P269 HydrophobicContact CE1-CB 4.02Å; F153-P269 HydrophobicContact CE1-CG 4.31Å; F153-W278 HydrophobicContact CB-CH2 4.31Å; F153-W278 HydrophobicContact CB-CZ2 4.36Å; F153-W278 HydrophobicContact CD1-CD2 4.35Å; F153-W278 HydrophobicContact CD1-CE3 4.13Å; F153-W278 AromaticContact CD1-CH2 3.64Å; F153-W278 HydrophobicContact CD1-CH2 3.64Å; F153-W278 AromaticContact CD1-CZ2 3.79Å; F153-W278 HydrophobicContact CD1-CZ2 3.79Å; F153-W278 AromaticContact CD1-CZ3 3.79Å; F153-W278 HydrophobicContact CD1-CZ3 3.79Å; F153-W278 HydrophobicContact CE1-CD2 4.48Å; F153-W278 HydrophobicContact CE1-CE3 4.26Å; F153-W278 HydrophobicContact CE1-CZ3 4.3Å; F153-W278 HydrophobicContact CG-CH2 4.46Å; F153-F342 HydrophobicContact CE1-CE2 4.32Å; F153-F342 HydrophobicContact CE1-CZ 4.07Å; F153-F342 HydrophobicContact CZ-CE2 4.12Å; F153-F342 AromaticContact CZ-CZ 3.9Å; F153-F342 HydrophobicContact CZ-CZ 3.9Å
154	S	85.9	Confident	74.6	Confident	85 Å²	85	78 Å²	78	59%	0.594	45%	0.454	S	S	*	.	H	α-helix	trans	-69.5	-20.9	176	-57.6	0	0	0	0	113.6	S150 I152 Y156	S150-S154 WeakPolarHBondContact O-CB 3.35Å; S150-S154 PolarHBondContact O-N 3.17Å; S150-S154 PolarHBondContact O-OG 3.44Å; I152-S154 PolarHBondContact O-N 3.19Å; S154-Y156 PolarHBondContact O-N 2.95Å
155	S	86.5	Confident	77.3	Confident	73 Å²	73	77.1 Å²	77.1	51%	0.51	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8	175.1	73.9	0	0	0	0	114.2	S151 I152 F153 P157	S151-S155 PolarHBondContact O-N 3.25Å; S151-S155 VanDerWaalsContact O-N 3.12Å; I152-S155 PolarHBondContact O-N 2.81Å; I152-S155 PolarHBondContact O-OG 2.9Å; F153-S155 VanDerWaalsContact C-N 3.27Å; F153-S155 PolarHBondContact O-N 3.05Å; S155-P157 VanDerWaalsContact C-CD 3.46Å; S155-P157 WeakPolarHBondContact O-CD 3.3Å
156	Y	86.9	Confident	79.6	Confident	60 Å²	60	73.2 Å²	73.2	24%	0.235	44%	0.439	C	S	.	.	S	Bend	trans	-117.2	72.3	175	-67.1	-88.2	0	0	0	110.7	F153 S154 G158 A159 R268 F270 W278	F153-Y156 PolarHBondContact O-N 2.93Å; S154-Y156 PolarHBondContact O-N 2.95Å; Y156-G158 PolarHBondContact O-N 2.96Å; Y156-A159 VanDerWaalsContact O-CB 3.3Å; Y156-A159 WeakPolarHBondContact O-CB 3.36Å; Y156-A159 PolarHBondContact O-N 2.88Å; Y156-R268 PolarHBondContact OH-NH1 3.03Å; Y156-R268 PolarHBondContact OH-NH2 2.89Å; Y156-F270 HydrophobicContact CE2-CB 4.4Å; Y156-F270 WeakPolarHBondContact OH-CB 3.49Å; Y156-W278 AromaticContact CD2-CH2 3.73Å; Y156-W278 HydrophobicContact CD2-CH2 3.73Å; Y156-W278 AromaticContact CD2-CZ3 3.79Å; Y156-W278 HydrophobicContact CD2-CZ3 3.79Å; Y156-W278 HydrophobicContact CE2-CZ3 4.3Å; Y156-W278 HydrophobicContact CG-CH2 4.03Å; Y156-W278 HydrophobicContact CG-CZ3 4.33Å
157	P	79.4	Confident	81.8	Confident	125 Å²	125	67 Å²	67	81%	0.812	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.5	179.5	24.5	-34	0	0	0	111	S155	S155-P157 VanDerWaalsContact C-CD 3.46Å; S155-P157 WeakPolarHBondContact O-CD 3.3Å
158	G	83.2	Confident	83.4	Confident	77 Å²	77	68.7 Å²	68.7	79%	0.794	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-10	-174	0	0	0	0	0	115.1	Y156	Y156-G158 PolarHBondContact O-N 2.96Å
159	A	88.7	Confident	84.7	Confident	15 Å²	15	67.9 Å²	67.9	12%	0.124	41%	0.408	C	S	.	.	S	Bend	trans	-78.7	139.1	168.1	0	0	0	0	0	110.9	Y156 T161 Y271 W278	Y156-A159 VanDerWaalsContact O-CB 3.3Å; Y156-A159 WeakPolarHBondContact O-CB 3.36Å; Y156-A159 PolarHBondContact O-N 2.88Å; A159-T161 PolarHBondContact O-N 2.87Å; A159-Y271 HydrophobicContact CB-CD1 4.02Å; A159-Y271 HydrophobicContact CB-CD2 3.51Å; A159-Y271 HydrophobicContact CB-CE1 4.33Å; A159-Y271 HydrophobicContact CB-CE2 3.87Å; A159-Y271 HydrophobicContact CB-CG 3.58Å; A159-W278 HydrophobicContact CB-CH2 4.12Å; A159-W278 HydrophobicContact CB-CZ2 3.52Å
160	P	88.2	Confident	85.4	Confident	89 Å²	89	65.8 Å²	65.8	58%	0.578	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67.7	121.9	176.4	-20.3	32.9	0	0	0	112	W278	P160-W278 PolarHBondContact O-NE1 2.96Å
161	T	88.3	Confident	86.1	Confident	97 Å²	97	64.6 Å²	64.6	60%	0.595	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-64.2	122.8	178.4	-48.1	0	0	0	0	111.3	F153 A159 Q163	F153-T161 HydrophobicContact CB-CG2 4.19Å; A159-T161 PolarHBondContact O-N 2.87Å; T161-Q163 PolarHBondContact O-N 2.76Å
162	P	88.1	Confident	86.3	Confident	24 Å²	24	63.7 Å²	63.7	16%	0.156	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-75.2	122.7	-176.4	28.9	-33.3	0	0	0	111.9	F153 Y164 F342	F153-P162 HydrophobicContact CD1-CG 3.79Å; F153-P162 HydrophobicContact CD2-CG 4.02Å; F153-P162 HydrophobicContact CE1-CG 3.49Å; F153-P162 VanDerWaalsContact CE1-CG 3.49Å; F153-P162 HydrophobicContact CE2-CG 3.74Å; F153-P162 HydrophobicContact CG-CG 4.07Å; F153-P162 HydrophobicContact CZ-CG 3.48Å; F153-P162 VanDerWaalsContact CZ-CG 3.48Å; P162-Y164 HydrophobicContact CB-CD1 4.16Å; P162-Y164 HydrophobicContact CB-CE1 4.24Å; P162-Y164 HydrophobicContact CG-CE1 4.2Å; P162-F342 HydrophobicContact CB-CE1 4.02Å; P162-F342 HydrophobicContact CB-CZ 4.15Å; P162-F342 HydrophobicContact CG-CE1 4.07Å; P162-F342 HydrophobicContact CG-CZ 3.88Å
163	Q	87.8	Confident	86.2	Confident	189 Å²	189	64.9 Å²	64.9	88%	0.883	38%	0.384	S	S	*	.			trans	-92.3	107.5	176.4	-64.3	-178.1	-3.6	0	0	110.7	T161	T161-Q163 PolarHBondContact O-N 2.76Å
164	Y	90.4	Very high	85.5	Confident	37 Å²	37	67.8 Å²	67.8	15%	0.145	40%	0.4	C	S	.	.			trans	-161.9	158.8	175.9	71.6	-66.1	0	0	0	110.4	F153 P162 H166 S335 G337 F342	F153-Y164 HydrophobicContact CE2-CE1 4.46Å; F153-Y164 HydrophobicContact CZ-CE1 4.33Å; P162-Y164 HydrophobicContact CB-CD1 4.16Å; P162-Y164 HydrophobicContact CB-CE1 4.24Å; P162-Y164 HydrophobicContact CG-CE1 4.2Å; Y164-H166 HydrophobicContact CE2-CB 4.27Å; Y164-H166 AromaticContact CE2-CD2 3.89Å; Y164-S335 WeakPolarHBondContact CA-O 3.45Å; Y164-G337 WeakPolarHBondContact CE2-O 3.44Å; Y164-F342 HydrophobicContact CE1-CE2 4.44Å; Y164-F342 AromaticContact CE1-CZ 3.82Å; Y164-F342 HydrophobicContact CE1-CZ 3.82Å; Y164-F342 AromaticContact CZ-CZ 3.95Å
165	T	90.1	Very high	84.7	Confident	82 Å²	82	64.1 Å²	64.1	50%	0.503	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	168.8	-53.5	0	0	0	0	110	L167 S335 K336 G337	T165-L167 HydrophobicContact CG2-CD2 4.47Å; T165-L167 PolarHBondContact O-N 2.78Å; T165-S335 PolarHBondContact N-O 3.21Å; T165-K336 CarbonylContact O-C 3.57Å; T165-K336 VanDerWaalsContact O-CA 3.3Å; T165-K336 WeakPolarHBondContact O-CA 3.37Å; T165-G337 PolarHBondContact O-N 2.92Å
166	H	89.6	Confident	83.9	Confident	68 Å²	68	63.3 Å²	63.3	32%	0.315	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.8	175.4	-167.5	-95.8	0	0	0	111.2	L149 Y164 G337 W339	L149-H166 HydrophobicContact CD1-CB 3.83Å; Y164-H166 HydrophobicContact CE2-CB 4.27Å; Y164-H166 AromaticContact CE2-CD2 3.89Å; H166-G337 CarbonylContact C-O 3.54Å; H166-G337 VanDerWaalsContact CA-O 3.25Å; H166-G337 WeakPolarHBondContact CA-O 3.36Å; H166-W339 AromaticContact CD2-CD1 3.9Å; H166-W339 AromaticContact NE2-CD1 3.62Å; H166-W339 AromaticContact NE2-NE1 3.87Å
167	L	88.4	Confident	82.4	Confident	30 Å²	30	64.4 Å²	64.4	16%	0.157	38%	0.384	C	S	.	.			trans	-111.8	154.8	179.4	-68.1	-174.9	0	0	0	111.9	T165 D171 V296 K336 G337 N338	T165-L167 HydrophobicContact CG2-CD2 4.47Å; T165-L167 PolarHBondContact O-N 2.78Å; L167-D171 HydrophobicContact CD1-CB 4Å; L167-V296 HydrophobicContact CB-CG1 3.53Å; L167-V296 HydrophobicContact CD1-CG1 4.11Å; L167-V296 HydrophobicContact CG-CG1 4.48Å; L167-K336 HydrophobicContact CD1-CB 3.49Å; L167-K336 VanDerWaalsContact CD1-CB 3.49Å; L167-K336 HydrophobicContact CD1-CD 4.24Å; L167-K336 HydrophobicContact CD2-CB 4.32Å; L167-K336 HydrophobicContact CD2-CD 4.45Å; L167-K336 HydrophobicContact CG-CB 3.77Å; L167-G337 PolarHBondContact N-O 3.13Å; L167-N338 WeakPolarHBondContact O-CB 3.36Å
168	L	84	Confident	81	Confident	89 Å²	89	62.3 Å²	62.3	47%	0.466	37%	0.369	S	S	.	.	S	Bend	trans	-113.9	-9.5	177.8	-58.3	179.4	0	0	0	114.1	R262	L168-R262 PolarHBondContact O-NE 2.87Å; L168-R262 PolarHBondContact O-NH2 3.28Å
169	N	85.4	Confident	79.1	Confident	76 Å²	76	63.4 Å²	63.4	41%	0.406	35%	0.349	S	S	.	.	S	Bend	trans	-146.2	152.7	177.1	-71.6	-23.7	0	0	0	107.9	R262 V296	N169-R262 VanDerWaalsContact CG-NH2 3.35Å; N169-R262 PolarHBondContact ND2-NH2 2.65Å; N169-R262 PolarHBondContact OD1-NH2 2.75Å; N169-V296 VanDerWaalsContact C-CG1 3.42Å; N169-V296 VanDerWaalsContact O-CG1 3.22Å; N169-V296 WeakPolarHBondContact O-CG1 3.27Å
170	N	82.8	Confident	76.9	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.053	38%	0.38	C	S	.	.			trans	-58.1	135.4	169.2	-88.1	-71.5	0	0	0	112.6	Y172 E294 Y295 V296 G297 V299	N170-Y172 HydrophobicContact CB-CD2 4.38Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å; N170-E294 PolarHBondContact ND2-OE1 2.85Å; N170-Y295 PolarHBondContact ND2-O 2.96Å; N170-V296 WeakPolarHBondContact OD1-CA 3.35Å; N170-G297 PolarHBondContact OD1-N 3.15Å; N170-G297 PolarHBondContact OD1-O 2.94Å; N170-V299 HydrophobicContact CB-CG2 3.93Å
171	D	85.6	Confident	74.5	Confident	35 Å²	35	67.5 Å²	67.5	19%	0.187	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-96.2	95.4	-175.4	-179.3	-1.4	0	0	0	110.8	L167 S173 G297 V299 K336	L167-D171 HydrophobicContact CD1-CB 4Å; D171-S173 VanDerWaalsContact C-N 3.32Å; D171-S173 PolarHBondContact O-N 3.3Å; D171-S173 WeakPolarHBondContact OD1-CB 3.47Å; D171-S173 PolarHBondContact OD1-N 3.19Å; D171-S173 PolarHBondContact OD1-OG 2.62Å; D171-G297 PolarHBondContact N-O 3Å; D171-V299 PolarHBondContact O-N 3.13Å; D171-K336 IonicContact OD2-NZ 2.64Å; D171-K336 PolarHBondContact OD2-NZ 2.94Å
172	Y	82.4	Confident	71.9	Confident	41 Å²	41	69 Å²	69	16%	0.161	38%	0.382	C	S	.	.			trans	-84.8	8.5	178.3	-67.2	-84.1	0	0	0	114.3	N170 L174 L175 S176 V299 E361 I362	N170-Y172 HydrophobicContact CB-CD2 4.38Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å; Y172-L174 PolarHBondContact O-N 3.4Å; Y172-L174 VanDerWaalsContact O-N 3.13Å; Y172-L175 HydrophobicContact CD1-CD1 4.49Å; Y172-L175 PolarHBondContact O-N 3.26Å; Y172-S176 PolarHBondContact O-N 2.89Å; Y172-S176 PolarHBondContact O-OG 3.16Å; Y172-V299 HydrophobicContact CD1-CB 3.72Å; Y172-V299 HydrophobicContact CD1-CG1 3.96Å; Y172-V299 HydrophobicContact CD1-CG2 3.73Å; Y172-V299 HydrophobicContact CD2-CG2 4.42Å; Y172-V299 HydrophobicContact CE1-CB 3.96Å; Y172-V299 HydrophobicContact CE1-CG1 3.82Å; Y172-V299 HydrophobicContact CE1-CG2 3.69Å; Y172-V299 HydrophobicContact CE2-CG2 4.39Å; Y172-V299 HydrophobicContact CG-CB 4.37Å; Y172-V299 HydrophobicContact CG-CG2 4.11Å; Y172-E361 WeakPolarHBondContact CE2-OE2 3.35Å; Y172-I362 PolarHBondContact OH-O 2.9Å
173	S	81.2	Confident	69.2	Low	49 Å²	49	73.1 Å²	73.1	34%	0.343	41%	0.409	S	S	.	.	H	α-helix	trans	-54.9	-35.4	-171.6	54.4	0	0	0	0	114.7	D171 L175 S176 S177	D171-S173 VanDerWaalsContact C-N 3.32Å; D171-S173 PolarHBondContact O-N 3.3Å; D171-S173 WeakPolarHBondContact OD1-CB 3.47Å; D171-S173 PolarHBondContact OD1-N 3.19Å; D171-S173 PolarHBondContact OD1-OG 2.62Å; S173-L175 VanDerWaalsContact C-N 3.34Å; S173-S176 WeakPolarHBondContact CA-OG 3.27Å; S173-S176 PolarHBondContact O-OG 3.38Å; S173-S177 WeakPolarHBondContact O-CB 3.31Å; S173-S177 PolarHBondContact O-N 3.44Å; S173-S177 PolarHBondContact O-OG 2.67Å
174	L	72.1	Confident	66.6	Low	72 Å²	72	69.8 Å²	69.8	38%	0.377	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-30.5	177.7	-66.4	168.6	0	0	0	112.8	Y172 T178 I300	Y172-L174 PolarHBondContact O-N 3.4Å; Y172-L174 VanDerWaalsContact O-N 3.13Å; L174-T178 PolarHBondContact O-OG1 3.13Å; L174-I300 HydrophobicContact CD1-CG2 3.73Å
175	L	70.5	Confident	64	Low	9 Å²	9	75.1 Å²	75.1	5%	0.047	43%	0.431	C	S	.	.	H	α-helix	trans	-95.3	-25.5	-179.8	-70.9	165.1	0	0	0	113.3	Y172 S173 T178 R179 L200 V299 D301 R329	Y172-L175 HydrophobicContact CD1-CD1 4.49Å; Y172-L175 PolarHBondContact O-N 3.26Å; S173-L175 VanDerWaalsContact C-N 3.34Å; L175-T178 WeakPolarHBondContact CA-OG1 3.36Å; L175-T178 PolarHBondContact O-OG1 3.41Å; L175-R179 PolarHBondContact O-N 2.96Å; L175-L200 HydrophobicContact CD2-CD1 4.46Å; L175-V299 HydrophobicContact CD1-CB 4Å; L175-V299 HydrophobicContact CD1-CG1 3.63Å; L175-V299 WeakPolarHBondContact CD1-O 3.28Å; L175-D301 HydrophobicContact CD2-CB 4.22Å; L175-R329 HydrophobicContact CD1-CG 4.48Å
176	S	67.9	Low	61.2	Low	56 Å²	56	77.1 Å²	77.1	39%	0.392	44%	0.443	S	S	.	.	H	α-helix	trans	-73	-34.2	174.1	64.6	0	0	0	0	111.2	Y172 S173 T178 R179 S180	Y172-S176 PolarHBondContact O-N 2.89Å; Y172-S176 PolarHBondContact O-OG 3.16Å; S173-S176 WeakPolarHBondContact CA-OG 3.27Å; S173-S176 PolarHBondContact O-OG 3.38Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.49Å; S176-R179 PolarHBondContact O-N 3.27Å; S176-S180 PolarHBondContact O-N 2.94Å; S176-S180 PolarHBondContact O-OG 3.16Å
177	S	55.9	Low	58.4	Low	83 Å²	83	79.3 Å²	79.3	58%	0.58	46%	0.461	S	S	*	.	H	α-helix	trans	-60	-34.7	173.6	-62.9	0	0	0	0	112.8	S173 S181	S173-S177 WeakPolarHBondContact O-CB 3.31Å; S173-S177 PolarHBondContact O-N 3.44Å; S173-S177 PolarHBondContact O-OG 2.67Å; S177-S181 PolarHBondContact O-OG 3.33Å
178	T	50.1	Low	55.7	Low	80 Å²	80	86.7 Å²	86.7	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-81.5	-16.4	173.1	11.8	0	0	0	0	114.4	L174 L175 S176 S181	L174-T178 PolarHBondContact O-OG1 3.13Å; L175-T178 WeakPolarHBondContact CA-OG1 3.36Å; L175-T178 PolarHBondContact O-OG1 3.41Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.49Å; T178-S181 PolarHBondContact O-OG 2.95Å
179	R	44.7	Very low	53.1	Low	100 Å²	100	86.8 Å²	86.8	38%	0.377	50%	0.496	S	S	.	.	H	α-helix	trans	-88.1	-38.1	173.7	-78.8	-178.9	165.8	171.4	-2	112.6	L175 S176 S181 I182	L175-R179 PolarHBondContact O-N 2.96Å; S176-R179 PolarHBondContact O-N 3.27Å; R179-S181 PolarHBondContact O-N 2.91Å; R179-I182 PolarHBondContact O-N 3.22Å
180	S	41.4	Very low	50.5	Low	109 Å²	109	86.1 Å²	86.1	76%	0.762	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.5	179.7	-61.5	0	0	0	0	114.1	S176	S176-S180 PolarHBondContact O-N 2.94Å; S176-S180 PolarHBondContact O-OG 3.16Å
181	S	37.3	Very low	47.9	Very low	81 Å²	81	91.4 Å²	91.4	57%	0.566	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	9.3	176.4	45.5	0	0	0	0	114.2	S177 T178 R179 P183	S177-S181 PolarHBondContact O-OG 3.33Å; T178-S181 PolarHBondContact O-OG 2.95Å; R179-S181 PolarHBondContact O-N 2.91Å; S181-P183 WeakPolarHBondContact O-CD 3.24Å
182	I	34.5	Very low	45.3	Very low	128 Å²	128	93.6 Å²	93.6	66%	0.656	58%	0.576	S	S	*	*	S	Bend	trans	-95.5	107.6	174.5	-56.2	176.4	0	0	0	109.6	R179	R179-I182 PolarHBondContact O-N 3.22Å
183	P	32	Very low	42.8	Very low	111 Å²	111	100.4 Å²	100.4	72%	0.721	61%	0.606	S	S	*	*			trans	-72.1	134.7	-179.9	28.9	-34.5	0	0	0	112.1	S181 K185	S181-P183 WeakPolarHBondContact O-CD 3.24Å; P183-K185 PolarHBondContact O-N 2.95Å
184	S	32.3	Very low	40.4	Very low	119 Å²	119	105.1 Å²	105.1	83%	0.832	63%	0.627	S	S	*	*	S	Bend	trans	-81.2	98.9	-179.7	39.1	0	0	0	0	112.5
185	K	35.2	Very low	38.3	Very low	150 Å²	150	105.2 Å²	105.2	65%	0.652	63%	0.627	S	S	*	*	S	Bend	trans	83.4	123.5	171	-55.9	-176.7	172.8	-175.4	0	117.3	P183	P183-K185 PolarHBondContact O-N 2.95Å
186	T	31	Very low	36.1	Very low	123 Å²	123	106.9 Å²	106.9	76%	0.755	65%	0.647	S	S	*	*			trans	57.8	126.6	140	54	0	0	0	0	119.4
187	T	31.8	Very low	34.1	Very low	114 Å²	114	107.6 Å²	107.6	70%	0.699	66%	0.656	S	S	*	*			cis	-166.6	145.1	2.5	-6	0	0	0	0	111.1
188	Y	30.9	Very low	32.8	Very low	186 Å²	186	108.2 Å²	108.2	73%	0.729	66%	0.656	S	S	*	*			trans	60.3	161.8	174.5	-76.3	-108.2	0	0	0	116.7	L950	Y188-L950 HydrophobicContact CD1-CD1 3.73Å; Y188-L950 HydrophobicContact CD2-CD1 3.64Å; Y188-L950 HydrophobicContact CE1-CD1 4.21Å; Y188-L950 HydrophobicContact CE2-CD1 4.12Å; Y188-L950 HydrophobicContact CG-CD1 3.45Å; Y188-L950 VanDerWaalsContact CG-CD1 3.45Å
189	S	30.8	Very low	31.7	Very low	90 Å²	90	106.9 Å²	106.9	63%	0.629	66%	0.659	S	S	*	*			cis	-165.2	140.1	-38.5	-173.2	0	0	0	0	111.1
190	G	29.3	Very low	31	Very low	63 Å²	63	104.8 Å²	104.8	65%	0.649	66%	0.655	S	S	*	*			trans	71.8	151.2	166.8	0	0	0	0	0	117.5
191	S	30.1	Very low	30.7	Very low	121 Å²	121	109.8 Å²	109.8	85%	0.846	66%	0.657	S	S	*	*			cis	-157.8	127.6	-13.4	-83.2	0	0	0	0	109
192	G	30.8	Very low	30.6	Very low	80 Å²	80	107.5 Å²	107.5	83%	0.825	64%	0.643	S	S	*	*			trans	-176.4	92	-176	0	0	0	0	0	116.3	L194	G192-L194 PolarHBondContact O-N 3.34Å
193	K	28.3	Very low	30.9	Very low	185 Å²	185	102.8 Å²	102.8	80%	0.804	62%	0.621	S	S	*	*			trans	-15.8	116.4	168.6	-62.9	170.9	178.3	175.7	0	117.7
194	L	31.8	Very low	31.5	Very low	148 Å²	148	98.7 Å²	98.7	78%	0.775	60%	0.596	S	S	*	*				-164.9	103.8	118.7	-108.7	155.1	0	0	0	108.8	G192 G196 E640	G192-L194 PolarHBondContact O-N 3.34Å; L194-G196 PolarHBondContact O-N 3.28Å; L194-E640 WeakPolarHBondContact CA-OE2 3.2Å; L194-E640 HydrophobicContact CD2-CG 3.8Å
195	L	27	Very low	32.1	Very low	73 Å²	73	93.2 Å²	93.2	38%	0.382	56%	0.557	S	S	.	*			trans	-65.5	128	-179.6	-75.4	86.6	0	0	0	109.7	E640 E641 G642	L195-E640 HydrophobicContact CB-CB 3.8Å; L195-E640 HydrophobicContact CB-CG 4.02Å; L195-E640 WeakPolarHBondContact CD1-OE2 3.49Å; L195-E640 PolarHBondContact N-OE2 3.14Å; L195-E640 CarbonylContact O-C 3.54Å; L195-E640 VanDerWaalsContact O-CA 3.28Å; L195-E640 WeakPolarHBondContact O-CA 3.09Å; L195-E641 VanDerWaalsContact CB-N 3.34Å; L195-E641 PolarHBondContact O-N 3.28Å; L195-E641 VanDerWaalsContact O-N 3.12Å; L195-G642 WeakPolarHBondContact CG-O 2.96Å
196	G	24.4	Very low	32.5	Very low	44 Å²	44	87.1 Å²	87.1	45%	0.454	53%	0.53	S	S	.	.			trans	-165.9	-14.5	177.8	0	0	0	0	0	121.4	L194 E641	L194-G196 PolarHBondContact O-N 3.28Å; G196-E641 CarbonylContact C-O 3.58Å; G196-E641 WeakPolarHBondContact CA-O 3.5Å; G196-E641 VanDerWaalsContact N-C 3.33Å; G196-E641 PolarHBondContact N-O 3.46Å
197	A	27.1	Very low	33	Very low	72 Å²	72	89.3 Å²	89.3	60%	0.595	53%	0.526	S	S	*	.			trans	-155.9	110.2	-178.6	0	0	0	0	0	114.6	E641	A197-E641 PolarHBondContact N-O 3.15Å; A197-E641 VanDerWaalsContact N-O 3.13Å
198	T	27.5	Very low	33.8	Very low	95 Å²	95	86.5 Å²	86.5	58%	0.583	51%	0.505	S	S	*	.	S	Bend	trans	-92.1	116.8	162.1	48.1	0	0	0	0	111.1	C643	T198-C643 WeakPolarHBondContact CG2-O 3.4Å
199	G	27.5	Very low	34.8	Very low	52 Å²	52	78 Å²	78	54%	0.536	47%	0.472	S	S	.	.			trans	88.4	14.4	147	0	0	0	0	0	119.6	R201	G199-R201 PolarHBondContact O-N 3.41Å
200	L	29.8	Very low	35.7	Very low	57 Å²	57	78.6 Å²	78.6	30%	0.298	46%	0.461	S	S	.	.			trans	-71.6	40.7	178.4	-116.9	-166.9	0	0	0	115.6	L175 A202 D328	L175-L200 HydrophobicContact CD2-CD1 4.46Å; L200-A202 PolarHBondContact O-N 3.48Å; L200-D328 WeakPolarHBondContact CD2-OD1 3.46Å; L200-D328 WeakPolarHBondContact CD2-OD2 3.35Å; L200-D328 VanDerWaalsContact CG-OD2 3.3Å; L200-D328 WeakPolarHBondContact CG-OD2 3.46Å
201	R	34.4	Very low	37	Very low	213 Å²	213	81.9 Å²	81.9	80%	0.804	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-68.8	120.1	158	-56.1	-176.4	-170.1	-163.5	4.1	106.4	G199 S203	G199-R201 PolarHBondContact O-N 3.41Å; R201-S203 PolarHBondContact O-N 3.45Å
202	A	35.5	Very low	38.9	Very low	33 Å²	33	77.2 Å²	77.2	27%	0.273	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-58.4	136.1	151.1	0	0	0	0	0	106.1	L200 H206	L200-A202 PolarHBondContact O-N 3.48Å; A202-H206 HydrophobicContact CB-CB 4.03Å
203	S	42	Very low	41.1	Very low	29 Å²	29	76.7 Å²	76.7	20%	0.203	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-59.1	154.9	176.4	-176.7	0	0	0	0	109.1	R201 L205 H206 E453	R201-S203 PolarHBondContact O-N 3.45Å; S203-L205 PolarHBondContact O-N 2.79Å; S203-L205 VanDerWaalsContact O-N 3.14Å; S203-H206 WeakPolarHBondContact O-CB 3.41Å; S203-H206 PolarHBondContact O-N 3.45Å; S203-E453 WeakPolarHBondContact CA-OE1 3.27Å; S203-E453 VanDerWaalsContact CB-CD 3.44Å; S203-E453 VanDerWaalsContact CB-OE1 3.27Å; S203-E453 WeakPolarHBondContact CB-OE1 3.47Å; S203-E453 WeakPolarHBondContact CB-OE2 3.4Å; S203-E453 PolarHBondContact N-OE1 3.14Å; S203-E453 PolarHBondContact N-OE2 3.05Å
204	S	43.3	Very low	43.6	Very low	26 Å²	26	68 Å²	68	18%	0.182	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.6	175	172.1	0	0	0	0	111.9	H206 Y207 E208 R544	S204-H206 VanDerWaalsContact C-N 3.32Å; S204-H206 PolarHBondContact O-N 2.96Å; S204-Y207 PolarHBondContact O-N 3.47Å; S204-E208 WeakPolarHBondContact O-CB 3.44Å; S204-E208 PolarHBondContact O-N 2.91Å; S204-E208 PolarHBondContact OG-OE2 3.02Å; S204-R544 VanDerWaalsContact CB-CD 3.46Å; S204-R544 VanDerWaalsContact OG-CD 3.27Å; S204-R544 WeakPolarHBondContact OG-CD 3.29Å
205	L	45	Very low	45.7	Very low	3 Å²	3	63.8 Å²	63.8	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-40.3	-62.2	152.1	-74.2	164.5	0	0	0	110.3	S203 Y207 E208 M209 E453 M487 A490	S203-L205 PolarHBondContact O-N 2.79Å; S203-L205 VanDerWaalsContact O-N 3.14Å; L205-Y207 PolarHBondContact O-N 2.9Å; L205-Y207 VanDerWaalsContact O-N 3.12Å; L205-E208 PolarHBondContact O-N 3.13Å; L205-M209 HydrophobicContact CB-CE 3.8Å; L205-M209 HydrophobicContact CB-SD 4.4Å; L205-M209 HydrophobicContact CD2-CE 3.78Å; L205-M209 HydrophobicContact CG-CE 4.36Å; L205-M209 VanDerWaalsContact O-CB 3.24Å; L205-M209 WeakPolarHBondContact O-CB 3.36Å; L205-M209 WeakPolarHBondContact O-CG 3.18Å; L205-M209 PolarHBondContact O-N 2.89Å; L205-E453 HydrophobicContact CB-CG 4.46Å; L205-E453 HydrophobicContact CD1-CB 4.29Å; L205-E453 HydrophobicContact CD1-CG 4.01Å; L205-M487 HydrophobicContact CD2-CE 3.97Å; L205-A490 HydrophobicContact CD2-CB 3.47Å; L205-A490 VanDerWaalsContact CD2-CB 3.47Å; L205-A490 HydrophobicContact CG-CB 4.46Å
206	H	44.5	Very low	48.3	Very low	22 Å²	22	60.5 Å²	60.5	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-9.3	178.5	-109.2	-51.2	0	0	0	116.1	A202 S203 S204 R210 I362 E453	A202-H206 HydrophobicContact CB-CB 4.03Å; S203-H206 WeakPolarHBondContact O-CB 3.41Å; S203-H206 PolarHBondContact O-N 3.45Å; S204-H206 VanDerWaalsContact C-N 3.32Å; S204-H206 PolarHBondContact O-N 2.96Å; H206-R210 WeakPolarHBondContact O-CD 3.45Å; H206-R210 VanDerWaalsContact O-CG 3.29Å; H206-R210 WeakPolarHBondContact O-CG 3.45Å; H206-R210 PolarHBondContact O-NE 3.28Å; H206-I362 WeakPolarHBondContact NE2-CD1 3.21Å; H206-E453 WeakPolarHBondContact CB-OE1 3.42Å; H206-E453 IonicContact CD2-OE1 2.69Å; H206-E453 PolarHBondContact CD2-OE1 3.2Å; H206-E453 VanDerWaalsContact CD2-OE1 3.29Å; H206-E453 IonicContact CG-OE1 3.95Å; H206-E453 PolarHBondContact N-OE1 2.9Å
207	Y	42	Very low	51.1	Low	169 Å²	169	61.8 Å²	61.8	66%	0.663	32%	0.323	S	S	*	.	H	α-helix	trans	-93.7	-43.4	170.5	-173.9	-93.7	0	0	0	111.9	S204 L205 R210	S204-Y207 PolarHBondContact O-N 3.47Å; L205-Y207 PolarHBondContact O-N 2.9Å; L205-Y207 VanDerWaalsContact O-N 3.12Å; Y207-R210 VanDerWaalsContact O-CB 3.3Å; Y207-R210 WeakPolarHBondContact O-CB 3.45Å; Y207-R210 PolarHBondContact O-N 3.36Å
208	E	47.7	Very low	53.8	Low	56 Å²	56	60.4 Å²	60.4	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-73.1	-30.6	179.5	-67.6	169	121.7	0	0	110.8	S204 L205 R210 R526 R544	S204-E208 WeakPolarHBondContact O-CB 3.44Å; S204-E208 PolarHBondContact O-N 2.91Å; S204-E208 PolarHBondContact OG-OE2 3.02Å; L205-E208 PolarHBondContact O-N 3.13Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.85Å; E208-R526 IonicContact OE1-CZ 3.61Å; E208-R526 IonicContact OE1-NH1 2.83Å; E208-R526 PolarHBondContact OE1-NH1 3.13Å; E208-R544 IonicContact OE2-NH1 2.72Å
209	M	51.4	Low	56.5	Low	6 Å²	6	56.4 Å²	56.4	3%	0.03	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.7	-19.8	168.5	-69.9	166.1	-172.5	0	0	114.5	L205 Q211 W212 V451 M487	L205-M209 HydrophobicContact CB-CE 3.8Å; L205-M209 HydrophobicContact CB-SD 4.4Å; L205-M209 HydrophobicContact CD2-CE 3.78Å; L205-M209 HydrophobicContact CG-CE 4.36Å; L205-M209 VanDerWaalsContact O-CB 3.24Å; L205-M209 WeakPolarHBondContact O-CB 3.36Å; L205-M209 WeakPolarHBondContact O-CG 3.18Å; L205-M209 PolarHBondContact O-N 2.89Å; M209-Q211 PolarHBondContact O-N 3.35Å; M209-Q211 VanDerWaalsContact O-N 3.07Å; M209-W212 HydrophobicContact CG-CD2 4.5Å; M209-W212 HydrophobicContact CG-CZ2 4.17Å; M209-W212 PolarHBondContact O-N 3.25Å; M209-V451 HydrophobicContact CE-CB 4.16Å; M209-V451 HydrophobicContact CE-CG1 3.97Å; M209-V451 HydrophobicContact CE-CG2 4.16Å; M209-V451 HydrophobicContact SD-CG1 4.06Å; M209-M487 HydrophobicContact CE-CE 3.42Å; M209-M487 VanDerWaalsContact CE-CE 3.42Å; M209-M487 HydrophobicContact CE-SD 3.77Å; M209-M487 HydrophobicContact CG-CE 4.26Å
210	R	49.6	Very low	59.2	Low	104 Å²	104	56.3 Å²	56.3	39%	0.392	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-61.6	-20.5	-177.3	-79.6	166	-171.3	-126.3	-16.1	113.5	H206 Y207 E208 G360	H206-R210 WeakPolarHBondContact O-CD 3.45Å; H206-R210 VanDerWaalsContact O-CG 3.29Å; H206-R210 WeakPolarHBondContact O-CG 3.45Å; H206-R210 PolarHBondContact O-NE 3.28Å; Y207-R210 VanDerWaalsContact O-CB 3.3Å; Y207-R210 WeakPolarHBondContact O-CB 3.45Å; Y207-R210 PolarHBondContact O-N 3.36Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.85Å; R210-G360 PolarHBondContact NH2-O 2.99Å
211	Q	58.3	Low	61.9	Low	131 Å²	131	58.2 Å²	58.2	61%	0.612	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-115.7	19.6	-172.9	-144.9	161.8	8.4	0	0	113	M209 I213	M209-Q211 PolarHBondContact O-N 3.35Å; M209-Q211 VanDerWaalsContact O-N 3.07Å; Q211-I213 PolarHBondContact O-N 2.92Å
212	W	69.6	Low	64.2	Low	23 Å²	23	52.9 Å²	52.9	9%	0.087	28%	0.283	C	S	.	.			trans	-64.9	100.3	173.2	-80.7	13	0	0	0	111.6	M209 N237 L240 I242 V451 D486 M487	M209-W212 HydrophobicContact CG-CD2 4.5Å; M209-W212 HydrophobicContact CG-CZ2 4.17Å; M209-W212 PolarHBondContact O-N 3.25Å; W212-N237 PolarHBondContact O-ND2 3.44Å; W212-L240 HydrophobicContact CE3-CD1 4.42Å; W212-L240 HydrophobicContact CZ3-CD1 3.68Å; W212-I242 HydrophobicContact CD2-CD1 4.45Å; W212-I242 HydrophobicContact CE3-CD1 3.35Å; W212-I242 HydrophobicContact CZ3-CD1 3.54Å; W212-V451 HydrophobicContact CH2-CG2 3.71Å; W212-V451 HydrophobicContact CZ3-CG2 3.86Å; W212-D486 HydrophobicContact CZ2-CB 4.49Å; W212-M487 HydrophobicContact CH2-CE 3.86Å; W212-M487 HydrophobicContact CH2-CG 3.93Å; W212-M487 HydrophobicContact CH2-SD 3.91Å; W212-M487 HydrophobicContact CZ2-CE 3.46Å; W212-M487 VanDerWaalsContact CZ2-CE 3.46Å; W212-M487 HydrophobicContact CZ2-CG 4.12Å; W212-M487 HydrophobicContact CZ2-SD 4.12Å
213	I	76.8	Confident	66.5	Low	70 Å²	70	52.1 Å²	52.1	36%	0.359	27%	0.274	S	S	.	.			trans	-91.3	124.3	175.5	-64.2	163.5	0	0	0	108.7	Q211 H247	Q211-I213 PolarHBondContact O-N 2.92Å; I213-H247 HydrophobicContact CD1-CB 3.74Å; I213-H247 HydrophobicContact CG1-CB 4.02Å
214	C	80.5	Confident	68.4	Low	2 Å²	2	53.6 Å²	53.6	1%	0.014	28%	0.279	C	S	.	.			trans	-80.1	147.7	173.3	60.5	0	0	0	0	112.8	C216 I236 N237	C214-C216 PolarHBondContact O-N 3.16Å; C214-I236 HydrophobicContact CB-CG2 4.16Å; C214-N237 HydrophobicContact CB-CB 4.46Å; C214-N237 WeakPolarHBondContact CB-OD1 3.37Å
215	D	75.5	Confident	70.3	Confident	59 Å²	59	59.1 Å²	59.1	32%	0.316	31%	0.307	S	S	.	.			trans	-75.1	29.6	174.7	-29.3	-101.6	0	0	0	113.9	V217 R723	D215-V217 PolarHBondContact O-N 3.45Å; D215-R723 IonicContact OD2-CZ 3.66Å; D215-R723 IonicContact OD2-NH1 3.48Å; D215-R723 PolarHBondContact OD2-NH1 3.36Å; D215-R723 IonicContact OD2-NH2 3.7Å; D215-R723 PolarHBondContact OD2-NH2 3.18Å
216	C	81.6	Confident	72.2	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.034	34%	0.336	C	S	.	.			trans	-82	108.7	171.2	-71.1	0	0	0	0	109	C214 C231 C235 A249 A250	C214-C216 PolarHBondContact O-N 3.16Å; C216-C231 WeakPolarHBondContact CB-SG 3.45Å; C216-C235 VanDerWaalsContact SG-SG 3.65Å; C216-A249 CarbonylContact O-C 3.16Å; C216-A249 VanDerWaalsContact O-C 3.27Å; C216-A250 PolarHBondContact O-N 2.89Å
217	V	82.9	Confident	73.9	Confident	70 Å²	70	64.5 Å²	64.5	42%	0.424	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.8	163.1	170.8	-62.4	0	0	0	0	111.4	D215 S230	D215-V217 PolarHBondContact O-N 3.45Å; V217-S230 WeakPolarHBondContact O-CB 3.42Å; V217-S230 PolarHBondContact O-OG 2.95Å
218	A	84.8	Confident	75.8	Confident	43 Å²	43	57.2 Å²	57.2	36%	0.355	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-60.3	143	167	0	0	0	0	0	110.9	A249 F253	A218-A249 PolarHBondContact N-O 3.35Å; A218-F253 HydrophobicContact CB-CD2 4.14Å
219	P	83.8	Confident	77.6	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.071	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69.3	140.1	176.2	31.2	-34.6	0	0	0	110.2	E223 L224 S230 F253	P219-E223 HydrophobicContact CB-CB 4.04Å; P219-L224 HydrophobicContact CB-CD2 4.29Å; P219-L224 HydrophobicContact CB-CG 4.12Å; P219-L224 HydrophobicContact CG-CD1 4.27Å; P219-L224 HydrophobicContact CG-CD2 3.51Å; P219-L224 HydrophobicContact CG-CG 3.72Å; P219-S230 WeakPolarHBondContact CD-OG 3.44Å; P219-F253 HydrophobicContact CG-CB 3.67Å; P219-F253 HydrophobicContact CG-CD1 4.29Å; P219-F253 HydrophobicContact CG-CD2 4.33Å; P219-F253 HydrophobicContact CG-CG 3.86Å
220	T	85.1	Confident	79.4	Confident	51 Å²	51	56.5 Å²	56.5	31%	0.313	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-72.3	162.5	175.6	67.6	0	0	0	0	111.2	V222 E223 L224 L740	T220-V222 PolarHBondContact O-N 3.37Å; T220-V222 VanDerWaalsContact O-N 3.09Å; T220-E223 WeakPolarHBondContact CA-OE2 3.47Å; T220-E223 VanDerWaalsContact CB-OE2 3.3Å; T220-E223 WeakPolarHBondContact CB-OE2 3.25Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.3Å; T220-E223 PolarHBondContact N-OE2 3.23Å; T220-E223 WeakPolarHBondContact O-CB 3.27Å; T220-E223 PolarHBondContact O-N 3.07Å; T220-E223 WeakPolarHBondContact OG1-CG 3.36Å; T220-E223 PolarHBondContact OG1-OE2 2.9Å; T220-L224 PolarHBondContact O-N 3.47Å; T220-L224 VanDerWaalsContact O-N 3.09Å; T220-L740 HydrophobicContact CG2-CD1 3.61Å; T220-L740 WeakPolarHBondContact OG1-CD1 3.36Å
221	P	85.3	Confident	81.3	Confident	97 Å²	97	51.7 Å²	51.7	63%	0.63	29%	0.294	S	S	*	.	H	α-helix	trans	-57.3	-30.1	-174.4	-28.8	36.8	0	0	0	115.2	E223 N225	P221-E223 VanDerWaalsContact C-N 3.34Å; P221-N225 WeakPolarHBondContact O-CB 3.38Å; P221-N225 PolarHBondContact O-N 3.37Å; P221-N225 PolarHBondContact O-ND2 2.89Å
222	V	83.9	Confident	82.5	Confident	101 Å²	101	46.3 Å²	46.3	61%	0.612	27%	0.273	S	S	*	.	H	α-helix	trans	-66.7	-38.9	176.1	-178.6	0	0	0	0	111.1	T220 N225 L226	T220-V222 PolarHBondContact O-N 3.37Å; T220-V222 VanDerWaalsContact O-N 3.09Å; V222-N225 PolarHBondContact O-N 3.34Å; V222-L226 HydrophobicContact CG1-CD1 4.47Å; V222-L226 WeakPolarHBondContact O-CG 3.42Å; V222-L226 PolarHBondContact O-N 2.94Å
223	E	82.2	Confident	82.9	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-74.4	-40.9	-176.8	-53.8	174.3	104.8	0	0	110.2	P219 T220 P221 L226 G227 I228 S739	P219-E223 HydrophobicContact CB-CB 4.04Å; T220-E223 WeakPolarHBondContact CA-OE2 3.47Å; T220-E223 VanDerWaalsContact CB-OE2 3.3Å; T220-E223 WeakPolarHBondContact CB-OE2 3.25Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.3Å; T220-E223 PolarHBondContact N-OE2 3.23Å; T220-E223 WeakPolarHBondContact O-CB 3.27Å; T220-E223 PolarHBondContact O-N 3.07Å; T220-E223 WeakPolarHBondContact OG1-CG 3.36Å; T220-E223 PolarHBondContact OG1-OE2 2.9Å; P221-E223 VanDerWaalsContact C-N 3.34Å; E223-L226 CarbonylContact O-C 3.5Å; E223-L226 PolarHBondContact O-N 2.95Å; E223-G227 PolarHBondContact O-N 3.24Å; E223-I228 HydrophobicContact CB-CB 4.32Å; E223-I228 WeakPolarHBondContact O-CB 3.49Å; E223-I228 PolarHBondContact O-N 2.98Å; E223-S739 WeakPolarHBondContact CG-OG 3.32Å; E223-S739 WeakPolarHBondContact OE1-CB 3.31Å; E223-S739 PolarHBondContact OE1-OG 3.47Å
224	L	83.2	Confident	82.7	Confident	60 Å²	60	48.7 Å²	48.7	31%	0.314	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-42.2	170.8	-73.7	172.5	0	0	0	112.6	P219 T220 L226 G227 F253	P219-L224 HydrophobicContact CB-CD2 4.29Å; P219-L224 HydrophobicContact CB-CG 4.12Å; P219-L224 HydrophobicContact CG-CD1 4.27Å; P219-L224 HydrophobicContact CG-CD2 3.51Å; P219-L224 HydrophobicContact CG-CG 3.72Å; T220-L224 PolarHBondContact O-N 3.47Å; T220-L224 VanDerWaalsContact O-N 3.09Å; L224-L226 PolarHBondContact O-N 2.92Å; L224-G227 WeakPolarHBondContact O-CA 3.23Å; L224-G227 PolarHBondContact O-N 3.31Å; L224-F253 HydrophobicContact CD1-CD1 4.43Å; L224-F253 HydrophobicContact CD1-CE1 3.93Å; L224-F253 HydrophobicContact CD1-CZ 4.07Å; L224-F253 HydrophobicContact CD2-CD1 3.6Å; L224-F253 HydrophobicContact CD2-CE1 3.77Å; L224-F253 HydrophobicContact CD2-CG 4.37Å
225	N	81.8	Confident	82.9	Confident	142 Å²	142	48.7 Å²	48.7	76%	0.759	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-26	176	-73.2	-17.6	0	0	0	113	P221 V222 G227	P221-N225 WeakPolarHBondContact O-CB 3.38Å; P221-N225 PolarHBondContact O-N 3.37Å; P221-N225 PolarHBondContact O-ND2 2.89Å; V222-N225 PolarHBondContact O-N 3.34Å; N225-G227 VanDerWaalsContact C-N 3.26Å
226	L	86.3	Confident	83.1	Confident	119 Å²	119	46.1 Å²	46.1	62%	0.623	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.2	170.6	-66.9	170.6	0	0	0	112.9	V222 E223 L224 I228	V222-L226 HydrophobicContact CG1-CD1 4.47Å; V222-L226 WeakPolarHBondContact O-CG 3.42Å; V222-L226 PolarHBondContact O-N 2.94Å; E223-L226 CarbonylContact O-C 3.5Å; E223-L226 PolarHBondContact O-N 2.95Å; L224-L226 PolarHBondContact O-N 2.92Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 HydrophobicContact CB-CD1 3.86Å; L226-I228 HydrophobicContact CB-CG1 3.89Å; L226-I228 HydrophobicContact CD1-CD1 4.13Å; L226-I228 PolarHBondContact O-N 3.44Å
227	G	79	Confident	83.4	Confident	19 Å²	19	46 Å²	46	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	36.4	-176.8	0	0	0	0	0	113	K120 E223 L224 N225	K120-G227 PolarHBondContact NZ-O 2.87Å; E223-G227 PolarHBondContact O-N 3.24Å; L224-G227 WeakPolarHBondContact O-CA 3.23Å; L224-G227 PolarHBondContact O-N 3.31Å; N225-G227 VanDerWaalsContact C-N 3.26Å
228	I	81.6	Confident	83.6	Confident	16 Å²	16	45 Å²	45	8%	0.082	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-97.4	119.3	175.2	-52.6	173	0	0	0	108.3	K115 E223 L226 S739	K115-I228 HydrophobicContact CD-CG1 4.31Å; E223-I228 HydrophobicContact CB-CB 4.32Å; E223-I228 WeakPolarHBondContact O-CB 3.49Å; E223-I228 PolarHBondContact O-N 2.98Å; L226-I228 VanDerWaalsContact C-N 3.32Å; L226-I228 HydrophobicContact CB-CD1 3.86Å; L226-I228 HydrophobicContact CB-CG1 3.89Å; L226-I228 HydrophobicContact CD1-CD1 4.13Å; L226-I228 PolarHBondContact O-N 3.44Å; I228-S739 WeakPolarHBondContact CD1-OG 3.49Å
229	L	87.3	Confident	83.6	Confident	34 Å²	34	44.2 Å²	44.2	18%	0.178	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-94.6	153.4	173.1	-64.3	175.9	0	0	0	110.8	D117 R119	D117-L229 WeakPolarHBondContact OD1-CD1 3.46Å; R119-L229 HydrophobicContact CG-CD1 4.23Å
230	S	89.4	Confident	83.4	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.091	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-74.6	168.4	172.1	-82	0	0	0	0	111.7	V217 P219 G232 A250 F253 S255	V217-S230 WeakPolarHBondContact O-CB 3.42Å; V217-S230 PolarHBondContact O-OG 2.95Å; P219-S230 WeakPolarHBondContact CD-OG 3.44Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 3.16Å; S230-A250 VanDerWaalsContact CB-CB 3.49Å; S230-F253 PolarHBondContact N-O 3.47Å; S230-S255 WeakPolarHBondContact O-CB 3.35Å; S230-S255 PolarHBondContact O-N 2.89Å; S230-S255 PolarHBondContact O-OG 2.87Å
231	C	87.9	Confident	83.6	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.02	27%	0.265	C	S	.	.	S	Bend	trans	62.1	35.4	-178	-48.6	0	0	0	0	114.1	C216 C235 R238 C248 C254 S255 N256	C216-C231 WeakPolarHBondContact CB-SG 3.45Å; C231-C235 HydrophobicContact CB-CB 4.11Å; C231-R238 PolarHBondContact O-NE 2.88Å; C231-R238 PolarHBondContact O-NH2 3.38Å; C231-R238 VanDerWaalsContact O-NH2 3.12Å; C231-C248 VanDerWaalsContact SG-SG 3.6Å; C231-C254 PolarHBondContact SG-SG 3.11Å; C231-S255 VanDerWaalsContact C-OG 3.27Å; C231-S255 PolarHBondContact O-OG 2.76Å; C231-N256 HydrophobicContact CB-CB 3.66Å
232	G	84.8	Confident	83.7	Confident	18 Å²	18	39.4 Å²	39.4	19%	0.186	24%	0.237	C	C	.	.	S	Bend	trans	-70.5	-155.2	169.6	0	0	0	0	0	113.1	S230 G234 C235 R238	S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 3.16Å; G232-G234 PolarHBondContact O-N 3.44Å; G232-C235 WeakPolarHBondContact O-CB 3.4Å; G232-C235 PolarHBondContact O-N 2.96Å; G232-C235 VanDerWaalsContact O-N 3.13Å; G232-R238 WeakPolarHBondContact O-CD 3.39Å; G232-R238 PolarHBondContact O-NE 3.44Å
233	P	78.1	Confident	84	Confident	107 Å²	107	34.8 Å²	34.8	70%	0.695	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.4	-175.7	-29.7	36.9	0	0	0	115	C235	P233-C235 PolarHBondContact O-N 3.25Å
234	G	72.1	Confident	84.4	Confident	37 Å²	37	34.1 Å²	34.1	38%	0.381	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	32.2	175.3	0	0	0	0	0	115.2	G232	G232-G234 PolarHBondContact O-N 3.44Å
235	C	84.2	Confident	84.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	20%	0.201	C	C	.	.			trans	-103.7	118.5	173.4	-176.8	0	0	0	0	108.8	C216 C231 G232 P233 N237 R238 A239	C216-C235 VanDerWaalsContact SG-SG 3.65Å; C231-C235 HydrophobicContact CB-CB 4.11Å; G232-C235 WeakPolarHBondContact O-CB 3.4Å; G232-C235 PolarHBondContact O-N 2.96Å; G232-C235 VanDerWaalsContact O-N 3.13Å; P233-C235 PolarHBondContact O-N 3.25Å; C235-N237 VanDerWaalsContact C-N 3.31Å; C235-N237 PolarHBondContact O-N 3.32Å; C235-R238 HydrophobicContact CB-CB 3.88Å; C235-R238 WeakPolarHBondContact O-CA 3.3Å; C235-R238 WeakPolarHBondContact O-CB 3.29Å; C235-R238 PolarHBondContact O-N 2.96Å; C235-A239 PolarHBondContact O-N 3.18Å
236	I	79.8	Confident	84.8	Confident	5 Å²	5	32 Å²	32	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-42.1	-176	-174.6	55.4	0	0	0	112.7	C214 R238 A239 L240 Y482	C214-I236 HydrophobicContact CB-CG2 4.16Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.27Å; I236-A239 HydrophobicContact CD1-CB 4.46Å; I236-A239 CarbonylContact O-C 3.56Å; I236-A239 PolarHBondContact O-N 3.41Å; I236-A239 VanDerWaalsContact O-N 3.13Å; I236-L240 HydrophobicContact CD1-CD1 3.81Å; I236-L240 HydrophobicContact CD1-CD2 4.14Å; I236-L240 HydrophobicContact CD1-CG 3.72Å; I236-L240 HydrophobicContact CG1-CD1 3.92Å; I236-L240 HydrophobicContact CG1-CG 4.21Å; I236-L240 WeakPolarHBondContact O-CG 3.19Å; I236-L240 PolarHBondContact O-N 2.78Å; I236-Y482 HydrophobicContact CB-CD1 3.89Å; I236-Y482 HydrophobicContact CB-CE1 4.36Å; I236-Y482 HydrophobicContact CB-CG 4.49Å; I236-Y482 HydrophobicContact CD1-CD1 3.62Å; I236-Y482 HydrophobicContact CD1-CD2 3.79Å; I236-Y482 HydrophobicContact CD1-CE1 4.21Å; I236-Y482 HydrophobicContact CD1-CE2 4.36Å; I236-Y482 HydrophobicContact CD1-CG 3.4Å; I236-Y482 VanDerWaalsContact CD1-CG 3.4Å; I236-Y482 HydrophobicContact CG1-CD1 3.75Å; I236-Y482 HydrophobicContact CG1-CG 3.86Å
237	N	87.5	Confident	84.7	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-48.4	173.4	-73.3	45.3	0	0	0	111.5	W212 C214 C235 A239 L240 N241 I242	W212-N237 PolarHBondContact O-ND2 3.44Å; C214-N237 HydrophobicContact CB-CB 4.46Å; C214-N237 WeakPolarHBondContact CB-OD1 3.37Å; C235-N237 VanDerWaalsContact C-N 3.31Å; C235-N237 PolarHBondContact O-N 3.32Å; N237-A239 VanDerWaalsContact C-N 3.34Å; N237-A239 PolarHBondContact O-N 3.18Å; N237-L240 PolarHBondContact O-N 3.1Å; N237-N241 PolarHBondContact O-N 2.87Å; N237-I242 CarbonylContact C-O 3.58Å; N237-I242 HydrophobicContact CB-CB 4.34Å; N237-I242 WeakPolarHBondContact CB-O 3.49Å; N237-I242 WeakPolarHBondContact O-CA 3.39Å; N237-I242 PolarHBondContact O-N 3.22Å
238	R	88.7	Confident	85	Confident	50 Å²	50	32 Å²	32	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-43.3	176.9	-171.1	-177.4	-72.1	-78.7	5.4	111.6	C231 G232 C235 I236 L240 N241 S255 N256 W356	C231-R238 PolarHBondContact O-NE 2.88Å; C231-R238 PolarHBondContact O-NH2 3.38Å; C231-R238 VanDerWaalsContact O-NH2 3.12Å; G232-R238 WeakPolarHBondContact O-CD 3.39Å; G232-R238 PolarHBondContact O-NE 3.44Å; C235-R238 HydrophobicContact CB-CB 3.88Å; C235-R238 WeakPolarHBondContact O-CA 3.3Å; C235-R238 WeakPolarHBondContact O-CB 3.29Å; C235-R238 PolarHBondContact O-N 2.96Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.27Å; R238-L240 PolarHBondContact O-N 2.92Å; R238-N241 PolarHBondContact O-N 3.03Å; R238-S255 PolarHBondContact NH2-O 2.9Å; R238-S255 PolarHBondContact NH2-OG 2.87Å; R238-N256 WeakPolarHBondContact CB-OD1 3.3Å; R238-N256 PolarHBondContact N-ND2 3.39Å; R238-W356 HydrophobicContact CG-CH2 3.99Å
239	A	82.9	Confident	85.1	Confident	27 Å²	27	34.3 Å²	34.3	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-19.9	179.9	0	0	0	0	0	113.3	C235 I236 N237 T444 Q448	C235-A239 PolarHBondContact O-N 3.18Å; I236-A239 HydrophobicContact CD1-CB 4.46Å; I236-A239 CarbonylContact O-C 3.56Å; I236-A239 PolarHBondContact O-N 3.41Å; I236-A239 VanDerWaalsContact O-N 3.13Å; N237-A239 VanDerWaalsContact C-N 3.34Å; N237-A239 PolarHBondContact O-N 3.18Å; A239-T444 HydrophobicContact CB-CG2 3.94Å; A239-T444 WeakPolarHBondContact O-CG2 3.11Å; A239-Q448 PolarHBondContact O-NE2 2.97Å
240	L	80.9	Confident	85	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	11.2	174.7	-57.8	-177.3	0	0	0	113.5	W212 I236 N237 R238 I242 T444 L447 Q448	W212-L240 HydrophobicContact CE3-CD1 4.42Å; W212-L240 HydrophobicContact CZ3-CD1 3.68Å; I236-L240 HydrophobicContact CD1-CD1 3.81Å; I236-L240 HydrophobicContact CD1-CD2 4.14Å; I236-L240 HydrophobicContact CD1-CG 3.72Å; I236-L240 HydrophobicContact CG1-CD1 3.92Å; I236-L240 HydrophobicContact CG1-CG 4.21Å; I236-L240 WeakPolarHBondContact O-CG 3.19Å; I236-L240 PolarHBondContact O-N 2.78Å; N237-L240 PolarHBondContact O-N 3.1Å; R238-L240 PolarHBondContact O-N 2.92Å; L240-I242 VanDerWaalsContact C-N 3.27Å; L240-I242 HydrophobicContact CB-CD1 3.94Å; L240-I242 HydrophobicContact CB-CG1 4.17Å; L240-I242 PolarHBondContact O-N 3.24Å; L240-T444 HydrophobicContact CD2-CG2 4.32Å; L240-L447 HydrophobicContact CD1-CB 4.26Å; L240-L447 HydrophobicContact CD2-CB 3.61Å; L240-Q448 HydrophobicContact CD2-CG 3.86Å
241	N	87.9	Confident	84.9	Confident	39 Å²	39	33.5 Å²	33.5	21%	0.209	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.5	-172.6	-63.5	-0.2	0	0	0	113.9	N237 R238 K355 W356 S357	N237-N241 PolarHBondContact O-N 2.87Å; R238-N241 PolarHBondContact O-N 3.03Å; N241-K355 WeakPolarHBondContact CB-O 3.31Å; N241-K355 PolarHBondContact ND2-O 3.13Å; N241-W356 HydrophobicContact CB-CD2 3.78Å; N241-W356 HydrophobicContact CB-CE3 4.25Å; N241-W356 HydrophobicContact CB-CG 4Å; N241-W356 HydrophobicContact CB-CZ2 4.21Å; N241-W356 CarbonylContact O-C 3.59Å; N241-W356 WeakPolarHBondContact O-CA 3.24Å; N241-S357 PolarHBondContact O-N 2.99Å
242	I	87.6	Confident	84.8	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.041	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-109.6	133.6	176.6	-59	171.7	0	0	0	107.8	W212 N237 L240 N256 S357	W212-I242 HydrophobicContact CD2-CD1 4.45Å; W212-I242 HydrophobicContact CE3-CD1 3.35Å; W212-I242 HydrophobicContact CZ3-CD1 3.54Å; N237-I242 CarbonylContact C-O 3.58Å; N237-I242 HydrophobicContact CB-CB 4.34Å; N237-I242 WeakPolarHBondContact CB-O 3.49Å; N237-I242 WeakPolarHBondContact O-CA 3.39Å; N237-I242 PolarHBondContact O-N 3.22Å; L240-I242 VanDerWaalsContact C-N 3.27Å; L240-I242 HydrophobicContact CB-CD1 3.94Å; L240-I242 HydrophobicContact CB-CG1 4.17Å; L240-I242 PolarHBondContact O-N 3.24Å; I242-N256 PolarHBondContact O-ND2 2.99Å; I242-S357 WeakPolarHBondContact CA-O 3.37Å
243	E	91.5	Very high	85	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.023	25%	0.249	C	C	.	.			trans	-79.3	148.1	171.2	-73.4	-145.5	143.7	0	0	112.7	G245 R257 Q258 F259 Q260 W356 S357 V358	E243-G245 PolarHBondContact O-N 3.02Å; E243-R257 VanDerWaalsContact OE1-CA 3.31Å; E243-R257 WeakPolarHBondContact OE1-CA 3.46Å; E243-Q258 WeakPolarHBondContact OE1-CA 3.42Å; E243-Q258 WeakPolarHBondContact OE1-CG 3.34Å; E243-Q258 PolarHBondContact OE1-N 3.38Å; E243-F259 HydrophobicContact CG-CD2 4.3Å; E243-F259 WeakPolarHBondContact OE1-CD2 3.34Å; E243-F259 PolarHBondContact OE1-N 2.93Å; E243-Q260 VanDerWaalsContact OE2-CG 3.32Å; E243-Q260 WeakPolarHBondContact OE2-CG 3.29Å; E243-Q260 PolarHBondContact OE2-N 3.47Å; E243-Q260 PolarHBondContact OE2-NE2 3.21Å; E243-W356 HydrophobicContact CG-CE3 4.06Å; E243-W356 HydrophobicContact CG-CZ3 4.42Å; E243-S357 PolarHBondContact N-O 3.33Å; E243-V358 HydrophobicContact CB-CG1 4.43Å; E243-V358 HydrophobicContact CG-CG1 4.47Å; E243-V358 HydrophobicContact CG-CG2 4.01Å
244	C	90.7	Very high	85.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	22%	0.216	C	C	.	.			trans	-80.7	108	176.6	-66.8	0	0	0	0	110.1	C248 C254 N256 R257	C244-C248 HydrophobicContact CB-CB 4.02Å; C244-C254 WeakPolarHBondContact CB-SG 3.19Å; C244-N256 HydrophobicContact CB-CB 4.41Å; C244-N256 PolarHBondContact N-O 3.29Å; C244-N256 PolarHBondContact SG-ND2 3.1Å; C244-R257 VanDerWaalsContact O-CG 3.28Å; C244-R257 WeakPolarHBondContact O-CG 3.15Å; C244-R257 PolarHBondContact O-NE 2.96Å
245	G	86.5	Confident	86.6	Confident	20 Å²	20	35.8 Å²	35.8	21%	0.206	21%	0.205	C	C	.	.			trans	-57.8	178.7	172	0	0	0	0	0	113.9	E243 H247 C248 R257	E243-G245 PolarHBondContact O-N 3.02Å; G245-H247 VanDerWaalsContact C-N 3.26Å; G245-H247 PolarHBondContact O-N 3.46Å; G245-H247 VanDerWaalsContact O-N 3.17Å; G245-C248 PolarHBondContact O-N 3.19Å; G245-R257 PolarHBondContact O-NH2 3.31Å
246	L	85.8	Confident	87	Confident	137 Å²	137	35.8 Å²	35.8	72%	0.717	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-38.2	-172.7	-66.8	176.5	0	0	0	113.5	C248 R257	L246-C248 PolarHBondContact O-N 2.96Å; L246-R257 PolarHBondContact O-NH2 3.05Å
247	H	83.8	Confident	87.7	Confident	130 Å²	130	36.1 Å²	36.1	60%	0.602	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	12.9	-177.3	-50.4	-66	0	0	0	116	I213 G245 A249	I213-H247 HydrophobicContact CD1-CB 3.74Å; I213-H247 HydrophobicContact CG1-CB 4.02Å; G245-H247 VanDerWaalsContact C-N 3.26Å; G245-H247 PolarHBondContact O-N 3.46Å; G245-H247 VanDerWaalsContact O-N 3.17Å; H247-A249 PolarHBondContact O-N 3.21Å
248	C	85.9	Confident	87.9	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.061	21%	0.208	C	C	.	.			trans	-62.9	129.4	175.1	-175.5	0	0	0	0	111.4	C231 C244 G245 L246 A250 G251 C254	C231-C248 VanDerWaalsContact SG-SG 3.6Å; C244-C248 HydrophobicContact CB-CB 4.02Å; G245-C248 PolarHBondContact O-N 3.19Å; L246-C248 PolarHBondContact O-N 2.96Å; C248-A250 PolarHBondContact O-N 3.16Å; C248-G251 PolarHBondContact O-N 3.11Å; C248-C254 HydrophobicContact CB-CB 4.44Å
249	A	83.5	Confident	88.1	Confident	63 Å²	63	34.1 Å²	34.1	52%	0.521	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.8	-179.3	0	0	0	0	0	114.8	C216 A218 H247	C216-A249 CarbonylContact O-C 3.16Å; C216-A249 VanDerWaalsContact O-C 3.27Å; A218-A249 PolarHBondContact N-O 3.35Å; H247-A249 PolarHBondContact O-N 3.21Å
250	A	86.2	Confident	88.4	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.017	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.3	168.6	0	0	0	0	0	113.9	C216 S230 C248 D252 F253 C254	C216-A250 PolarHBondContact O-N 2.89Å; S230-A250 VanDerWaalsContact CB-CB 3.49Å; C248-A250 PolarHBondContact O-N 3.16Å; A250-D252 PolarHBondContact O-N 2.95Å; A250-F253 WeakPolarHBondContact O-CB 3.49Å; A250-F253 WeakPolarHBondContact O-CD2 3.47Å; A250-F253 PolarHBondContact O-N 3.28Å; A250-F253 VanDerWaalsContact O-N 3.12Å; A250-C254 HydrophobicContact CB-CB 4.09Å
251	G	86.6	Confident	88.8	Confident	29 Å²	29	36.6 Å²	36.6	30%	0.299	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	53.7	-134.8	-175.4	0	0	0	0	0	111.8	C248 F253 C254 R257	C248-G251 PolarHBondContact O-N 3.11Å; G251-F253 PolarHBondContact O-N 2.8Å; G251-C254 WeakPolarHBondContact O-CB 3.43Å; G251-C254 PolarHBondContact O-N 3.28Å; G251-R257 PolarHBondContact O-NH1 2.67Å
252	D	85.9	Confident	89	Confident	106 Å²	106	37.8 Å²	37.8	57%	0.567	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-70.6	-18	179.9	-57	-46.3	0	0	0	113.3	R119 A250 C254 R257	R119-D252 VanDerWaalsContact CZ-O 3.29Å; R119-D252 PolarHBondContact NH1-O 3.26Å; R119-D252 PolarHBondContact NH2-O 2.86Å; A250-D252 PolarHBondContact O-N 2.95Å; D252-C254 PolarHBondContact O-N 3.11Å; D252-R257 IonicContact OD1-NH1 3.94Å
253	F	89.4	Confident	89.1	Confident	86 Å²	86	39 Å²	39	38%	0.377	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.3	-1.9	173.7	-50.4	-68.4	0	0	0	113.5	A218 P219 L224 S230 A250 G251 S255	A218-F253 HydrophobicContact CB-CD2 4.14Å; P219-F253 HydrophobicContact CG-CB 3.67Å; P219-F253 HydrophobicContact CG-CD1 4.29Å; P219-F253 HydrophobicContact CG-CD2 4.33Å; P219-F253 HydrophobicContact CG-CG 3.86Å; L224-F253 HydrophobicContact CD1-CD1 4.43Å; L224-F253 HydrophobicContact CD1-CE1 3.93Å; L224-F253 HydrophobicContact CD1-CZ 4.07Å; L224-F253 HydrophobicContact CD2-CD1 3.6Å; L224-F253 HydrophobicContact CD2-CE1 3.77Å; L224-F253 HydrophobicContact CD2-CG 4.37Å; S230-F253 PolarHBondContact N-O 3.47Å; A250-F253 WeakPolarHBondContact O-CB 3.49Å; A250-F253 WeakPolarHBondContact O-CD2 3.47Å; A250-F253 PolarHBondContact O-N 3.28Å; A250-F253 VanDerWaalsContact O-N 3.12Å; G251-F253 PolarHBondContact O-N 2.8Å; F253-S255 PolarHBondContact O-N 3.14Å
254	C	91.7	Very high	89.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-67.5	107	172	179	0	0	0	0	111.9	R119 C231 C244 C248 A250 G251 D252 N256	R119-C254 PolarHBondContact NH2-O 3.11Å; C231-C254 PolarHBondContact SG-SG 3.11Å; C244-C254 WeakPolarHBondContact CB-SG 3.19Å; C248-C254 HydrophobicContact CB-CB 4.44Å; A250-C254 HydrophobicContact CB-CB 4.09Å; G251-C254 WeakPolarHBondContact O-CB 3.43Å; G251-C254 PolarHBondContact O-N 3.28Å; D252-C254 PolarHBondContact O-N 3.11Å; C254-N256 PolarHBondContact O-N 2.7Å; C254-N256 PolarHBondContact SG-N 3.05Å
255	S	91.4	Very high	89.3	Confident	21 Å²	21	41.5 Å²	41.5	15%	0.147	22%	0.224	C	C	.	.			trans	-72.2	-10.3	174.6	63.7	0	0	0	0	114.4	S230 C231 R238 F253 R257	S230-S255 WeakPolarHBondContact O-CB 3.35Å; S230-S255 PolarHBondContact O-N 2.89Å; S230-S255 PolarHBondContact O-OG 2.87Å; C231-S255 VanDerWaalsContact C-OG 3.27Å; C231-S255 PolarHBondContact O-OG 2.76Å; R238-S255 PolarHBondContact NH2-O 2.9Å; R238-S255 PolarHBondContact NH2-OG 2.87Å; F253-S255 PolarHBondContact O-N 3.14Å; S255-R257 VanDerWaalsContact C-N 3.28Å; S255-R257 PolarHBondContact O-N 3.36Å; S255-R257 VanDerWaalsContact O-N 3.16Å
256	N	93.5	Very high	89.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.			trans	-92.3	54.3	-175.3	-166.6	50.4	0	0	0	112.2	C231 R238 I242 C244 C254	C231-N256 HydrophobicContact CB-CB 3.66Å; R238-N256 WeakPolarHBondContact CB-OD1 3.3Å; R238-N256 PolarHBondContact N-ND2 3.39Å; I242-N256 PolarHBondContact O-ND2 2.99Å; C244-N256 HydrophobicContact CB-CB 4.41Å; C244-N256 PolarHBondContact N-O 3.29Å; C244-N256 PolarHBondContact SG-ND2 3.1Å; C254-N256 PolarHBondContact O-N 2.7Å; C254-N256 PolarHBondContact SG-N 3.05Å
257	R	92.9	Very high	89.8	Confident	13 Å²	13	35.1 Å²	35.1	5%	0.049	19%	0.187	C	C	.	.			trans	-141.1	35.9	177.1	-65.5	-175.4	-179.3	154.7	3.8	110.5	E243 C244 G245 L246 G251 D252 S255 Q260 M261	E243-R257 VanDerWaalsContact OE1-CA 3.31Å; E243-R257 WeakPolarHBondContact OE1-CA 3.46Å; C244-R257 VanDerWaalsContact O-CG 3.28Å; C244-R257 WeakPolarHBondContact O-CG 3.15Å; C244-R257 PolarHBondContact O-NE 2.96Å; G245-R257 PolarHBondContact O-NH2 3.31Å; L246-R257 PolarHBondContact O-NH2 3.05Å; G251-R257 PolarHBondContact O-NH1 2.67Å; D252-R257 IonicContact OD1-NH1 3.94Å; S255-R257 VanDerWaalsContact C-N 3.28Å; S255-R257 PolarHBondContact O-N 3.36Å; S255-R257 VanDerWaalsContact O-N 3.16Å; R257-Q260 HydrophobicContact CB-CB 4.44Å; R257-M261 HydrophobicContact CB-CG 3.81Å; R257-M261 WeakPolarHBondContact O-CB 3.42Å; R257-M261 WeakPolarHBondContact O-CG 3.19Å; R257-M261 PolarHBondContact O-N 3.47Å
258	Q	92.7	Very high	90.3	Very high	10 Å²	10	33 Å²	33	5%	0.047	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.7	-173.5	68	-152.3	-1.8	0	0	113.7	E243 R262 L263 F291	E243-Q258 WeakPolarHBondContact OE1-CA 3.42Å; E243-Q258 WeakPolarHBondContact OE1-CG 3.34Å; E243-Q258 PolarHBondContact OE1-N 3.38Å; Q258-R262 CarbonylContact O-C 3.48Å; Q258-R262 WeakPolarHBondContact O-CA 3.49Å; Q258-R262 PolarHBondContact O-N 2.63Å; Q258-R262 VanDerWaalsContact O-N 3.16Å; Q258-L263 HydrophobicContact CB-CB 4.3Å; Q258-L263 HydrophobicContact CB-CD1 4.48Å; Q258-L263 PolarHBondContact O-N 2.98Å; Q258-F291 HydrophobicContact CB-CB 4.4Å; Q258-F291 HydrophobicContact CB-CD1 3.77Å; Q258-F291 HydrophobicContact CB-CE1 4.35Å; Q258-F291 HydrophobicContact CB-CG 4.32Å; Q258-F291 HydrophobicContact CG-CB 4.14Å; Q258-F291 HydrophobicContact CG-CD1 3.77Å; Q258-F291 HydrophobicContact CG-CE1 4.25Å; Q258-F291 HydrophobicContact CG-CG 3.96Å; Q258-F291 VanDerWaalsContact O-CE1 3.31Å; Q258-F291 WeakPolarHBondContact O-CE1 3.41Å
259	F	92.3	Very high	90.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-54.5	171.6	-69.8	-101.1	0	0	0	110.6	E243 M261 R262 F291 E294 W356 V358 R363 F367	E243-F259 HydrophobicContact CG-CD2 4.3Å; E243-F259 WeakPolarHBondContact OE1-CD2 3.34Å; E243-F259 PolarHBondContact OE1-N 2.93Å; F259-M261 VanDerWaalsContact C-N 3.34Å; F259-M261 PolarHBondContact O-N 3.06Å; F259-R262 PolarHBondContact O-N 3.11Å; F259-F291 HydrophobicContact CD1-CE1 4.49Å; F259-F291 AromaticContact CD1-CE2 4Å; F259-F291 HydrophobicContact CD1-CE2 4Å; F259-F291 AromaticContact CD1-CZ 3.57Å; F259-F291 HydrophobicContact CD1-CZ 3.57Å; F259-F291 HydrophobicContact CD2-CE2 4.31Å; F259-F291 HydrophobicContact CD2-CZ 4.1Å; F259-F291 AromaticContact CE1-CE2 3.61Å; F259-F291 HydrophobicContact CE1-CE2 3.61Å; F259-F291 AromaticContact CE1-CZ 3.69Å; F259-F291 HydrophobicContact CE1-CZ 3.69Å; F259-F291 HydrophobicContact CE2-CD2 4.4Å; F259-F291 AromaticContact CE2-CE2 3.94Å; F259-F291 HydrophobicContact CE2-CE2 3.94Å; F259-F291 HydrophobicContact CE2-CZ 4.2Å; F259-F291 HydrophobicContact CG-CE1 4.33Å; F259-F291 HydrophobicContact CG-CE2 4.34Å; F259-F291 AromaticContact CG-CZ 3.79Å; F259-F291 HydrophobicContact CG-CZ 3.79Å; F259-F291 HydrophobicContact CZ-CD2 4.31Å; F259-F291 AromaticContact CZ-CE2 3.58Å; F259-F291 HydrophobicContact CZ-CE2 3.58Å; F259-F291 HydrophobicContact CZ-CZ 4.01Å; F259-E294 HydrophobicContact CD1-CB 4Å; F259-E294 HydrophobicContact CD1-CG 3.84Å; F259-E294 WeakPolarHBondContact CD1-OE2 3.27Å; F259-E294 HydrophobicContact CE1-CB 4.22Å; F259-E294 HydrophobicContact CE1-CG 4.05Å; F259-W356 HydrophobicContact CD2-CB 4.35Å; F259-W356 HydrophobicContact CD2-CD2 4.47Å; F259-W356 HydrophobicContact CD2-CG 4.37Å; F259-W356 HydrophobicContact CE2-CB 3.59Å; F259-W356 AromaticContact CE2-CD1 3.76Å; F259-W356 AromaticContact CE2-CD2 3.65Å; F259-W356 HydrophobicContact CE2-CD2 3.65Å; F259-W356 HydrophobicContact CE2-CE3 4.15Å; F259-W356 AromaticContact CE2-CG 3.36Å; F259-W356 HydrophobicContact CE2-CG 3.36Å; F259-W356 HydrophobicContact CZ-CB 3.71Å; F259-W356 AromaticContact CZ-CD1 3.76Å; F259-W356 HydrophobicContact CZ-CD2 4.4Å; F259-W356 AromaticContact CZ-CG 3.67Å; F259-W356 HydrophobicContact CZ-CG 3.67Å; F259-V358 HydrophobicContact CB-CG1 4.4Å; F259-V358 HydrophobicContact CB-CG2 4.1Å; F259-V358 HydrophobicContact CD2-CG2 4.25Å; F259-V358 HydrophobicContact CG-CG2 4.08Å; F259-R363 HydrophobicContact CD1-CB 4.08Å; F259-R363 HydrophobicContact CE1-CB 4.03Å; F259-F367 HydrophobicContact CE2-CE2 4.38Å; F259-F367 AromaticContact CE2-CZ 3.96Å; F259-F367 HydrophobicContact CE2-CZ 3.96Å; F259-F367 HydrophobicContact CZ-CE2 4.11Å; F259-F367 HydrophobicContact CZ-CZ 4.15Å
260	Q	90.6	Very high	91.2	Very high	42 Å²	42	31 Å²	31	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.8	-178.8	-75.5	168.4	98	0	0	113.5	E243 R257 R262 V358 N359	E243-Q260 VanDerWaalsContact OE2-CG 3.32Å; E243-Q260 WeakPolarHBondContact OE2-CG 3.29Å; E243-Q260 PolarHBondContact OE2-N 3.47Å; E243-Q260 PolarHBondContact OE2-NE2 3.21Å; R257-Q260 HydrophobicContact CB-CB 4.44Å; Q260-R262 VanDerWaalsContact C-N 3.34Å; Q260-V358 HydrophobicContact CG-CG1 3.7Å; Q260-N359 PolarHBondContact OE1-ND2 2.72Å; Q260-N359 PolarHBondContact OE1-OD1 2.85Å
261	M	88.7	Confident	91.6	Very high	47 Å²	47	33.9 Å²	33.9	23%	0.232	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.3	177.6	-56.4	-71	-42.9	0	0	113.2	Y139 R257 F259 L263	Y139-M261 HydrophobicContact CD2-CE 4.25Å; Y139-M261 HydrophobicContact CE2-CE 3.62Å; Y139-M261 HydrophobicContact CE2-SD 3.7Å; Y139-M261 VanDerWaalsContact CZ-SD 3.59Å; Y139-M261 PolarHBondContact OH-SD 2.95Å; R257-M261 HydrophobicContact CB-CG 3.81Å; R257-M261 WeakPolarHBondContact O-CB 3.42Å; R257-M261 WeakPolarHBondContact O-CG 3.19Å; R257-M261 PolarHBondContact O-N 3.47Å; F259-M261 VanDerWaalsContact C-N 3.34Å; F259-M261 PolarHBondContact O-N 3.06Å; M261-L263 HydrophobicContact CB-CD1 4.4Å; M261-L263 HydrophobicContact CB-CD2 4.01Å; M261-L263 HydrophobicContact CB-CG 3.89Å; M261-L263 PolarHBondContact O-N 3.31Å
262	R	91.5	Very high	91.9	Very high	63 Å²	63	33.4 Å²	33.4	24%	0.238	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	50.7	-176.7	-56.6	-178.3	-173.8	125.2	4.8	113.9	L142 L168 N169 Q258 F259 Q260 Y264	L142-R262 HydrophobicContact CD1-CB 4.28Å; L168-R262 PolarHBondContact O-NE 2.87Å; L168-R262 PolarHBondContact O-NH2 3.28Å; N169-R262 VanDerWaalsContact CG-NH2 3.35Å; N169-R262 PolarHBondContact ND2-NH2 2.65Å; N169-R262 PolarHBondContact OD1-NH2 2.75Å; Q258-R262 CarbonylContact O-C 3.48Å; Q258-R262 WeakPolarHBondContact O-CA 3.49Å; Q258-R262 PolarHBondContact O-N 2.63Å; Q258-R262 VanDerWaalsContact O-N 3.16Å; F259-R262 PolarHBondContact O-N 3.11Å; Q260-R262 VanDerWaalsContact C-N 3.34Å; R262-Y264 HydrophobicContact CB-CD2 4.38Å; R262-Y264 HydrophobicContact CB-CE1 4.31Å; R262-Y264 HydrophobicContact CB-CE2 3.99Å; R262-Y264 HydrophobicContact CG-CE2 4.35Å; R262-Y264 PolarHBondContact O-N 3.29Å
263	L	89.5	Confident	92.2	Very high	33 Å²	33	29.7 Å²	29.7	17%	0.173	14%	0.143	C	C	.	.			trans	-78	54.9	178.8	-55.7	-178.5	0	0	0	111.5	L118 R119 Q258 M261	L118-L263 HydrophobicContact CB-CB 4.27Å; L118-L263 HydrophobicContact CD1-CB 4.21Å; R119-L263 HydrophobicContact CG-CD1 4.49Å; Q258-L263 HydrophobicContact CB-CB 4.3Å; Q258-L263 HydrophobicContact CB-CD1 4.48Å; Q258-L263 PolarHBondContact O-N 2.98Å; M261-L263 HydrophobicContact CB-CD1 4.4Å; M261-L263 HydrophobicContact CB-CD2 4.01Å; M261-L263 HydrophobicContact CB-CG 3.89Å; M261-L263 PolarHBondContact O-N 3.31Å
264	Y	93.7	Very high	92.1	Very high	57 Å²	57	34.3 Å²	34.3	22%	0.224	16%	0.163	C	C	.	.			trans	-68	151.7	-179.2	-57.5	-29.7	0	0	0	111.9	R262 F291 V292 I293 E294	R262-Y264 HydrophobicContact CB-CD2 4.38Å; R262-Y264 HydrophobicContact CB-CE1 4.31Å; R262-Y264 HydrophobicContact CB-CE2 3.99Å; R262-Y264 HydrophobicContact CG-CE2 4.35Å; R262-Y264 PolarHBondContact O-N 3.29Å; Y264-F291 HydrophobicContact CD1-CD1 4.14Å; Y264-F291 AromaticContact CD1-CE1 3.47Å; Y264-F291 HydrophobicContact CD1-CE1 3.47Å; Y264-F291 VanDerWaalsContact CD1-CE1 3.47Å; Y264-F291 AromaticContact CD1-CZ 3.92Å; Y264-F291 HydrophobicContact CD1-CZ 3.92Å; Y264-F291 AromaticContact CE1-CE1 3.57Å; Y264-F291 HydrophobicContact CE1-CE1 3.57Å; Y264-F291 AromaticContact CE1-CZ 3.72Å; Y264-F291 HydrophobicContact CE1-CZ 3.72Å; Y264-V292 CarbonylContact C-O 3.58Å; Y264-V292 WeakPolarHBondContact CA-O 3.47Å; Y264-V292 WeakPolarHBondContact CB-O 3.48Å; Y264-I293 HydrophobicContact CD1-CB 4.45Å; Y264-I293 HydrophobicContact CD1-CG1 4.25Å; Y264-I293 HydrophobicContact CD2-CG1 4.26Å; Y264-I293 HydrophobicContact CE1-CG1 4.33Å; Y264-I293 HydrophobicContact CE2-CG1 4.33Å; Y264-I293 HydrophobicContact CG-CG1 4.23Å; Y264-E294 HydrophobicContact CE1-CB 4.01Å
265	A	93	Very high	91.9	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.033	19%	0.189	C	C	.	.			trans	-73.3	150.7	176	0	0	0	0	0	111.7	T267 V286 F291 V292	A265-T267 PolarHBondContact O-N 3.01Å; A265-T267 PolarHBondContact O-OG1 2.67Å; A265-T267 VanDerWaalsContact O-OG1 3.11Å; A265-V286 HydrophobicContact CB-CG1 3.83Å; A265-V286 HydrophobicContact CB-CG2 3.85Å; A265-F291 PolarHBondContact N-O 2.85Å; A265-V292 HydrophobicContact CB-CB 4.33Å; A265-V292 HydrophobicContact CB-CG1 4.22Å; A265-V292 HydrophobicContact CB-CG2 4.4Å; A265-V292 PolarHBondContact N-O 3.09Å
266	P	90.4	Very high	91.8	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.039	19%	0.193	C	C	.	.	S	Bend	trans	-54.9	103.8	171.6	15.5	-26.4	0	0	0	112.4	A282 T283 D284 V286	P266-A282 CarbonylContact O-C 3.59Å; P266-A282 WeakPolarHBondContact O-CA 3.29Å; P266-T283 WeakPolarHBondContact CB-OG1 3.26Å; P266-T283 PolarHBondContact O-N 3.38Å; P266-D284 HydrophobicContact CB-CB 3.93Å; P266-D284 WeakPolarHBondContact CB-OD2 3.3Å; P266-D284 HydrophobicContact CG-CB 3.67Å; P266-V286 HydrophobicContact CG-CG2 4.23Å
267	T	93.3	Very high	91.8	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.3	-178	49.6	0	0	0	0	110.5	A265 L280 M281 V292 W339 V378	A265-T267 PolarHBondContact O-N 3.01Å; A265-T267 PolarHBondContact O-OG1 2.67Å; A265-T267 VanDerWaalsContact O-OG1 3.11Å; T267-L280 HydrophobicContact CG2-CD2 4.05Å; T267-L280 HydrophobicContact CG2-CG 4.26Å; T267-M281 CarbonylContact C-O 3.57Å; T267-M281 WeakPolarHBondContact CA-O 3.5Å; T267-V292 HydrophobicContact CG2-CG1 4.02Å; T267-W339 VanDerWaalsContact O-CZ3 3.29Å; T267-W339 WeakPolarHBondContact O-CZ3 3.45Å; T267-V378 HydrophobicContact CG2-CG2 4.07Å
268	R	92.8	Very high	91.8	Very high	85 Å²	85	41.7 Å²	41.7	32%	0.321	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.7	169.8	68.8	178	-174.5	85.1	-15.2	111.5	Y156 M281 T283	Y156-R268 PolarHBondContact OH-NH1 3.03Å; Y156-R268 PolarHBondContact OH-NH2 2.89Å; R268-M281 VanDerWaalsContact CZ-CE 3.42Å; R268-M281 PolarHBondContact N-O 3.37Å; R268-M281 VanDerWaalsContact NH2-CE 3.31Å; R268-M281 PolarHBondContact O-N 2.97Å; R268-T283 HydrophobicContact CB-CG2 3.93Å; R268-T283 HydrophobicContact CG-CG2 3.65Å
269	P	94.3	Very high	92	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	148.3	164.8	-21.4	33.3	0	0	0	111.8	I152 F153 W278 G279 W339 F342	I152-P269 HydrophobicContact CG2-CB 4.14Å; I152-P269 HydrophobicContact CG2-CG 4.36Å; F153-P269 HydrophobicContact CE1-CB 4.02Å; F153-P269 HydrophobicContact CE1-CG 4.31Å; P269-W278 HydrophobicContact CB-CE3 4.18Å; P269-W278 HydrophobicContact CB-CZ3 4.48Å; P269-G279 WeakPolarHBondContact CA-O 3.43Å; P269-W339 HydrophobicContact CG-CD2 4.01Å; P269-W339 HydrophobicContact CG-CG 4.03Å; P269-F342 HydrophobicContact CB-CD2 4.19Å; P269-F342 HydrophobicContact CB-CE2 4.39Å; P269-F342 HydrophobicContact CG-CD2 3.97Å; P269-F342 HydrophobicContact CG-CE2 4.04Å
270	F	94.1	Very high	92.1	Very high	30 Å²	30	41.2 Å²	41.2	13%	0.132	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.8	168.7	79.8	-71.5	0	0	0	109.8	Y156 A272 G279 M281 E377	Y156-F270 HydrophobicContact CE2-CB 4.4Å; Y156-F270 WeakPolarHBondContact OH-CB 3.49Å; F270-A272 HydrophobicContact CD2-CB 4.49Å; F270-A272 HydrophobicContact CE1-CB 4.39Å; F270-A272 HydrophobicContact CE2-CB 3.76Å; F270-A272 HydrophobicContact CZ-CB 3.69Å; F270-A272 PolarHBondContact O-N 3.48Å; F270-G279 VanDerWaalsContact CD1-C 3.4Å; F270-G279 WeakPolarHBondContact CD1-O 3.42Å; F270-G279 VanDerWaalsContact CE1-C 3.44Å; F270-G279 PolarHBondContact N-O 3.49Å; F270-G279 PolarHBondContact O-N 3.06Å; F270-M281 HydrophobicContact CB-CE 4.36Å; F270-M281 HydrophobicContact CD1-CB 3.48Å; F270-M281 VanDerWaalsContact CD1-CB 3.48Å; F270-M281 HydrophobicContact CE1-CB 3.76Å; F270-M281 HydrophobicContact CG-CB 4.15Å; F270-E377 HydrophobicContact CE1-CB 4.18Å; F270-E377 HydrophobicContact CE1-CG 3.86Å; F270-E377 HydrophobicContact CZ-CB 3.94Å; F270-E377 HydrophobicContact CZ-CG 3.83Å
271	Y	95	Very high	92.4	Very high	64 Å²	64	40.6 Å²	40.6	25%	0.251	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	117.7	173.4	-169.6	-121.7	0	0	0	110.2	A159 G273 G277 W278	A159-Y271 HydrophobicContact CB-CD1 4.02Å; A159-Y271 HydrophobicContact CB-CD2 3.51Å; A159-Y271 HydrophobicContact CB-CE1 4.33Å; A159-Y271 HydrophobicContact CB-CE2 3.87Å; A159-Y271 HydrophobicContact CB-CG 3.58Å; Y271-G273 VanDerWaalsContact C-N 3.34Å; Y271-G277 WeakPolarHBondContact CD2-O 3.49Å; Y271-W278 HydrophobicContact CD2-CD2 4.42Å
272	A	93.6	Very high	92.7	Very high	18 Å²	18	38.4 Å²	38.4	15%	0.149	18%	0.184	C	C	.	.			trans	-95.2	16.4	-172.9	0	0	0	0	0	113.4	F270 K276 G277	F270-A272 HydrophobicContact CD2-CB 4.49Å; F270-A272 HydrophobicContact CE1-CB 4.39Å; F270-A272 HydrophobicContact CE2-CB 3.76Å; F270-A272 HydrophobicContact CZ-CB 3.69Å; F270-A272 PolarHBondContact O-N 3.48Å; A272-K276 HydrophobicContact CB-CB 4.15Å; A272-K276 WeakPolarHBondContact O-CE 3.48Å; A272-G277 WeakPolarHBondContact CA-O 3.48Å; A272-G277 PolarHBondContact N-O 3.02Å
273	G	91	Very high	92.8	Very high	29 Å²	29	37.9 Å²	37.9	30%	0.299	19%	0.188	S	C	.	.			trans	97.5	165.1	-179.4	0	0	0	0	0	113.7	Y271 D275 K276 G277	Y271-G273 VanDerWaalsContact C-N 3.34Å; G273-D275 VanDerWaalsContact C-N 3.28Å; G273-D275 PolarHBondContact O-N 3.22Å; G273-K276 PolarHBondContact O-N 3.07Å; G273-G277 WeakPolarHBondContact O-CA 3.42Å; G273-G277 PolarHBondContact O-N 2.93Å
274	K	87.5	Confident	93	Very high	183 Å²	183	39.8 Å²	39.8	80%	0.796	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.1	-172.8	-174.3	-179.5	177	-176.3	0	113.6
275	D	87.5	Confident	93	Very high	101 Å²	101	42 Å²	42	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.1	-172.6	-53.6	-88.4	0	0	0	113.9	G273 Y395	G273-D275 VanDerWaalsContact C-N 3.28Å; G273-D275 PolarHBondContact O-N 3.22Å; D275-Y395 HydrophobicContact CB-CD1 3.71Å; D275-Y395 HydrophobicContact CB-CD2 3.85Å; D275-Y395 HydrophobicContact CB-CE1 3.73Å; D275-Y395 HydrophobicContact CB-CE2 3.9Å; D275-Y395 HydrophobicContact CB-CG 3.74Å
276	K	90.4	Very high	93	Very high	54 Å²	54	42 Å²	42	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-34.8	173.3	-70.1	-169.9	-70.4	-179.1	0	112.9	A272 G273 E377	A272-K276 HydrophobicContact CB-CB 4.15Å; A272-K276 WeakPolarHBondContact O-CE 3.48Å; G273-K276 PolarHBondContact O-N 3.07Å; K276-E377 IonicContact NZ-OE1 2.76Å; K276-E377 IonicContact NZ-OE2 2.93Å; K276-E377 PolarHBondContact NZ-OE2 2.65Å
277	G	92.5	Very high	93.1	Very high	9 Å²	9	46.3 Å²	46.3	9%	0.093	23%	0.232	C	C	.	.			trans	87.1	-131.7	-171.4	0	0	0	0	0	111.7	Y271 A272 G273	Y271-G277 WeakPolarHBondContact CD2-O 3.49Å; A272-G277 WeakPolarHBondContact CA-O 3.48Å; A272-G277 PolarHBondContact N-O 3.02Å; G273-G277 WeakPolarHBondContact O-CA 3.42Å; G273-G277 PolarHBondContact O-N 2.93Å
278	W	94.5	Very high	93.2	Very high	25 Å²	25	52.6 Å²	52.6	10%	0.095	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	143.9	175	-72.8	89.1	0	0	0	111.4	F153 Y156 A159 P160 P269 Y271 F342 N344	F153-W278 HydrophobicContact CB-CH2 4.31Å; F153-W278 HydrophobicContact CB-CZ2 4.36Å; F153-W278 HydrophobicContact CD1-CD2 4.35Å; F153-W278 HydrophobicContact CD1-CE3 4.13Å; F153-W278 AromaticContact CD1-CH2 3.64Å; F153-W278 HydrophobicContact CD1-CH2 3.64Å; F153-W278 AromaticContact CD1-CZ2 3.79Å; F153-W278 HydrophobicContact CD1-CZ2 3.79Å; F153-W278 AromaticContact CD1-CZ3 3.79Å; F153-W278 HydrophobicContact CD1-CZ3 3.79Å; F153-W278 HydrophobicContact CE1-CD2 4.48Å; F153-W278 HydrophobicContact CE1-CE3 4.26Å; F153-W278 HydrophobicContact CE1-CZ3 4.3Å; F153-W278 HydrophobicContact CG-CH2 4.46Å; Y156-W278 AromaticContact CD2-CH2 3.73Å; Y156-W278 HydrophobicContact CD2-CH2 3.73Å; Y156-W278 AromaticContact CD2-CZ3 3.79Å; Y156-W278 HydrophobicContact CD2-CZ3 3.79Å; Y156-W278 HydrophobicContact CE2-CZ3 4.3Å; Y156-W278 HydrophobicContact CG-CH2 4.03Å; Y156-W278 HydrophobicContact CG-CZ3 4.33Å; A159-W278 HydrophobicContact CB-CH2 4.12Å; A159-W278 HydrophobicContact CB-CZ2 3.52Å; P160-W278 PolarHBondContact O-NE1 2.96Å; P269-W278 HydrophobicContact CB-CE3 4.18Å; P269-W278 HydrophobicContact CB-CZ3 4.48Å; Y271-W278 HydrophobicContact CD2-CD2 4.42Å; W278-F342 HydrophobicContact CB-CD1 3.59Å; W278-F342 HydrophobicContact CB-CE1 4.07Å; W278-F342 HydrophobicContact CB-CG 4.3Å; W278-F342 HydrophobicContact CG-CD1 4.35Å; W278-F342 HydrophobicContact CG-CE1 4.37Å; W278-N344 PolarHBondContact O-ND2 3.03Å
279	G	95.3	Very high	93.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	170.5	171.5	0	0	0	0	0	111.9	P269 F270 F342 N344	P269-G279 WeakPolarHBondContact CA-O 3.43Å; F270-G279 VanDerWaalsContact CD1-C 3.4Å; F270-G279 WeakPolarHBondContact CD1-O 3.42Å; F270-G279 VanDerWaalsContact CE1-C 3.44Å; F270-G279 PolarHBondContact N-O 3.49Å; F270-G279 PolarHBondContact O-N 3.06Å; G279-F342 CarbonylContact C-O 3.58Å; G279-F342 WeakPolarHBondContact CA-O 3.41Å; G279-N344 WeakPolarHBondContact CA-ND2 3.42Å
280	L	96	Very high	93.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	168.8	-168.3	74.3	0	0	0	108.8	T267 W339 F342 V343 V378	T267-L280 HydrophobicContact CG2-CD2 4.05Å; T267-L280 HydrophobicContact CG2-CG 4.26Å; L280-W339 HydrophobicContact CD1-CB 3.98Å; L280-F342 HydrophobicContact CB-CB 4.42Å; L280-F342 PolarHBondContact N-O 3.24Å; L280-V343 HydrophobicContact CB-CG2 3.92Å; L280-V343 HydrophobicContact CD2-CG2 3.5Å; L280-V343 HydrophobicContact CG-CG2 4.34Å; L280-V378 HydrophobicContact CB-CB 4.38Å; L280-V378 HydrophobicContact CD2-CB 4.43Å; L280-V378 HydrophobicContact CD2-CG2 4.47Å; L280-V378 PolarHBondContact O-N 3.43Å
281	M	95.7	Very high	93.1	Very high	28 Å²	28	50.2 Å²	50.2	14%	0.138	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.7	-175.9	179.8	172.7	68.5	0	0	111	T267 R268 F270 Q376	T267-M281 CarbonylContact C-O 3.57Å; T267-M281 WeakPolarHBondContact CA-O 3.5Å; R268-M281 VanDerWaalsContact CZ-CE 3.42Å; R268-M281 PolarHBondContact N-O 3.37Å; R268-M281 VanDerWaalsContact NH2-CE 3.31Å; R268-M281 PolarHBondContact O-N 2.97Å; F270-M281 HydrophobicContact CB-CE 4.36Å; F270-M281 HydrophobicContact CD1-CB 3.48Å; F270-M281 VanDerWaalsContact CD1-CB 3.48Å; F270-M281 HydrophobicContact CE1-CB 3.76Å; F270-M281 HydrophobicContact CG-CB 4.15Å; M281-Q376 WeakPolarHBondContact CA-O 3.29Å; M281-Q376 WeakPolarHBondContact CG-O 3.49Å
282	A	94.9	Very high	93.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.6	175.5	0	0	0	0	0	111.4	P266 V286 I372 G375 Q376	P266-A282 CarbonylContact O-C 3.59Å; P266-A282 WeakPolarHBondContact O-CA 3.29Å; A282-V286 HydrophobicContact CB-CG2 4.25Å; A282-I372 HydrophobicContact CB-CG2 4.01Å; A282-G375 PolarHBondContact O-N 3.05Å; A282-Q376 PolarHBondContact N-O 3.09Å
283	T	93.4	Very high	93.2	Very high	53 Å²	53	46.6 Å²	46.6	33%	0.325	25%	0.248	S	C	.	.	S	Bend	trans	-98.8	-18.2	176.7	65.6	0	0	0	0	113.5	P266 R268 S374	P266-T283 WeakPolarHBondContact CB-OG1 3.26Å; P266-T283 PolarHBondContact O-N 3.38Å; R268-T283 HydrophobicContact CB-CG2 3.93Å; R268-T283 HydrophobicContact CG-CG2 3.65Å; T283-S374 PolarHBondContact O-OG 3.24Å
284	D	94.2	Very high	93.5	Very high	72 Å²	72	45.2 Å²	45.2	39%	0.385	23%	0.234	S	C	.	.	S	Bend	trans	-140.5	165.5	171.6	-50.2	-104.2	0	0	0	108.1	R121 P266 V286	R121-D284 IonicContact CZ-OD2 2.71Å; R121-D284 VanDerWaalsContact NH2-CG 3.34Å; R121-D284 IonicContact NH2-OD1 3.21Å; R121-D284 IonicContact NH2-OD2 3.8Å; R121-D284 PolarHBondContact NH2-OD2 2.99Å; P266-D284 HydrophobicContact CB-CB 3.93Å; P266-D284 WeakPolarHBondContact CB-OD2 3.3Å; P266-D284 HydrophobicContact CG-CB 3.67Å; D284-V286 WeakPolarHBondContact O-CG2 3.43Å; D284-V286 PolarHBondContact O-N 3.11Å
285	N	93.5	Very high	93.9	Very high	105 Å²	105	37.1 Å²	37.1	56%	0.561	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-63	121.8	178.7	-61.7	-3.3	0	0	0	111.3	Y116 I372 S374	Y116-N285 PolarHBondContact OH-O 2.8Å; N285-I372 WeakPolarHBondContact CA-O 3.46Å; N285-S374 PolarHBondContact OD1-N 3.46Å
286	V	92.8	Very high	94.2	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-102.4	125.6	178.3	-175.3	0	0	0	0	108.7	A265 P266 A282 D284 V292 A368 I372	A265-V286 HydrophobicContact CB-CG1 3.83Å; A265-V286 HydrophobicContact CB-CG2 3.85Å; P266-V286 HydrophobicContact CG-CG2 4.23Å; A282-V286 HydrophobicContact CB-CG2 4.25Å; D284-V286 WeakPolarHBondContact O-CG2 3.43Å; D284-V286 PolarHBondContact O-N 3.11Å; V286-V292 HydrophobicContact CG1-CG2 4.45Å; V286-A368 HydrophobicContact CG1-CB 4.25Å; V286-I372 HydrophobicContact CB-CB 4.29Å; V286-I372 PolarHBondContact N-O 3.18Å; V286-I372 PolarHBondContact O-N 2.85Å
287	K	93.9	Very high	94.4	Very high	96 Å²	96	29.8 Å²	29.8	42%	0.417	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-80.8	150.9	-178.8	-66.9	-162.9	177.1	-166.6	0	112.9	Y116 G289 S290 D371	Y116-K287 HydrophobicContact CD2-CD 3.93Å; Y116-K287 HydrophobicContact CD2-CG 4.09Å; Y116-K287 HydrophobicContact CE2-CG 4.18Å; Y116-K287 HydrophobicContact CG-CD 3.99Å; Y116-K287 HydrophobicContact CG-CG 4.3Å; K287-G289 PolarHBondContact O-N 3.15Å; K287-S290 PolarHBondContact N-OG 3.34Å; K287-S290 WeakPolarHBondContact O-CB 3.43Å; K287-S290 PolarHBondContact O-N 3.46Å; K287-S290 PolarHBondContact O-OG 3.18Å; K287-D371 WeakPolarHBondContact CA-OD1 3.43Å
288	K	95.5	Very high	94.5	Very high	148 Å²	148	30.2 Å²	30.2	64%	0.643	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.7	133.9	167.7	-179.6	166.7	-177.7	154.7	0	111.5	S290 K369 E370 D371	K288-S290 VanDerWaalsContact C-N 3.25Å; K288-S290 PolarHBondContact O-N 3.37Å; K288-K369 WeakPolarHBondContact CD-O 3.34Å; K288-K369 WeakPolarHBondContact CE-O 3.08Å; K288-K369 WeakPolarHBondContact CG-O 3.33Å; K288-K369 PolarHBondContact NZ-O 3.06Å; K288-E370 WeakPolarHBondContact CA-O 3.35Å; K288-E370 PolarHBondContact N-O 2.87Å; K288-D371 PolarHBondContact N-OD1 2.69Å
289	G	90.5	Very high	94.3	Very high	51 Å²	51	29 Å²	29	53%	0.526	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-3.2	-176.4	0	0	0	0	0	115.1	K287 A368	K287-G289 PolarHBondContact O-N 3.15Å; G289-A368 PolarHBondContact N-O 3.31Å
290	S	93.4	Very high	94	Very high	13 Å²	13	29 Å²	29	9%	0.091	16%	0.157	C	C	.	.			trans	-66.7	139.1	174.7	-57.9	0	0	0	0	111	K287 K288 V292 F367 A368	K287-S290 PolarHBondContact N-OG 3.34Å; K287-S290 WeakPolarHBondContact O-CB 3.43Å; K287-S290 PolarHBondContact O-N 3.46Å; K287-S290 PolarHBondContact O-OG 3.18Å; K288-S290 VanDerWaalsContact C-N 3.25Å; K288-S290 PolarHBondContact O-N 3.37Å; S290-V292 PolarHBondContact O-N 3.38Å; S290-F367 WeakPolarHBondContact O-CA 3.28Å; S290-A368 PolarHBondContact O-N 3.5Å
291	F	94.6	Very high	93.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121	166	178.8	-133	0	0	0	109.3	Q258 F259 Y264 A265 E294 F367	Q258-F291 HydrophobicContact CB-CB 4.4Å; Q258-F291 HydrophobicContact CB-CD1 3.77Å; Q258-F291 HydrophobicContact CB-CE1 4.35Å; Q258-F291 HydrophobicContact CB-CG 4.32Å; Q258-F291 HydrophobicContact CG-CB 4.14Å; Q258-F291 HydrophobicContact CG-CD1 3.77Å; Q258-F291 HydrophobicContact CG-CE1 4.25Å; Q258-F291 HydrophobicContact CG-CG 3.96Å; Q258-F291 VanDerWaalsContact O-CE1 3.31Å; Q258-F291 WeakPolarHBondContact O-CE1 3.41Å; F259-F291 HydrophobicContact CD1-CE1 4.49Å; F259-F291 AromaticContact CD1-CE2 4Å; F259-F291 HydrophobicContact CD1-CE2 4Å; F259-F291 AromaticContact CD1-CZ 3.57Å; F259-F291 HydrophobicContact CD1-CZ 3.57Å; F259-F291 HydrophobicContact CD2-CE2 4.31Å; F259-F291 HydrophobicContact CD2-CZ 4.1Å; F259-F291 AromaticContact CE1-CE2 3.61Å; F259-F291 HydrophobicContact CE1-CE2 3.61Å; F259-F291 AromaticContact CE1-CZ 3.69Å; F259-F291 HydrophobicContact CE1-CZ 3.69Å; F259-F291 HydrophobicContact CE2-CD2 4.4Å; F259-F291 AromaticContact CE2-CE2 3.94Å; F259-F291 HydrophobicContact CE2-CE2 3.94Å; F259-F291 HydrophobicContact CE2-CZ 4.2Å; F259-F291 HydrophobicContact CG-CE1 4.33Å; F259-F291 HydrophobicContact CG-CE2 4.34Å; F259-F291 AromaticContact CG-CZ 3.79Å; F259-F291 HydrophobicContact CG-CZ 3.79Å; F259-F291 HydrophobicContact CZ-CD2 4.31Å; F259-F291 AromaticContact CZ-CE2 3.58Å; F259-F291 HydrophobicContact CZ-CE2 3.58Å; F259-F291 HydrophobicContact CZ-CZ 4.01Å; Y264-F291 HydrophobicContact CD1-CD1 4.14Å; Y264-F291 AromaticContact CD1-CE1 3.47Å; Y264-F291 HydrophobicContact CD1-CE1 3.47Å; Y264-F291 VanDerWaalsContact CD1-CE1 3.47Å; Y264-F291 AromaticContact CD1-CZ 3.92Å; Y264-F291 HydrophobicContact CD1-CZ 3.92Å; Y264-F291 AromaticContact CE1-CE1 3.57Å; Y264-F291 HydrophobicContact CE1-CE1 3.57Å; Y264-F291 AromaticContact CE1-CZ 3.72Å; Y264-F291 HydrophobicContact CE1-CZ 3.72Å; A265-F291 PolarHBondContact N-O 2.85Å; F291-E294 HydrophobicContact CZ-CB 4.14Å; F291-F367 HydrophobicContact CB-CD1 4.13Å; F291-F367 HydrophobicContact CB-CE1 3.64Å; F291-F367 HydrophobicContact CB-CZ 4.16Å; F291-F367 HydrophobicContact CD2-CD1 4.45Å; F291-F367 HydrophobicContact CD2-CD2 4.42Å; F291-F367 AromaticContact CD2-CE1 3.84Å; F291-F367 HydrophobicContact CD2-CE1 3.84Å; F291-F367 AromaticContact CD2-CE2 3.79Å; F291-F367 HydrophobicContact CD2-CE2 3.79Å; F291-F367 AromaticContact CD2-CZ 3.46Å; F291-F367 HydrophobicContact CD2-CZ 3.46Å; F291-F367 VanDerWaalsContact CD2-CZ 3.46Å; F291-F367 HydrophobicContact CE2-CE2 4.3Å; F291-F367 HydrophobicContact CE2-CZ 4.2Å; F291-F367 HydrophobicContact CG-CE1 4.14Å; F291-F367 HydrophobicContact CG-CZ 4.14Å
292	V	95.7	Very high	92.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-60	-178.2	-178.1	0	0	0	0	110.1	Y264 A265 T267 V286 S290 F366 A368 V378	Y264-V292 CarbonylContact C-O 3.58Å; Y264-V292 WeakPolarHBondContact CA-O 3.47Å; Y264-V292 WeakPolarHBondContact CB-O 3.48Å; A265-V292 HydrophobicContact CB-CB 4.33Å; A265-V292 HydrophobicContact CB-CG1 4.22Å; A265-V292 HydrophobicContact CB-CG2 4.4Å; A265-V292 PolarHBondContact N-O 3.09Å; T267-V292 HydrophobicContact CG2-CG1 4.02Å; V286-V292 HydrophobicContact CG1-CG2 4.45Å; S290-V292 PolarHBondContact O-N 3.38Å; V292-F366 HydrophobicContact CB-CB 4.38Å; V292-F366 WeakPolarHBondContact CB-O 3.36Å; V292-F366 PolarHBondContact N-O 3.03Å; V292-A368 HydrophobicContact CG2-CB 4.34Å; V292-V378 HydrophobicContact CG1-CG1 4.11Å
293	I	95.2	Very high	91.8	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	150.2	-179.7	-166	160.8	0	0	0	111.3	Y264 W339 A340 G365 F366	Y264-I293 HydrophobicContact CD1-CB 4.45Å; Y264-I293 HydrophobicContact CD1-CG1 4.25Å; Y264-I293 HydrophobicContact CD2-CG1 4.26Å; Y264-I293 HydrophobicContact CE1-CG1 4.33Å; Y264-I293 HydrophobicContact CE2-CG1 4.33Å; Y264-I293 HydrophobicContact CG-CG1 4.23Å; I293-W339 HydrophobicContact CD1-CB 3.94Å; I293-A340 HydrophobicContact CB-CB 4.48Å; I293-A340 HydrophobicContact CD1-CB 4.21Å; I293-A340 HydrophobicContact CG1-CB 4.16Å; I293-A340 HydrophobicContact CG2-CB 3.59Å; I293-G365 WeakPolarHBondContact O-CA 3.43Å; I293-F366 HydrophobicContact CG2-CD2 3.73Å; I293-F366 HydrophobicContact CG2-CE2 4.49Å; I293-F366 PolarHBondContact O-N 3.33Å
294	E	96.4	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.8	166.9	-174.4	178.3	142.1	0	0	109.1	N170 F259 Y264 F291 V296 N338 A340 R363 I364	N170-E294 PolarHBondContact ND2-OE1 2.85Å; F259-E294 HydrophobicContact CD1-CB 4Å; F259-E294 HydrophobicContact CD1-CG 3.84Å; F259-E294 WeakPolarHBondContact CD1-OE2 3.27Å; F259-E294 HydrophobicContact CE1-CB 4.22Å; F259-E294 HydrophobicContact CE1-CG 4.05Å; Y264-E294 HydrophobicContact CE1-CB 4.01Å; F291-E294 HydrophobicContact CZ-CB 4.14Å; E294-V296 HydrophobicContact CB-CG2 3.98Å; E294-V296 HydrophobicContact CG-CG2 3.69Å; E294-V296 PolarHBondContact O-N 3.41Å; E294-N338 PolarHBondContact O-ND2 2.85Å; E294-N338 PolarHBondContact O-OD1 3.05Å; E294-A340 WeakPolarHBondContact O-CB 3.37Å; E294-R363 IonicContact OE1-CZ 3.9Å; E294-R363 IonicContact OE1-NE 2.65Å; E294-R363 IonicContact OE1-NH1 3.84Å; E294-R363 PolarHBondContact OE1-NH1 3.2Å; E294-R363 WeakPolarHBondContact OE2-CD 3.27Å; E294-R363 IonicContact OE2-CZ 3.03Å; E294-R363 IonicContact OE2-NH1 3.87Å; E294-R363 PolarHBondContact OE2-NH1 3.4Å; E294-I364 CarbonylContact C-O 3.21Å; E294-I364 WeakPolarHBondContact CA-O 3.29Å
295	Y	95.9	Very high	91	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.051	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.5	167.4	-163.4	-99.1	0	0	0	108.7	N170 Y321 M323 I331 A333 A340 I364 F366	N170-Y295 PolarHBondContact ND2-O 2.96Å; Y295-Y321 PolarHBondContact OH-O 3.48Å; Y295-M323 HydrophobicContact CD1-CB 4.06Å; Y295-M323 HydrophobicContact CD1-CE 4.03Å; Y295-M323 HydrophobicContact CD1-SD 3.77Å; Y295-M323 HydrophobicContact CD2-CE 3.96Å; Y295-M323 HydrophobicContact CD2-SD 4.48Å; Y295-M323 HydrophobicContact CE1-CB 3.74Å; Y295-M323 HydrophobicContact CE1-CE 4.01Å; Y295-M323 HydrophobicContact CE1-SD 4.19Å; Y295-M323 HydrophobicContact CE2-CE 3.92Å; Y295-M323 HydrophobicContact CG-CE 4Å; Y295-M323 HydrophobicContact CG-SD 3.93Å; Y295-I331 HydrophobicContact CD1-CB 4.25Å; Y295-I331 HydrophobicContact CD1-CD1 4.27Å; Y295-I331 HydrophobicContact CD1-CG2 3.76Å; Y295-I331 HydrophobicContact CE1-CB 4.33Å; Y295-I331 HydrophobicContact CE1-CG2 3.77Å; Y295-A333 HydrophobicContact CE1-CB 3.93Å; Y295-A340 HydrophobicContact CD2-CB 3.7Å; Y295-A340 HydrophobicContact CE2-CB 4.45Å; Y295-A340 HydrophobicContact CG-CB 4.44Å; Y295-I364 PolarHBondContact N-O 2.64Å; Y295-F366 HydrophobicContact CD2-CE1 4.39Å; Y295-F366 AromaticContact CD2-CE2 3.81Å; Y295-F366 HydrophobicContact CD2-CE2 3.81Å; Y295-F366 AromaticContact CD2-CZ 3.44Å; Y295-F366 HydrophobicContact CD2-CZ 3.44Å; Y295-F366 VanDerWaalsContact CD2-CZ 3.44Å; Y295-F366 HydrophobicContact CE2-CZ 4.11Å; Y295-F366 HydrophobicContact CG-CZ 4.17Å
296	V	94.8	Very high	90.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.			trans	-120.3	133.6	-171.6	171.4	0	0	0	0	110.7	L167 N169 N170 E294 A333 G337 N338	L167-V296 HydrophobicContact CB-CG1 3.53Å; L167-V296 HydrophobicContact CD1-CG1 4.11Å; L167-V296 HydrophobicContact CG-CG1 4.48Å; N169-V296 VanDerWaalsContact C-CG1 3.42Å; N169-V296 VanDerWaalsContact O-CG1 3.22Å; N169-V296 WeakPolarHBondContact O-CG1 3.27Å; N170-V296 WeakPolarHBondContact OD1-CA 3.35Å; E294-V296 HydrophobicContact CB-CG2 3.98Å; E294-V296 HydrophobicContact CG-CG2 3.69Å; E294-V296 PolarHBondContact O-N 3.41Å; V296-A333 WeakPolarHBondContact O-CB 3.08Å; V296-G337 WeakPolarHBondContact O-CA 3.42Å; V296-N338 HydrophobicContact CB-CB 4.13Å; V296-N338 WeakPolarHBondContact CG2-ND2 3.26Å; V296-N338 PolarHBondContact O-N 3.41Å
297	G	94.1	Very high	90.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-159	169.2	0	0	0	0	0	112.8	N170 D171 D332 K336	N170-G297 PolarHBondContact OD1-N 3.15Å; N170-G297 PolarHBondContact OD1-O 2.94Å; D171-G297 PolarHBondContact N-O 3Å; G297-D332 WeakPolarHBondContact CA-O 3.26Å; G297-K336 VanDerWaalsContact CA-O 3.31Å; G297-K336 WeakPolarHBondContact CA-O 3.47Å
298	E	93.8	Very high	89.8	Confident	18 Å²	18	36.4 Å²	36.4	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.7	170.4	-64.4	-171.5	106.2	0	0	110.2	I300 R308 I331 D332 S335 K336	E298-I300 HydrophobicContact CB-CG2 4.34Å; E298-R308 VanDerWaalsContact CD-NH2 3.35Å; E298-R308 IonicContact OE1-NH2 3.9Å; E298-R308 IonicContact OE2-CZ 3.74Å; E298-R308 VanDerWaalsContact OE2-CZ 3.23Å; E298-R308 IonicContact OE2-NH1 3.06Å; E298-R308 PolarHBondContact OE2-NH1 2.65Å; E298-R308 IonicContact OE2-NH2 3.32Å; E298-R308 PolarHBondContact OE2-NH2 2.86Å; E298-I331 CarbonylContact O-C 3.54Å; E298-I331 WeakPolarHBondContact O-CA 3.35Å; E298-D332 PolarHBondContact N-O 3.17Å; E298-D332 PolarHBondContact O-N 3.31Å; E298-S335 PolarHBondContact OE2-OG 3.41Å; E298-K336 HydrophobicContact CG-CB 4.11Å; E298-K336 HydrophobicContact CG-CD 3.67Å; E298-K336 HydrophobicContact CG-CG 3.92Å; E298-K336 WeakPolarHBondContact OE1-CE 3.32Å; E298-K336 IonicContact OE1-NZ 3.57Å; E298-K336 PolarHBondContact OE1-NZ 3.41Å
299	V	91.3	Very high	89.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.2	179	-161.9	0	0	0	0	109.6	N170 D171 Y172 L175 R329 F330 I331	N170-V299 HydrophobicContact CB-CG2 3.93Å; D171-V299 PolarHBondContact O-N 3.13Å; Y172-V299 HydrophobicContact CD1-CB 3.72Å; Y172-V299 HydrophobicContact CD1-CG1 3.96Å; Y172-V299 HydrophobicContact CD1-CG2 3.73Å; Y172-V299 HydrophobicContact CD2-CG2 4.42Å; Y172-V299 HydrophobicContact CE1-CB 3.96Å; Y172-V299 HydrophobicContact CE1-CG1 3.82Å; Y172-V299 HydrophobicContact CE1-CG2 3.69Å; Y172-V299 HydrophobicContact CE2-CG2 4.39Å; Y172-V299 HydrophobicContact CG-CB 4.37Å; Y172-V299 HydrophobicContact CG-CG2 4.11Å; L175-V299 HydrophobicContact CD1-CB 4Å; L175-V299 HydrophobicContact CD1-CG1 3.63Å; L175-V299 WeakPolarHBondContact CD1-O 3.28Å; V299-R329 HydrophobicContact CG1-CB 4.42Å; V299-F330 CarbonylContact C-O 2.95Å; V299-F330 WeakPolarHBondContact CA-O 3.43Å; V299-I331 HydrophobicContact CG2-CG1 4.24Å
300	I	88	Confident	88.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.7	-168.7	65	179.8	0	0	0	111.5	L174 E298 E304 F305 F322 R329 F330 D332	L174-I300 HydrophobicContact CD1-CG2 3.73Å; E298-I300 HydrophobicContact CB-CG2 4.34Å; I300-E304 HydrophobicContact CB-CB 4.02Å; I300-E304 HydrophobicContact CB-CG 3.64Å; I300-E304 HydrophobicContact CD1-CG 4.19Å; I300-E304 HydrophobicContact CG1-CG 4.43Å; I300-E304 HydrophobicContact CG2-CG 3.65Å; I300-F305 HydrophobicContact CD1-CB 3.98Å; I300-F305 HydrophobicContact CG1-CB 4.35Å; I300-F322 HydrophobicContact CD1-CD1 4.46Å; I300-F322 HydrophobicContact CD1-CE1 4.16Å; I300-R329 WeakPolarHBondContact O-CA 3.48Å; I300-F330 HydrophobicContact CD1-CB 4.5Å; I300-F330 HydrophobicContact CG1-CB 3.94Å; I300-F330 WeakPolarHBondContact CG1-O 3.44Å; I300-F330 PolarHBondContact N-O 3.15Å; I300-F330 PolarHBondContact O-N 3.1Å; I300-D332 HydrophobicContact CD1-CB 4.04Å
301	D	83.7	Confident	88.3	Confident	52 Å²	52	40.8 Å²	40.8	28%	0.278	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	173	171	65.6	50.8	0	0	0	112.7	L175 S303 E304 F305 D328	L175-D301 HydrophobicContact CD2-CB 4.22Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.13Å; D301-S303 WeakPolarHBondContact OD1-CA 3.3Å; D301-S303 VanDerWaalsContact OD1-CB 3.27Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 3.41Å; D301-E304 PolarHBondContact O-N 3.35Å; D301-E304 PolarHBondContact OD1-N 3.22Å; D301-F305 VanDerWaalsContact O-CB 3.27Å; D301-F305 WeakPolarHBondContact O-CB 3.37Å; D301-F305 PolarHBondContact O-N 3.19Å; D301-D328 CarbonylContact C-O 3.58Å; D301-D328 VanDerWaalsContact CA-O 3.31Å; D301-D328 WeakPolarHBondContact CA-O 3.48Å
302	F	77.7	Confident	87.8	Confident	87 Å²	87	42.2 Å²	42.2	38%	0.382	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-31.2	178.4	-174.9	-117.7	0	0	0	114.4	F305 R306 D328 F330	F302-F305 AromaticContact CD2-CD1 3.88Å; F302-F305 HydrophobicContact CD2-CD1 3.88Å; F302-F305 HydrophobicContact CD2-CE1 4.4Å; F302-F305 HydrophobicContact CE2-CD1 4.2Å; F302-F305 HydrophobicContact CE2-CE1 4.36Å; F302-R306 HydrophobicContact CE2-CG 4.37Å; F302-R306 HydrophobicContact CZ-CG 4.34Å; F302-R306 WeakPolarHBondContact O-CB 3.3Å; F302-R306 VanDerWaalsContact O-CG 3.26Å; F302-R306 WeakPolarHBondContact O-CG 3.39Å; F302-R306 PolarHBondContact O-N 2.96Å; F302-D328 PolarHBondContact N-O 3.26Å; F302-F330 HydrophobicContact CB-CE2 4.07Å; F302-F330 AromaticContact CD2-CE2 3.86Å; F302-F330 HydrophobicContact CD2-CE2 3.86Å; F302-F330 AromaticContact CD2-CZ 3.97Å; F302-F330 HydrophobicContact CD2-CZ 3.97Å; F302-F330 HydrophobicContact CG-CE2 4.47Å
303	S	80.2	Confident	87	Confident	62 Å²	62	46.3 Å²	46.3	43%	0.434	20%	0.198	S	C	.	.	H	α-helix	trans	-72.5	-43.3	178.5	-71.9	0	0	0	0	111	D301 R306 R307	D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.13Å; D301-S303 WeakPolarHBondContact OD1-CA 3.3Å; D301-S303 VanDerWaalsContact OD1-CB 3.27Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 3.41Å; S303-R306 PolarHBondContact O-N 3.26Å; S303-R307 PolarHBondContact O-N 3.35Å
304	E	87	Confident	86.4	Confident	23 Å²	23	55.4 Å²	55.4	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-42.9	173.6	174.6	60.9	174	0	0	111.7	I300 D301 R306 R307 R308	I300-E304 HydrophobicContact CB-CB 4.02Å; I300-E304 HydrophobicContact CB-CG 3.64Å; I300-E304 HydrophobicContact CD1-CG 4.19Å; I300-E304 HydrophobicContact CG1-CG 4.43Å; I300-E304 HydrophobicContact CG2-CG 3.65Å; D301-E304 PolarHBondContact O-N 3.35Å; D301-E304 PolarHBondContact OD1-N 3.22Å; E304-R306 VanDerWaalsContact C-N 3.33Å; E304-R306 PolarHBondContact O-N 2.98Å; E304-R307 CarbonylContact O-C 3.51Å; E304-R307 WeakPolarHBondContact O-CA 3.24Å; E304-R307 WeakPolarHBondContact O-CB 3.36Å; E304-R307 PolarHBondContact O-N 2.81Å; E304-R307 IonicContact OE1-CZ 2.76Å; E304-R307 IonicContact OE1-NE 3.21Å; E304-R307 IonicContact OE1-NH2 2.68Å; E304-R307 PolarHBondContact OE1-NH2 3.29Å; E304-R307 IonicContact OE2-CZ 2.88Å; E304-R307 IonicContact OE2-NE 2.83Å; E304-R307 PolarHBondContact OE2-NE 3.12Å; E304-R307 IonicContact OE2-NH2 2.73Å; E304-R307 PolarHBondContact OE2-NH2 3.43Å; E304-R308 HydrophobicContact CG-CG 4.34Å; E304-R308 WeakPolarHBondContact O-CG 3.4Å; E304-R308 PolarHBondContact O-N 3.37Å; E304-R308 IonicContact OE1-CZ 3.19Å; E304-R308 IonicContact OE1-NE 2.74Å; E304-R308 PolarHBondContact OE1-NE 3.12Å; E304-R308 IonicContact OE1-NH2 2.71Å; E304-R308 PolarHBondContact OE1-NH2 3.33Å
305	F	83.1	Confident	85.9	Confident	4 Å²	4	60 Å²	60	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-53.4	-47.7	172.5	169.4	-111.6	0	0	0	111.9	I300 D301 F302 R307 R308 I309 F322 F330 Y387	I300-F305 HydrophobicContact CD1-CB 3.98Å; I300-F305 HydrophobicContact CG1-CB 4.35Å; D301-F305 VanDerWaalsContact O-CB 3.27Å; D301-F305 WeakPolarHBondContact O-CB 3.37Å; D301-F305 PolarHBondContact O-N 3.19Å; F302-F305 AromaticContact CD2-CD1 3.88Å; F302-F305 HydrophobicContact CD2-CD1 3.88Å; F302-F305 HydrophobicContact CD2-CE1 4.4Å; F302-F305 HydrophobicContact CE2-CD1 4.2Å; F302-F305 HydrophobicContact CE2-CE1 4.36Å; F305-R307 VanDerWaalsContact C-N 3.32Å; F305-R307 PolarHBondContact O-N 3.29Å; F305-R308 PolarHBondContact O-N 2.74Å; F305-I309 HydrophobicContact CD1-CD1 4.25Å; F305-I309 HydrophobicContact CD2-CD1 4.1Å; F305-I309 HydrophobicContact CD2-CG1 4.49Å; F305-I309 HydrophobicContact CE1-CD1 3.76Å; F305-I309 HydrophobicContact CE2-CD1 3.59Å; F305-I309 HydrophobicContact CE2-CG1 4.25Å; F305-I309 HydrophobicContact CG-CD1 4.41Å; F305-I309 HydrophobicContact CZ-CD1 3.42Å; F305-I309 VanDerWaalsContact CZ-CD1 3.42Å; F305-I309 PolarHBondContact O-N 3.28Å; F305-F322 HydrophobicContact CD2-CB 4.44Å; F305-F322 AromaticContact CD2-CD1 3.79Å; F305-F322 HydrophobicContact CD2-CD1 3.79Å; F305-F322 HydrophobicContact CD2-CD2 4.5Å; F305-F322 HydrophobicContact CD2-CE1 4.08Å; F305-F322 HydrophobicContact CD2-CG 4.01Å; F305-F322 HydrophobicContact CE2-CB 3.87Å; F305-F322 HydrophobicContact CE2-CD1 4.01Å; F305-F322 HydrophobicContact CE2-CD2 4.05Å; F305-F322 AromaticContact CE2-CG 3.73Å; F305-F322 HydrophobicContact CE2-CG 3.73Å; F305-F330 HydrophobicContact CB-CD2 3.79Å; F305-F330 HydrophobicContact CB-CE2 4.29Å; F305-F330 HydrophobicContact CB-CG 4.18Å; F305-F330 HydrophobicContact CD1-CD1 4.41Å; F305-F330 HydrophobicContact CD1-CD2 4.16Å; F305-F330 HydrophobicContact CD1-CE1 4.22Å; F305-F330 AromaticContact CD1-CE2 3.99Å; F305-F330 HydrophobicContact CD1-CE2 3.99Å; F305-F330 HydrophobicContact CD1-CG 4.4Å; F305-F330 HydrophobicContact CD1-CZ 4.02Å; F305-F330 HydrophobicContact CD2-CB 4.16Å; F305-F330 AromaticContact CD2-CD1 4Å; F305-F330 HydrophobicContact CD2-CD1 4Å; F305-F330 HydrophobicContact CD2-CD2 4.28Å; F305-F330 AromaticContact CD2-CG 3.86Å; F305-F330 HydrophobicContact CD2-CG 3.86Å; F305-F330 HydrophobicContact CE1-CD1 4.35Å; F305-F330 AromaticContact CE1-CE1 3.97Å; F305-F330 HydrophobicContact CE1-CE1 3.97Å; F305-F330 HydrophobicContact CE1-CZ 4.08Å; F305-F330 AromaticContact CE2-CD1 3.93Å; F305-F330 HydrophobicContact CE2-CD1 3.93Å; F305-F330 HydrophobicContact CE2-CE1 4.32Å; F305-F330 HydrophobicContact CE2-CG 4.27Å; F305-F330 HydrophobicContact CG-CD1 4.23Å; F305-F330 AromaticContact CG-CD2 3.85Å; F305-F330 HydrophobicContact CG-CD2 3.85Å; F305-F330 HydrophobicContact CG-CE1 4.48Å; F305-F330 HydrophobicContact CG-CE2 4.16Å; F305-F330 AromaticContact CG-CG 3.91Å; F305-F330 HydrophobicContact CG-CG 3.91Å; F305-F330 HydrophobicContact CG-CZ 4.47Å; F305-F330 HydrophobicContact CZ-CD1 4.1Å; F305-F330 HydrophobicContact CZ-CE1 4.01Å; F305-Y387 HydrophobicContact CE1-CE1 4.43Å; F305-Y387 HydrophobicContact CZ-CD2 4.43Å; F305-Y387 HydrophobicContact CZ-CE1 4.29Å; F305-Y387 AromaticContact CZ-CE2 3.84Å; F305-Y387 HydrophobicContact CZ-CE2 3.84Å; F305-Y387 AromaticContact CZ-CZ 3.77Å
306	R	80.9	Confident	84.9	Confident	102 Å²	102	62.5 Å²	62.5	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-30.6	173.8	-70.6	172.3	80.2	-164.6	9.9	113.3	F302 S303 E304 R310	F302-R306 HydrophobicContact CE2-CG 4.37Å; F302-R306 HydrophobicContact CZ-CG 4.34Å; F302-R306 WeakPolarHBondContact O-CB 3.3Å; F302-R306 VanDerWaalsContact O-CG 3.26Å; F302-R306 WeakPolarHBondContact O-CG 3.39Å; F302-R306 PolarHBondContact O-N 2.96Å; S303-R306 PolarHBondContact O-N 3.26Å; E304-R306 VanDerWaalsContact C-N 3.33Å; E304-R306 PolarHBondContact O-N 2.98Å; R306-R310 WeakPolarHBondContact O-CD 3.49Å; R306-R310 VanDerWaalsContact O-CG 3.29Å; R306-R310 WeakPolarHBondContact O-CG 3.45Å
307	R	86.7	Confident	84	Confident	161 Å²	161	66.5 Å²	66.5	61%	0.608	31%	0.305	S	S	*	.	H	α-helix	trans	-70.1	-39.8	173.6	-167.7	177.6	70	151.6	-0.4	111.3	S303 E304 F305 R311	S303-R307 PolarHBondContact O-N 3.35Å; E304-R307 CarbonylContact O-C 3.51Å; E304-R307 WeakPolarHBondContact O-CA 3.24Å; E304-R307 WeakPolarHBondContact O-CB 3.36Å; E304-R307 PolarHBondContact O-N 2.81Å; E304-R307 IonicContact OE1-CZ 2.76Å; E304-R307 IonicContact OE1-NE 3.21Å; E304-R307 IonicContact OE1-NH2 2.68Å; E304-R307 PolarHBondContact OE1-NH2 3.29Å; E304-R307 IonicContact OE2-CZ 2.88Å; E304-R307 IonicContact OE2-NE 2.83Å; E304-R307 PolarHBondContact OE2-NE 3.12Å; E304-R307 IonicContact OE2-NH2 2.73Å; E304-R307 PolarHBondContact OE2-NH2 3.43Å; F305-R307 VanDerWaalsContact C-N 3.32Å; F305-R307 PolarHBondContact O-N 3.29Å; R307-R311 PolarHBondContact O-N 3.15Å
308	R	87.3	Confident	82.7	Confident	22 Å²	22	69.5 Å²	69.5	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-74.3	-44.6	-178.6	-67.8	-166.7	-177.5	-152.5	-1.4	113.5	E298 E304 F305 R310 R311 Y312 F322 D332 S335	E298-R308 VanDerWaalsContact CD-NH2 3.35Å; E298-R308 IonicContact OE1-NH2 3.9Å; E298-R308 IonicContact OE2-CZ 3.74Å; E298-R308 VanDerWaalsContact OE2-CZ 3.23Å; E298-R308 IonicContact OE2-NH1 3.06Å; E298-R308 PolarHBondContact OE2-NH1 2.65Å; E298-R308 IonicContact OE2-NH2 3.32Å; E298-R308 PolarHBondContact OE2-NH2 2.86Å; E304-R308 HydrophobicContact CG-CG 4.34Å; E304-R308 WeakPolarHBondContact O-CG 3.4Å; E304-R308 PolarHBondContact O-N 3.37Å; E304-R308 IonicContact OE1-CZ 3.19Å; E304-R308 IonicContact OE1-NE 2.74Å; E304-R308 PolarHBondContact OE1-NE 3.12Å; E304-R308 IonicContact OE1-NH2 2.71Å; E304-R308 PolarHBondContact OE1-NH2 3.33Å; F305-R308 PolarHBondContact O-N 2.74Å; R308-R310 PolarHBondContact O-N 3.4Å; R308-R311 WeakPolarHBondContact O-CA 3.22Å; R308-R311 WeakPolarHBondContact O-CB 3.42Å; R308-R311 PolarHBondContact O-N 2.72Å; R308-Y312 HydrophobicContact CB-CD2 4.45Å; R308-Y312 HydrophobicContact CB-CE2 3.98Å; R308-Y312 PolarHBondContact O-N 3.05Å; R308-F322 HydrophobicContact CB-CE1 4.03Å; R308-F322 HydrophobicContact CB-CZ 3.77Å; R308-D332 WeakPolarHBondContact CD-OD2 3.36Å; R308-D332 IonicContact CZ-OD2 2.69Å; R308-D332 IonicContact NE-OD2 3.29Å; R308-D332 IonicContact NH1-OD2 3.98Å; R308-D332 PolarHBondContact NH1-OD2 2.65Å; R308-S335 PolarHBondContact NH1-OG 3.46Å
309	I	80.2	Confident	81.6	Confident	16 Å²	16	73.4 Å²	73.4	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-51.1	-55.8	173	-74	171.9	0	0	0	110.2	F305 R311 Y312 E313 F322 Y387	F305-I309 HydrophobicContact CD1-CD1 4.25Å; F305-I309 HydrophobicContact CD2-CD1 4.1Å; F305-I309 HydrophobicContact CD2-CG1 4.49Å; F305-I309 HydrophobicContact CE1-CD1 3.76Å; F305-I309 HydrophobicContact CE2-CD1 3.59Å; F305-I309 HydrophobicContact CE2-CG1 4.25Å; F305-I309 HydrophobicContact CG-CD1 4.41Å; F305-I309 HydrophobicContact CZ-CD1 3.42Å; F305-I309 VanDerWaalsContact CZ-CD1 3.42Å; F305-I309 PolarHBondContact O-N 3.28Å; I309-R311 PolarHBondContact O-N 3.34Å; I309-Y312 PolarHBondContact O-N 2.69Å; I309-Y312 VanDerWaalsContact O-N 3.08Å; I309-E313 HydrophobicContact CG2-CG 4.15Å; I309-E313 WeakPolarHBondContact O-CG 3.44Å; I309-E313 PolarHBondContact O-N 3.45Å; I309-F322 HydrophobicContact CD1-CE2 4.49Å; I309-F322 HydrophobicContact CG1-CD2 4.14Å; I309-F322 HydrophobicContact CG1-CE2 3.52Å; I309-F322 HydrophobicContact CG1-CZ 3.99Å; I309-Y387 HydrophobicContact CD1-CD1 4.24Å; I309-Y387 HydrophobicContact CD1-CD2 4.16Å; I309-Y387 HydrophobicContact CD1-CG 3.93Å
310	R	81.3	Confident	81	Confident	139 Å²	139	76 Å²	76	53%	0.525	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-19.4	178.2	-67.5	171.9	-179.7	154.3	-6.3	113.8	R306 R308 R314	R306-R310 WeakPolarHBondContact O-CD 3.49Å; R306-R310 VanDerWaalsContact O-CG 3.29Å; R306-R310 WeakPolarHBondContact O-CG 3.45Å; R308-R310 PolarHBondContact O-N 3.4Å; R310-R314 WeakPolarHBondContact O-CG 3.37Å; R310-R314 PolarHBondContact O-NE 2.9Å; R310-R314 PolarHBondContact O-NH2 3.2Å
311	R	86.2	Confident	81.1	Confident	149 Å²	149	78.2 Å²	78.2	56%	0.562	37%	0.368	S	S	*	.	H	α-helix	trans	-84.2	-47.9	174.5	179.9	178.8	177.4	160.8	0.8	110.5	R307 R308 I309 R314 L315	R307-R311 PolarHBondContact O-N 3.15Å; R308-R311 WeakPolarHBondContact O-CA 3.22Å; R308-R311 WeakPolarHBondContact O-CB 3.42Å; R308-R311 PolarHBondContact O-N 2.72Å; I309-R311 PolarHBondContact O-N 3.34Å; R311-R314 PolarHBondContact O-N 2.84Å; R311-L315 HydrophobicContact CG-CD1 3.85Å; R311-L315 VanDerWaalsContact O-CG 3.31Å; R311-L315 WeakPolarHBondContact O-CG 3.43Å; R311-L315 PolarHBondContact O-N 3.33Å; R311-L315 VanDerWaalsContact O-N 3.07Å
312	Y	85	Confident	81.3	Confident	31 Å²	31	77.6 Å²	77.6	12%	0.122	36%	0.363	C	S	.	.	H	α-helix	trans	-68.7	-36.2	-177.6	-59	-27.1	0	0	0	112.4	R308 I309 L315 G316 H317 F322 D332	R308-Y312 HydrophobicContact CB-CD2 4.45Å; R308-Y312 HydrophobicContact CB-CE2 3.98Å; R308-Y312 PolarHBondContact O-N 3.05Å; I309-Y312 PolarHBondContact O-N 2.69Å; I309-Y312 VanDerWaalsContact O-N 3.08Å; Y312-L315 CarbonylContact O-C 3.56Å; Y312-L315 PolarHBondContact O-N 2.91Å; Y312-G316 PolarHBondContact O-N 2.73Å; Y312-G316 VanDerWaalsContact O-N 3.15Å; Y312-H317 AromaticContact CD1-CD2 3.36Å; Y312-H317 WeakPolarHBondContact CD1-CD2 3.45Å; Y312-H317 AromaticContact CD1-NE2 3.72Å; Y312-H317 AromaticContact CG-CD2 3.73Å; Y312-H317 PolarHBondContact O-N 3.16Å; Y312-H317 VanDerWaalsContact O-N 3.08Å; Y312-F322 AromaticContact CD2-CE2 3.91Å; Y312-F322 HydrophobicContact CD2-CE2 3.91Å; Y312-F322 AromaticContact CD2-CZ 3.55Å; Y312-F322 HydrophobicContact CD2-CZ 3.55Å; Y312-F322 HydrophobicContact CE2-CE1 4.12Å; Y312-F322 HydrophobicContact CE2-CE2 4.26Å; Y312-F322 AromaticContact CE2-CZ 3.51Å; Y312-F322 HydrophobicContact CE2-CZ 3.51Å; Y312-D332 WeakPolarHBondContact CE2-OD2 3.43Å; Y312-D332 PolarHBondContact OH-OD2 3.33Å; Y312-D332 VanDerWaalsContact OH-OD2 3.06Å
313	E	77.6	Confident	81.7	Confident	87 Å²	87	75.2 Å²	75.2	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-48.5	169.4	-69.8	175.2	137.4	0	0	111.9	I309 L315 G316	I309-E313 HydrophobicContact CG2-CG 4.15Å; I309-E313 WeakPolarHBondContact O-CG 3.44Å; I309-E313 PolarHBondContact O-N 3.45Å; E313-L315 PolarHBondContact O-N 3.31Å; E313-G316 PolarHBondContact O-N 3.36Å; E313-G316 VanDerWaalsContact O-N 3.14Å
314	R	83.3	Confident	81.9	Confident	196 Å²	196	73.9 Å²	73.9	74%	0.74	35%	0.346	S	S	*	.	H	α-helix	trans	-67.7	-19.7	178	-79.2	-176	-66	136	4.3	114.1	R310 R311	R310-R314 WeakPolarHBondContact O-CG 3.37Å; R310-R314 PolarHBondContact O-NE 2.9Å; R310-R314 PolarHBondContact O-NH2 3.2Å; R311-R314 PolarHBondContact O-N 2.84Å
315	L	84.7	Confident	81.6	Confident	97 Å²	97	73 Å²	73	51%	0.508	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.9	176	-65.2	172.5	0	0	0	112.6	R311 Y312 E313 H317	R311-L315 HydrophobicContact CG-CD1 3.85Å; R311-L315 VanDerWaalsContact O-CG 3.31Å; R311-L315 WeakPolarHBondContact O-CG 3.43Å; R311-L315 PolarHBondContact O-N 3.33Å; R311-L315 VanDerWaalsContact O-N 3.07Å; Y312-L315 CarbonylContact O-C 3.56Å; Y312-L315 PolarHBondContact O-N 2.91Å; E313-L315 PolarHBondContact O-N 3.31Å; L315-H317 WeakPolarHBondContact CB-CE1 3.35Å; L315-H317 PolarHBondContact O-N 3.4Å; L315-H317 PolarHBondContact O-ND1 2.96Å
316	G	75.3	Confident	81	Confident	66 Å²	66	75.1 Å²	75.1	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	27.7	176.8	0	0	0	0	0	114.4	Y312 E313 A318	Y312-G316 PolarHBondContact O-N 2.73Å; Y312-G316 VanDerWaalsContact O-N 3.15Å; E313-G316 PolarHBondContact O-N 3.36Å; E313-G316 VanDerWaalsContact O-N 3.14Å; G316-A318 PolarHBondContact O-N 3.06Å
317	H	76.1	Confident	80.3	Confident	84 Å²	84	74.5 Å²	74.5	39%	0.389	36%	0.364	S	S	.	.			trans	-68.4	120.6	-177.3	-67.3	-1.8	0	0	0	111.1	Y312 L315	Y312-H317 AromaticContact CD1-CD2 3.36Å; Y312-H317 WeakPolarHBondContact CD1-CD2 3.45Å; Y312-H317 AromaticContact CD1-NE2 3.72Å; Y312-H317 AromaticContact CG-CD2 3.73Å; Y312-H317 PolarHBondContact O-N 3.16Å; Y312-H317 VanDerWaalsContact O-N 3.08Å; L315-H317 WeakPolarHBondContact CB-CE1 3.35Å; L315-H317 PolarHBondContact O-N 3.4Å; L315-H317 PolarHBondContact O-ND1 2.96Å
318	A	68.2	Low	79.5	Confident	62 Å²	62	69 Å²	69	51%	0.512	35%	0.346	S	S	.	.	S	Bend	trans	-73.9	-31.9	-177.6	0	0	0	0	0	113.7	G316 Q392	G316-A318 PolarHBondContact O-N 3.06Å; A318-Q392 PolarHBondContact O-NE2 2.85Å
319	H	70.2	Confident	79.2	Confident	101 Å²	101	68.3 Å²	68.3	47%	0.468	34%	0.343	S	S	.	.			trans	-104	134	-177.3	-55.1	-71.9	0	0	0	111.2	Y321	H319-Y321 HydrophobicContact CB-CD2 4.43Å; H319-Y321 HydrophobicContact CB-CE1 4.32Å; H319-Y321 HydrophobicContact CB-CE2 3.62Å; H319-Y321 WeakPolarHBondContact CB-OH 3.37Å
320	H	79.1	Confident	79.5	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.245	34%	0.343	C	S	.	.			trans	-110.7	126.8	176	-64.7	91.9	0	0	0	109.4	F384	H320-F384 HydrophobicContact CB-CE2 4.5Å; H320-F384 HydrophobicContact CB-CZ 4.47Å
321	Y	88.3	Confident	80	Confident	49 Å²	49	61.8 Å²	61.8	19%	0.192	32%	0.318	C	S	.	.			trans	-115	30.8	-173.2	-60.6	-75.6	0	0	0	112.5	Y295 H319 D332 A333 R341	Y295-Y321 PolarHBondContact OH-O 3.48Å; H319-Y321 HydrophobicContact CB-CD2 4.43Å; H319-Y321 HydrophobicContact CB-CE1 4.32Å; H319-Y321 HydrophobicContact CB-CE2 3.62Å; H319-Y321 WeakPolarHBondContact CB-OH 3.37Å; Y321-D332 WeakPolarHBondContact O-CA 3.45Å; Y321-A333 PolarHBondContact O-N 3.14Å; Y321-R341 HydrophobicContact CD1-CB 4.11Å; Y321-R341 HydrophobicContact CE1-CB 4.27Å; Y321-R341 WeakPolarHBondContact CE1-O 3.21Å; Y321-R341 PolarHBondContact OH-NH1 2.8Å
322	F	88.1	Confident	80.3	Confident	39 Å²	39	54.7 Å²	54.7	17%	0.171	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.3	-179.9	-61.8	-63.9	0	0	0	111.8	I300 F305 R308 I309 Y312 I331 D332	I300-F322 HydrophobicContact CD1-CD1 4.46Å; I300-F322 HydrophobicContact CD1-CE1 4.16Å; F305-F322 HydrophobicContact CD2-CB 4.44Å; F305-F322 AromaticContact CD2-CD1 3.79Å; F305-F322 HydrophobicContact CD2-CD1 3.79Å; F305-F322 HydrophobicContact CD2-CD2 4.5Å; F305-F322 HydrophobicContact CD2-CE1 4.08Å; F305-F322 HydrophobicContact CD2-CG 4.01Å; F305-F322 HydrophobicContact CE2-CB 3.87Å; F305-F322 HydrophobicContact CE2-CD1 4.01Å; F305-F322 HydrophobicContact CE2-CD2 4.05Å; F305-F322 AromaticContact CE2-CG 3.73Å; F305-F322 HydrophobicContact CE2-CG 3.73Å; R308-F322 HydrophobicContact CB-CE1 4.03Å; R308-F322 HydrophobicContact CB-CZ 3.77Å; I309-F322 HydrophobicContact CD1-CE2 4.49Å; I309-F322 HydrophobicContact CG1-CD2 4.14Å; I309-F322 HydrophobicContact CG1-CE2 3.52Å; I309-F322 HydrophobicContact CG1-CZ 3.99Å; Y312-F322 AromaticContact CD2-CE2 3.91Å; Y312-F322 HydrophobicContact CD2-CE2 3.91Å; Y312-F322 AromaticContact CD2-CZ 3.55Å; Y312-F322 HydrophobicContact CD2-CZ 3.55Å; Y312-F322 HydrophobicContact CE2-CE1 4.12Å; Y312-F322 HydrophobicContact CE2-CE2 4.26Å; Y312-F322 AromaticContact CE2-CZ 3.51Å; Y312-F322 HydrophobicContact CE2-CZ 3.51Å; F322-I331 CarbonylContact C-O 3.27Å; F322-I331 VanDerWaalsContact CA-O 3.29Å; F322-I331 WeakPolarHBondContact CA-O 3.43Å; F322-D332 HydrophobicContact CD1-CB 3.84Å; F322-D332 HydrophobicContact CE1-CB 3.84Å; F322-D332 WeakPolarHBondContact CE1-OD2 3.38Å
323	M	87.3	Confident	80.7	Confident	36 Å²	36	53.2 Å²	53.2	18%	0.177	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.8	174.6	-169.9	171.5	-67.9	0	0	110.8	Y295 F330 I331 T353 I364 F366	Y295-M323 HydrophobicContact CD1-CB 4.06Å; Y295-M323 HydrophobicContact CD1-CE 4.03Å; Y295-M323 HydrophobicContact CD1-SD 3.77Å; Y295-M323 HydrophobicContact CD2-CE 3.96Å; Y295-M323 HydrophobicContact CD2-SD 4.48Å; Y295-M323 HydrophobicContact CE1-CB 3.74Å; Y295-M323 HydrophobicContact CE1-CE 4.01Å; Y295-M323 HydrophobicContact CE1-SD 4.19Å; Y295-M323 HydrophobicContact CE2-CE 3.92Å; Y295-M323 HydrophobicContact CG-CE 4Å; Y295-M323 HydrophobicContact CG-SD 3.93Å; M323-F330 CarbonylContact O-C 3.57Å; M323-F330 VanDerWaalsContact O-CA 3.31Å; M323-F330 WeakPolarHBondContact O-CA 3.3Å; M323-I331 PolarHBondContact N-O 2.83Å; M323-I331 PolarHBondContact O-N 2.8Å; M323-T353 HydrophobicContact SD-CG2 4.39Å; M323-I364 HydrophobicContact CG-CD1 3.75Å; M323-I364 HydrophobicContact SD-CB 4.42Å; M323-I364 HydrophobicContact SD-CD1 3.67Å; M323-I364 HydrophobicContact SD-CG2 3.77Å; M323-F366 HydrophobicContact CE-CE1 4.06Å; M323-F366 HydrophobicContact CE-CZ 3.99Å
324	A	83.3	Confident	81.3	Confident	34 Å²	34	49.7 Å²	49.7	28%	0.281	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.9	178.4	0	0	0	0	0	111.4	F330 I364	A324-F330 HydrophobicContact CB-CD1 4.06Å; A324-F330 HydrophobicContact CB-CE1 4.02Å; A324-I364 WeakPolarHBondContact O-CD1 3.34Å
325	V	81.1	Confident	81.5	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.024	25%	0.252	C	S	.	.	S	Bend	trans	-106.2	-49.1	178	-169.5	0	0	0	0	110.4	R329 I331 K355 I362 I364	V325-R329 HydrophobicContact CB-CB 4.25Å; V325-R329 PolarHBondContact N-O 2.86Å; V325-I331 HydrophobicContact CG2-CB 4.46Å; V325-I331 HydrophobicContact CG2-CD1 3.55Å; V325-I331 HydrophobicContact CG2-CG1 3.55Å; V325-K355 WeakPolarHBondContact O-CE 3.31Å; V325-K355 PolarHBondContact O-NZ 2.93Å; V325-I362 HydrophobicContact CG1-CB 3.85Å; V325-I362 HydrophobicContact CG1-CG2 3.55Å; V325-I364 HydrophobicContact CB-CD1 4.48Å; V325-I364 HydrophobicContact CG2-CD1 4Å
326	E	71	Confident	81.9	Confident	49 Å²	49	40.2 Å²	40.2	23%	0.229	24%	0.238	C	C	.	.	S	Bend	trans	-130.9	179.1	176.2	-70	164.4	-139.9	0	0	107.9	D328 R329	E326-D328 PolarHBondContact O-N 3.28Å; E326-R329 HydrophobicContact CB-CB 4.07Å; E326-R329 HydrophobicContact CB-CG 4.12Å; E326-R329 PolarHBondContact N-O 2.75Å; E326-R329 PolarHBondContact O-N 3.37Å; E326-R329 WeakPolarHBondContact OE1-CD 3.27Å; E326-R329 IonicContact OE1-NE 3.22Å; E326-R329 PolarHBondContact OE1-NE 3.15Å; E326-R329 WeakPolarHBondContact OE2-CD 3.48Å; E326-R329 IonicContact OE2-CZ 2.7Å; E326-R329 IonicContact OE2-NE 2.66Å; E326-R329 PolarHBondContact OE2-NE 3.36Å; E326-R329 IonicContact OE2-NH2 2.59Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å
327	S	65.1	Low	82.7	Confident	90 Å²	90	37.1 Å²	37.1	63%	0.629	21%	0.206	S	C	*	.	S	Bend	trans	-59.3	-20.2	-177	42.3	0	0	0	0	115.3
328	D	70.1	Confident	83.5	Confident	44 Å²	44	33.2 Å²	33.2	24%	0.235	19%	0.188	C	C	.	.	S	Bend	trans	-136.8	-1.6	-176.7	53.9	15.8	0	0	0	113.8	L200 D301 F302 E326	L200-D328 WeakPolarHBondContact CD2-OD1 3.46Å; L200-D328 WeakPolarHBondContact CD2-OD2 3.35Å; L200-D328 VanDerWaalsContact CG-OD2 3.3Å; L200-D328 WeakPolarHBondContact CG-OD2 3.46Å; D301-D328 CarbonylContact C-O 3.58Å; D301-D328 VanDerWaalsContact CA-O 3.31Å; D301-D328 WeakPolarHBondContact CA-O 3.48Å; F302-D328 PolarHBondContact N-O 3.26Å; E326-D328 PolarHBondContact O-N 3.28Å
329	R	80.6	Confident	84.8	Confident	8 Å²	8	32.2 Å²	32.2	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.6	173.8	-59.8	-169.6	-156.4	-76.1	-28.7	111.8	L175 V299 I300 V325 E326	L175-R329 HydrophobicContact CD1-CG 4.48Å; V299-R329 HydrophobicContact CG1-CB 4.42Å; I300-R329 WeakPolarHBondContact O-CA 3.48Å; V325-R329 HydrophobicContact CB-CB 4.25Å; V325-R329 PolarHBondContact N-O 2.86Å; E326-R329 HydrophobicContact CB-CB 4.07Å; E326-R329 HydrophobicContact CB-CG 4.12Å; E326-R329 PolarHBondContact N-O 2.75Å; E326-R329 PolarHBondContact O-N 3.37Å; E326-R329 WeakPolarHBondContact OE1-CD 3.27Å; E326-R329 IonicContact OE1-NE 3.22Å; E326-R329 PolarHBondContact OE1-NE 3.15Å; E326-R329 WeakPolarHBondContact OE2-CD 3.48Å; E326-R329 IonicContact OE2-CZ 2.7Å; E326-R329 IonicContact OE2-NE 2.66Å; E326-R329 PolarHBondContact OE2-NE 3.36Å; E326-R329 IonicContact OE2-NH2 2.59Å; E326-R329 PolarHBondContact OE2-NH2 2.9Å
330	F	87.2	Confident	86	Confident	16 Å²	16	27.4 Å²	27.4	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	176.3	-53.8	-93.6	0	0	0	109.4	V299 I300 F302 F305 M323 A324	V299-F330 CarbonylContact C-O 2.95Å; V299-F330 WeakPolarHBondContact CA-O 3.43Å; I300-F330 HydrophobicContact CD1-CB 4.5Å; I300-F330 HydrophobicContact CG1-CB 3.94Å; I300-F330 WeakPolarHBondContact CG1-O 3.44Å; I300-F330 PolarHBondContact N-O 3.15Å; I300-F330 PolarHBondContact O-N 3.1Å; F302-F330 HydrophobicContact CB-CE2 4.07Å; F302-F330 AromaticContact CD2-CE2 3.86Å; F302-F330 HydrophobicContact CD2-CE2 3.86Å; F302-F330 AromaticContact CD2-CZ 3.97Å; F302-F330 HydrophobicContact CD2-CZ 3.97Å; F302-F330 HydrophobicContact CG-CE2 4.47Å; F305-F330 HydrophobicContact CB-CD2 3.79Å; F305-F330 HydrophobicContact CB-CE2 4.29Å; F305-F330 HydrophobicContact CB-CG 4.18Å; F305-F330 HydrophobicContact CD1-CD1 4.41Å; F305-F330 HydrophobicContact CD1-CD2 4.16Å; F305-F330 HydrophobicContact CD1-CE1 4.22Å; F305-F330 AromaticContact CD1-CE2 3.99Å; F305-F330 HydrophobicContact CD1-CE2 3.99Å; F305-F330 HydrophobicContact CD1-CG 4.4Å; F305-F330 HydrophobicContact CD1-CZ 4.02Å; F305-F330 HydrophobicContact CD2-CB 4.16Å; F305-F330 AromaticContact CD2-CD1 4Å; F305-F330 HydrophobicContact CD2-CD1 4Å; F305-F330 HydrophobicContact CD2-CD2 4.28Å; F305-F330 AromaticContact CD2-CG 3.86Å; F305-F330 HydrophobicContact CD2-CG 3.86Å; F305-F330 HydrophobicContact CE1-CD1 4.35Å; F305-F330 AromaticContact CE1-CE1 3.97Å; F305-F330 HydrophobicContact CE1-CE1 3.97Å; F305-F330 HydrophobicContact CE1-CZ 4.08Å; F305-F330 AromaticContact CE2-CD1 3.93Å; F305-F330 HydrophobicContact CE2-CD1 3.93Å; F305-F330 HydrophobicContact CE2-CE1 4.32Å; F305-F330 HydrophobicContact CE2-CG 4.27Å; F305-F330 HydrophobicContact CG-CD1 4.23Å; F305-F330 AromaticContact CG-CD2 3.85Å; F305-F330 HydrophobicContact CG-CD2 3.85Å; F305-F330 HydrophobicContact CG-CE1 4.48Å; F305-F330 HydrophobicContact CG-CE2 4.16Å; F305-F330 AromaticContact CG-CG 3.91Å; F305-F330 HydrophobicContact CG-CG 3.91Å; F305-F330 HydrophobicContact CG-CZ 4.47Å; F305-F330 HydrophobicContact CZ-CD1 4.1Å; F305-F330 HydrophobicContact CZ-CE1 4.01Å; M323-F330 CarbonylContact O-C 3.57Å; M323-F330 VanDerWaalsContact O-CA 3.31Å; M323-F330 WeakPolarHBondContact O-CA 3.3Å; A324-F330 HydrophobicContact CB-CD1 4.06Å; A324-F330 HydrophobicContact CB-CE1 4.02Å
331	I	91.8	Very high	86.7	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.7	161.7	-68.5	160.3	0	0	0	107.4	Y295 E298 V299 F322 M323 V325 I364	Y295-I331 HydrophobicContact CD1-CB 4.25Å; Y295-I331 HydrophobicContact CD1-CD1 4.27Å; Y295-I331 HydrophobicContact CD1-CG2 3.76Å; Y295-I331 HydrophobicContact CE1-CB 4.33Å; Y295-I331 HydrophobicContact CE1-CG2 3.77Å; E298-I331 CarbonylContact O-C 3.54Å; E298-I331 WeakPolarHBondContact O-CA 3.35Å; V299-I331 HydrophobicContact CG2-CG1 4.24Å; F322-I331 CarbonylContact C-O 3.27Å; F322-I331 VanDerWaalsContact CA-O 3.29Å; F322-I331 WeakPolarHBondContact CA-O 3.43Å; M323-I331 PolarHBondContact N-O 2.83Å; M323-I331 PolarHBondContact O-N 2.8Å; V325-I331 HydrophobicContact CG2-CB 4.46Å; V325-I331 HydrophobicContact CG2-CD1 3.55Å; V325-I331 HydrophobicContact CG2-CG1 3.55Å; I331-I364 HydrophobicContact CD1-CD1 4.29Å; I331-I364 HydrophobicContact CD1-CG1 4.44Å
332	D	92.4	Very high	87	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	106.3	165.7	-179.1	0.1	0	0	0	109.2	G297 E298 I300 R308 Y312 Y321 F322 G334	G297-D332 WeakPolarHBondContact CA-O 3.26Å; E298-D332 PolarHBondContact N-O 3.17Å; E298-D332 PolarHBondContact O-N 3.31Å; I300-D332 HydrophobicContact CD1-CB 4.04Å; R308-D332 WeakPolarHBondContact CD-OD2 3.36Å; R308-D332 IonicContact CZ-OD2 2.69Å; R308-D332 IonicContact NE-OD2 3.29Å; R308-D332 IonicContact NH1-OD2 3.98Å; R308-D332 PolarHBondContact NH1-OD2 2.65Å; Y312-D332 WeakPolarHBondContact CE2-OD2 3.43Å; Y312-D332 PolarHBondContact OH-OD2 3.33Å; Y312-D332 VanDerWaalsContact OH-OD2 3.06Å; Y321-D332 WeakPolarHBondContact O-CA 3.45Å; F322-D332 HydrophobicContact CD1-CB 3.84Å; F322-D332 HydrophobicContact CE1-CB 3.84Å; F322-D332 WeakPolarHBondContact CE1-OD2 3.38Å; D332-G334 VanDerWaalsContact C-N 3.28Å; D332-G334 WeakPolarHBondContact OD1-CA 3.25Å; D332-G334 PolarHBondContact OD1-N 2.9Å
333	A	93.5	Very high	87.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	11.7	177.6	0	0	0	0	0	113.4	Y295 V296 Y321 K336 R341	Y295-A333 HydrophobicContact CE1-CB 3.93Å; V296-A333 WeakPolarHBondContact O-CB 3.08Å; Y321-A333 PolarHBondContact O-N 3.14Å; A333-K336 CarbonylContact C-O 3.42Å; A333-K336 VanDerWaalsContact CA-O 3.27Å; A333-K336 WeakPolarHBondContact CA-O 3.48Å; A333-R341 HydrophobicContact CB-CB 4.09Å; A333-R341 PolarHBondContact O-NE 2.73Å; A333-R341 PolarHBondContact O-NH2 2.81Å
334	G	89.7	Confident	87.8	Confident	13 Å²	13	20.8 Å²	20.8	13%	0.134	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-64.4	-175.3	0	0	0	0	0	112.7	D332 R341	D332-G334 VanDerWaalsContact C-N 3.28Å; D332-G334 WeakPolarHBondContact OD1-CA 3.25Å; D332-G334 PolarHBondContact OD1-N 2.9Å; G334-R341 PolarHBondContact O-NH2 3.14Å
335	S	88.9	Confident	88.2	Confident	42 Å²	42	20 Å²	20	29%	0.294	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-46.4	179	41.8	0	0	0	0	113.3	Y164 T165 E298 R308	Y164-S335 WeakPolarHBondContact CA-O 3.45Å; T165-S335 PolarHBondContact N-O 3.21Å; E298-S335 PolarHBondContact OE2-OG 3.41Å; R308-S335 PolarHBondContact NH1-OG 3.46Å
336	K	91.9	Very high	88.7	Confident	52 Å²	52	20.3 Å²	20.3	23%	0.226	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.4	180	-43	-179.7	-172.9	143.2	0	108.6	T165 L167 D171 G297 E298 A333	T165-K336 CarbonylContact O-C 3.57Å; T165-K336 VanDerWaalsContact O-CA 3.3Å; T165-K336 WeakPolarHBondContact O-CA 3.37Å; L167-K336 HydrophobicContact CD1-CB 3.49Å; L167-K336 VanDerWaalsContact CD1-CB 3.49Å; L167-K336 HydrophobicContact CD1-CD 4.24Å; L167-K336 HydrophobicContact CD2-CB 4.32Å; L167-K336 HydrophobicContact CD2-CD 4.45Å; L167-K336 HydrophobicContact CG-CB 3.77Å; D171-K336 IonicContact OD2-NZ 2.64Å; D171-K336 PolarHBondContact OD2-NZ 2.94Å; G297-K336 VanDerWaalsContact CA-O 3.31Å; G297-K336 WeakPolarHBondContact CA-O 3.47Å; E298-K336 HydrophobicContact CG-CB 4.11Å; E298-K336 HydrophobicContact CG-CD 3.67Å; E298-K336 HydrophobicContact CG-CG 3.92Å; E298-K336 WeakPolarHBondContact OE1-CE 3.32Å; E298-K336 IonicContact OE1-NZ 3.57Å; E298-K336 PolarHBondContact OE1-NZ 3.41Å; A333-K336 CarbonylContact C-O 3.42Å; A333-K336 VanDerWaalsContact CA-O 3.27Å; A333-K336 WeakPolarHBondContact CA-O 3.48Å
337	G	92.9	Very high	89.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-172.3	177.3	0	0	0	0	0	112.7	Y164 T165 H166 L167 V296	Y164-G337 WeakPolarHBondContact CE2-O 3.44Å; T165-G337 PolarHBondContact O-N 2.92Å; H166-G337 CarbonylContact C-O 3.54Å; H166-G337 VanDerWaalsContact CA-O 3.25Å; H166-G337 WeakPolarHBondContact CA-O 3.36Å; L167-G337 PolarHBondContact N-O 3.13Å; V296-G337 WeakPolarHBondContact O-CA 3.42Å
338	N	93.5	Very high	90.9	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	10%	0.103	C	C	.	.			trans	-115.7	-173.1	176.9	73	-3.9	0	0	0	111.9	L167 E294 V296 A340 R341	L167-N338 WeakPolarHBondContact O-CB 3.36Å; E294-N338 PolarHBondContact O-ND2 2.85Å; E294-N338 PolarHBondContact O-OD1 3.05Å; V296-N338 HydrophobicContact CB-CB 4.13Å; V296-N338 WeakPolarHBondContact CG2-ND2 3.26Å; V296-N338 PolarHBondContact O-N 3.41Å; N338-A340 PolarHBondContact O-N 3.45Å; N338-A340 WeakPolarHBondContact OD1-CB 3.49Å; N338-A340 PolarHBondContact OD1-N 3.25Å; N338-R341 WeakPolarHBondContact O-CB 2.96Å; N338-R341 WeakPolarHBondContact O-CD 3.26Å; N338-R341 WeakPolarHBondContact O-CG 3.29Å; N338-R341 PolarHBondContact O-N 3.02Å; N338-R341 VanDerWaalsContact O-N 3.1Å
339	W	94.7	Very high	92	Very high	40 Å²	40	18.5 Å²	18.5	15%	0.152	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-57.5	-15.6	178	-65.5	-5.1	0	0	0	115.3	L149 I152 H166 T267 P269 L280 I293 R341 F342	L149-W339 HydrophobicContact CD2-CZ2 4.01Å; I152-W339 HydrophobicContact CD1-CH2 4.22Å; I152-W339 HydrophobicContact CD1-CZ2 3.87Å; H166-W339 AromaticContact CD2-CD1 3.9Å; H166-W339 AromaticContact NE2-CD1 3.62Å; H166-W339 AromaticContact NE2-NE1 3.87Å; T267-W339 VanDerWaalsContact O-CZ3 3.29Å; T267-W339 WeakPolarHBondContact O-CZ3 3.45Å; P269-W339 HydrophobicContact CG-CD2 4.01Å; P269-W339 HydrophobicContact CG-CG 4.03Å; L280-W339 HydrophobicContact CD1-CB 3.98Å; I293-W339 HydrophobicContact CD1-CB 3.94Å; W339-R341 PolarHBondContact O-N 2.88Å; W339-F342 HydrophobicContact CB-CD2 4.26Å; W339-F342 WeakPolarHBondContact O-CD2 3.46Å; W339-F342 PolarHBondContact O-N 3.01Å
340	A	95.6	Very high	92.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-62.7	-21.4	174.8	0	0	0	0	0	112.5	I293 E294 Y295 N338 F342 V343 F366	I293-A340 HydrophobicContact CB-CB 4.48Å; I293-A340 HydrophobicContact CD1-CB 4.21Å; I293-A340 HydrophobicContact CG1-CB 4.16Å; I293-A340 HydrophobicContact CG2-CB 3.59Å; E294-A340 WeakPolarHBondContact O-CB 3.37Å; Y295-A340 HydrophobicContact CD2-CB 3.7Å; Y295-A340 HydrophobicContact CE2-CB 4.45Å; Y295-A340 HydrophobicContact CG-CB 4.44Å; N338-A340 PolarHBondContact O-N 3.45Å; N338-A340 WeakPolarHBondContact OD1-CB 3.49Å; N338-A340 PolarHBondContact OD1-N 3.25Å; A340-F342 PolarHBondContact O-N 2.94Å; A340-F342 VanDerWaalsContact O-N 3.15Å; A340-V343 PolarHBondContact O-N 3.08Å; A340-F366 HydrophobicContact CB-CD2 4.35Å; A340-F366 HydrophobicContact CB-CE2 3.91Å
341	R	94.4	Very high	93.2	Very high	14 Å²	14	17.6 Å²	17.6	5%	0.053	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-64.1	-10.3	172.1	81.6	-168.1	-60.8	-71.8	10.6	114.3	Y321 A333 G334 N338 W339	Y321-R341 HydrophobicContact CD1-CB 4.11Å; Y321-R341 HydrophobicContact CE1-CB 4.27Å; Y321-R341 WeakPolarHBondContact CE1-O 3.21Å; Y321-R341 PolarHBondContact OH-NH1 2.8Å; A333-R341 HydrophobicContact CB-CB 4.09Å; A333-R341 PolarHBondContact O-NE 2.73Å; A333-R341 PolarHBondContact O-NH2 2.81Å; G334-R341 PolarHBondContact O-NH2 3.14Å; N338-R341 WeakPolarHBondContact O-CB 2.96Å; N338-R341 WeakPolarHBondContact O-CD 3.26Å; N338-R341 WeakPolarHBondContact O-CG 3.29Å; N338-R341 PolarHBondContact O-N 3.02Å; N338-R341 VanDerWaalsContact O-N 3.1Å; W339-R341 PolarHBondContact O-N 2.88Å
342	F	95	Very high	93.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-103.6	3.7	177.5	-52.5	-59.9	0	0	0	113.3	F153 P162 Y164 P269 W278 G279 L280 W339 A340 N344	F153-F342 HydrophobicContact CE1-CE2 4.32Å; F153-F342 HydrophobicContact CE1-CZ 4.07Å; F153-F342 HydrophobicContact CZ-CE2 4.12Å; F153-F342 AromaticContact CZ-CZ 3.9Å; F153-F342 HydrophobicContact CZ-CZ 3.9Å; P162-F342 HydrophobicContact CB-CE1 4.02Å; P162-F342 HydrophobicContact CB-CZ 4.15Å; P162-F342 HydrophobicContact CG-CE1 4.07Å; P162-F342 HydrophobicContact CG-CZ 3.88Å; Y164-F342 HydrophobicContact CE1-CE2 4.44Å; Y164-F342 AromaticContact CE1-CZ 3.82Å; Y164-F342 HydrophobicContact CE1-CZ 3.82Å; Y164-F342 AromaticContact CZ-CZ 3.95Å; P269-F342 HydrophobicContact CB-CD2 4.19Å; P269-F342 HydrophobicContact CB-CE2 4.39Å; P269-F342 HydrophobicContact CG-CD2 3.97Å; P269-F342 HydrophobicContact CG-CE2 4.04Å; W278-F342 HydrophobicContact CB-CD1 3.59Å; W278-F342 HydrophobicContact CB-CE1 4.07Å; W278-F342 HydrophobicContact CB-CG 4.3Å; W278-F342 HydrophobicContact CG-CD1 4.35Å; W278-F342 HydrophobicContact CG-CE1 4.37Å; G279-F342 CarbonylContact C-O 3.58Å; G279-F342 WeakPolarHBondContact CA-O 3.41Å; L280-F342 HydrophobicContact CB-CB 4.42Å; L280-F342 PolarHBondContact N-O 3.24Å; W339-F342 HydrophobicContact CB-CD2 4.26Å; W339-F342 WeakPolarHBondContact O-CD2 3.46Å; W339-F342 PolarHBondContact O-N 3.01Å; A340-F342 PolarHBondContact O-N 2.94Å; A340-F342 VanDerWaalsContact O-N 3.15Å; F342-N344 PolarHBondContact O-N 3.43Å
343	V	95.9	Very high	93.2	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	13%	0.126	C	C	.	.			trans	-77.1	115.2	175.7	179	0	0	0	0	108.8	L280 A340 F366 V378 I380 Y382	L280-V343 HydrophobicContact CB-CG2 3.92Å; L280-V343 HydrophobicContact CD2-CG2 3.5Å; L280-V343 HydrophobicContact CG-CG2 4.34Å; A340-V343 PolarHBondContact O-N 3.08Å; V343-F366 HydrophobicContact CB-CD2 4.19Å; V343-F366 HydrophobicContact CB-CE2 3.76Å; V343-F366 HydrophobicContact CG1-CD2 4.22Å; V343-F366 HydrophobicContact CG1-CE2 4.08Å; V343-F366 HydrophobicContact CG2-CD2 3.8Å; V343-F366 HydrophobicContact CG2-CE2 3.71Å; V343-V378 HydrophobicContact CG1-CG1 4.11Å; V343-V378 WeakPolarHBondContact CG1-O 3.43Å; V343-V378 HydrophobicContact CG2-CG1 4.29Å; V343-I380 HydrophobicContact CG1-CG1 3.93Å; V343-I380 HydrophobicContact CG1-CG2 4.12Å; V343-Y382 WeakPolarHBondContact O-CE1 3.33Å; V343-Y382 PolarHBondContact O-OH 2.86Å
344	N	94.6	Very high	93	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	166.4	-174	-80.8	-46	0	0	0	113.9	W278 G279 F342 E377 T379 I380	W278-N344 PolarHBondContact O-ND2 3.03Å; G279-N344 WeakPolarHBondContact CA-ND2 3.42Å; F342-N344 PolarHBondContact O-N 3.43Å; N344-E377 WeakPolarHBondContact CB-OE1 3.32Å; N344-E377 PolarHBondContact ND2-OE1 3.25Å; N344-T379 VanDerWaalsContact O-CA 3.3Å; N344-T379 WeakPolarHBondContact O-CA 3.37Å; N344-I380 PolarHBondContact O-N 2.98Å
345	H	92.1	Very high	92.9	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.7	171.9	-177.9	34.8	0	0	0	112.1	I380 D381 Y382 M405	H345-I380 CarbonylContact C-O 3.55Å; H345-I380 VanDerWaalsContact CA-O 3.26Å; H345-I380 WeakPolarHBondContact CA-O 3.48Å; H345-I380 PolarHBondContact ND1-O 3.32Å; H345-I380 VanDerWaalsContact ND1-O 3.14Å; H345-D381 IonicContact CE1-OD1 3.85Å; H345-Y382 HydrophobicContact CB-CD1 3.84Å; H345-Y382 HydrophobicContact CB-CD2 3.8Å; H345-Y382 HydrophobicContact CB-CE1 4.04Å; H345-Y382 HydrophobicContact CB-CE2 4Å; H345-Y382 HydrophobicContact CB-CG 3.72Å; H345-Y382 PolarHBondContact ND1-N 2.98Å; H345-M405 HydrophobicContact CB-SD 4.06Å
346	S	92.7	Very high	93	Very high	10 Å²	10	25.8 Å²	25.8	7%	0.07	13%	0.132	C	C	.	.			trans	-127.8	145.4	155.9	-174.5	0	0	0	0	111.7	E348 T379 I380	S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 WeakPolarHBondContact CB-O 3.18Å; S346-E348 PolarHBondContact OG-N 3.24Å; S346-E348 PolarHBondContact OG-O 3.21Å; S346-T379 WeakPolarHBondContact CB-OG1 3.3Å; S346-I380 PolarHBondContact N-O 2.73Å
347	C	89.1	Confident	92.8	Very high	38 Å²	38	23.9 Å²	23.9	26%	0.257	12%	0.124	S	C	.	.	S	Bend	trans	-72.4	-27.2	167.5	-55.2	0	0	0	0	111.4	P349 A398	C347-P349 VanDerWaalsContact C-CD 3.46Å; C347-P349 VanDerWaalsContact O-CD 3.3Å; C347-P349 WeakPolarHBondContact O-CD 3.33Å; C347-A398 HydrophobicContact CB-CB 4.14Å
348	E	91.6	Very high	92.6	Very high	87 Å²	87	23.9 Å²	23.9	41%	0.407	13%	0.125	S	C	.	.	S	Bend	trans	-113.9	81.9	169.6	-70.3	166.3	-143.5	0	0	108.2	S346 A398 S399 T400	S346-E348 VanDerWaalsContact C-N 3.29Å; S346-E348 WeakPolarHBondContact CB-O 3.18Å; S346-E348 PolarHBondContact OG-N 3.24Å; S346-E348 PolarHBondContact OG-O 3.21Å; E348-A398 HydrophobicContact CB-CB 3.9Å; E348-A398 HydrophobicContact CG-CB 3.82Å; E348-S399 PolarHBondContact OE1-N 3.12Å; E348-S399 PolarHBondContact OE1-OG 2.66Å; E348-T400 WeakPolarHBondContact CG-OG1 3.19Å; E348-T400 PolarHBondContact OE1-N 2.88Å; E348-T400 PolarHBondContact OE1-OG1 3.5Å
349	P	94.3	Very high	92.1	Very high	21 Å²	21	27.6 Å²	27.6	14%	0.136	15%	0.145	C	C	.	.			trans	-88.8	145.3	-173.3	34.7	-37.8	0	0	0	113.6	C347 K369 D381	C347-P349 VanDerWaalsContact C-CD 3.46Å; C347-P349 VanDerWaalsContact O-CD 3.3Å; C347-P349 WeakPolarHBondContact O-CD 3.33Å; P349-K369 PolarHBondContact O-NZ 3.33Å; P349-D381 HydrophobicContact CG-CB 4.03Å
350	N	96.8	Very high	91.1	Very high	3 Å²	3	26 Å²	26	2%	0.016	14%	0.14	C	C	.	.	S	Bend	trans	-91.4	-11	175.1	61.9	4.4	0	0	0	114	K369 E370 I372 Q376 E377 T379	N350-K369 WeakPolarHBondContact O-CB 3.24Å; N350-K369 PolarHBondContact O-N 3.17Å; N350-E370 HydrophobicContact CB-CG 3.96Å; N350-E370 VanDerWaalsContact CB-OE1 3.28Å; N350-E370 WeakPolarHBondContact CB-OE1 3.32Å; N350-I372 HydrophobicContact CB-CD1 4.12Å; N350-I372 HydrophobicContact CB-CG1 4.12Å; N350-Q376 VanDerWaalsContact ND2-CD 3.3Å; N350-Q376 PolarHBondContact ND2-NE2 3.47Å; N350-E377 PolarHBondContact ND2-O 2.86Å; N350-T379 PolarHBondContact OD1-N 3.39Å; N350-T379 PolarHBondContact OD1-O 3.19Å; N350-T379 PolarHBondContact OD1-OG1 3.47Å
351	C	96.7	Very high	90.5	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	158.8	170.8	-79.9	0	0	0	0	113.1	F367 V378 T379 I380	C351-F367 CarbonylContact C-O 3.55Å; C351-F367 VanDerWaalsContact CA-O 3.29Å; C351-F367 WeakPolarHBondContact CA-O 3.33Å; C351-V378 HydrophobicContact CB-CG1 4.4Å; C351-T379 WeakPolarHBondContact CB-O 3.45Å; C351-T379 PolarHBondContact N-O 3.36Å; C351-I380 HydrophobicContact CB-CG2 3.68Å
352	V	92.3	Very high	90	Very high	63 Å²	63	29.5 Å²	29.5	38%	0.382	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	173.3	65.9	0	0	0	0	110.8	Q354 F367	V352-Q354 HydrophobicContact CG1-CG 4.41Å; V352-F367 HydrophobicContact CG1-CB 4.33Å; V352-F367 PolarHBondContact N-O 3.38Å; V352-F367 PolarHBondContact O-N 3.35Å
353	T	91.3	Very high	89.8	Confident	46 Å²	46	30.6 Å²	30.6	28%	0.282	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.3	175	-52.7	0	0	0	0	110.3	M323 I364 F366	M323-T353 HydrophobicContact SD-CG2 4.39Å; T353-I364 HydrophobicContact CG2-CG2 3.32Å; T353-F366 HydrophobicContact CG2-CD1 4.34Å; T353-F366 HydrophobicContact CG2-CE1 4.2Å
354	Q	89.4	Confident	89.7	Confident	52 Å²	52	30.6 Å²	30.6	24%	0.243	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.4	176.3	-58.3	-175.2	5.8	0	0	111.1	V352 I364 G365 F367	V352-Q354 HydrophobicContact CG1-CG 4.41Å; Q354-I364 WeakPolarHBondContact O-CA 3.42Å; Q354-G365 PolarHBondContact N-O 2.7Å; Q354-G365 PolarHBondContact O-N 3Å; Q354-F367 HydrophobicContact CB-CD2 3.72Å; Q354-F367 HydrophobicContact CB-CE2 3.82Å; Q354-F367 HydrophobicContact CG-CB 4.42Å; Q354-F367 HydrophobicContact CG-CD2 3.6Å; Q354-F367 HydrophobicContact CG-CE2 4.17Å; Q354-F367 HydrophobicContact CG-CG 4.18Å
355	K	87.7	Confident	89.6	Confident	61 Å²	61	29.8 Å²	29.8	27%	0.265	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.2	168.3	-64.7	-176.4	-179.4	-178.2	0	109.7	N241 V325 I362 R363 I364 D420	N241-K355 WeakPolarHBondContact CB-O 3.31Å; N241-K355 PolarHBondContact ND2-O 3.13Å; V325-K355 WeakPolarHBondContact O-CE 3.31Å; V325-K355 PolarHBondContact O-NZ 2.93Å; K355-I362 HydrophobicContact CB-CG2 4.01Å; K355-I362 HydrophobicContact CD-CG2 4.33Å; K355-I362 HydrophobicContact CG-CG2 4.28Å; K355-R363 WeakPolarHBondContact CA-O 3.47Å; K355-I364 HydrophobicContact CG-CG1 4.37Å; K355-D420 WeakPolarHBondContact CE-OD1 3.44Å; K355-D420 IonicContact NZ-OD1 3.84Å; K355-D420 PolarHBondContact NZ-OD1 3.48Å; K355-D420 IonicContact NZ-OD2 2.72Å; K355-D420 PolarHBondContact NZ-OD2 3.27Å
356	W	90.1	Very high	89.8	Confident	8 Å²	8	29 Å²	29	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.3	-177.1	-83.5	72.9	0	0	0	111.1	R238 N241 E243 F259 V358 I362 R363 F367	R238-W356 HydrophobicContact CG-CH2 3.99Å; N241-W356 HydrophobicContact CB-CD2 3.78Å; N241-W356 HydrophobicContact CB-CE3 4.25Å; N241-W356 HydrophobicContact CB-CG 4Å; N241-W356 HydrophobicContact CB-CZ2 4.21Å; N241-W356 CarbonylContact O-C 3.59Å; N241-W356 WeakPolarHBondContact O-CA 3.24Å; E243-W356 HydrophobicContact CG-CE3 4.06Å; E243-W356 HydrophobicContact CG-CZ3 4.42Å; F259-W356 HydrophobicContact CD2-CB 4.35Å; F259-W356 HydrophobicContact CD2-CD2 4.47Å; F259-W356 HydrophobicContact CD2-CG 4.37Å; F259-W356 HydrophobicContact CE2-CB 3.59Å; F259-W356 AromaticContact CE2-CD1 3.76Å; F259-W356 AromaticContact CE2-CD2 3.65Å; F259-W356 HydrophobicContact CE2-CD2 3.65Å; F259-W356 HydrophobicContact CE2-CE3 4.15Å; F259-W356 AromaticContact CE2-CG 3.36Å; F259-W356 HydrophobicContact CE2-CG 3.36Å; F259-W356 HydrophobicContact CZ-CB 3.71Å; F259-W356 AromaticContact CZ-CD1 3.76Å; F259-W356 HydrophobicContact CZ-CD2 4.4Å; F259-W356 AromaticContact CZ-CG 3.67Å; F259-W356 HydrophobicContact CZ-CG 3.67Å; W356-V358 HydrophobicContact CB-CG2 4.31Å; W356-I362 WeakPolarHBondContact O-CA 3.34Å; W356-R363 PolarHBondContact N-O 3.1Å; W356-R363 PolarHBondContact O-N 3.37Å; W356-F367 AromaticContact CD1-CE2 3.79Å; W356-F367 AromaticContact CD1-CZ 3.96Å; W356-F367 AromaticContact CE2-CZ 3.74Å; W356-F367 HydrophobicContact CZ2-CE1 4.38Å; W356-F367 HydrophobicContact CZ2-CZ 4.13Å; W356-F367 AromaticContact NE1-CE2 3.41Å; W356-F367 AromaticContact NE1-CZ 3.32Å; W356-F367 VanDerWaalsContact NE1-CZ 3.32Å
357	S	87.3	Confident	90	Very high	11 Å²	11	28.8 Å²	28.8	8%	0.077	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.5	173.6	-174.7	0	0	0	0	109.9	N241 I242 E243	N241-S357 PolarHBondContact O-N 2.99Å; I242-S357 WeakPolarHBondContact CA-O 3.37Å; E243-S357 PolarHBondContact N-O 3.33Å
358	V	88.9	Confident	90.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.1	-176.8	-171.4	0	0	0	0	108.4	E243 F259 Q260 W356 G360 E361 R363	E243-V358 HydrophobicContact CB-CG1 4.43Å; E243-V358 HydrophobicContact CG-CG1 4.47Å; E243-V358 HydrophobicContact CG-CG2 4.01Å; F259-V358 HydrophobicContact CB-CG1 4.4Å; F259-V358 HydrophobicContact CB-CG2 4.1Å; F259-V358 HydrophobicContact CD2-CG2 4.25Å; F259-V358 HydrophobicContact CG-CG2 4.08Å; Q260-V358 HydrophobicContact CG-CG1 3.7Å; W356-V358 HydrophobicContact CB-CG2 4.31Å; V358-G360 PolarHBondContact O-N 3.44Å; V358-G360 VanDerWaalsContact O-N 3.13Å; V358-E361 PolarHBondContact N-O 3.43Å; V358-E361 PolarHBondContact O-N 2.76Å; V358-R363 HydrophobicContact CB-CG 4.07Å; V358-R363 HydrophobicContact CG2-CB 4.1Å; V358-R363 HydrophobicContact CG2-CG 3.93Å
359	N	84.1	Confident	90.4	Very high	81 Å²	81	27.7 Å²	27.7	43%	0.433	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	30.1	-171.8	-59.4	-35.4	0	0	0	113.5	Q260	Q260-N359 PolarHBondContact OE1-ND2 2.72Å; Q260-N359 PolarHBondContact OE1-OD1 2.85Å
360	G	73.7	Confident	90.5	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	19.9	-179.3	0	0	0	0	0	115.5	R210 V358	R210-G360 PolarHBondContact NH2-O 2.99Å; V358-G360 PolarHBondContact O-N 3.44Å; V358-G360 VanDerWaalsContact O-N 3.13Å
361	E	82.3	Confident	90.5	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.8	165.1	-59.2	-177.2	148	0	0	108.6	Y172 V358 R363	Y172-E361 WeakPolarHBondContact CE2-OE2 3.35Å; V358-E361 PolarHBondContact N-O 3.43Å; V358-E361 PolarHBondContact O-N 2.76Å; E361-R363 PolarHBondContact O-N 3.33Å
362	I	84.5	Confident	90.5	Very high	26 Å²	26	35.1 Å²	35.1	13%	0.133	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.6	175.2	-60.4	-61.5	0	0	0	109.2	Y172 H206 V325 K355 W356	Y172-I362 PolarHBondContact OH-O 2.9Å; H206-I362 WeakPolarHBondContact NE2-CD1 3.21Å; V325-I362 HydrophobicContact CG1-CB 3.85Å; V325-I362 HydrophobicContact CG1-CG2 3.55Å; K355-I362 HydrophobicContact CB-CG2 4.01Å; K355-I362 HydrophobicContact CD-CG2 4.33Å; K355-I362 HydrophobicContact CG-CG2 4.28Å; W356-I362 WeakPolarHBondContact O-CA 3.34Å
363	R	90.9	Very high	90.8	Very high	27 Å²	27	35.5 Å²	35.5	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.1	170.3	-60.3	-168.4	178.1	-150.4	-0.9	109.9	F259 E294 K355 W356 V358 E361	F259-R363 HydrophobicContact CD1-CB 4.08Å; F259-R363 HydrophobicContact CE1-CB 4.03Å; E294-R363 IonicContact OE1-CZ 3.9Å; E294-R363 IonicContact OE1-NE 2.65Å; E294-R363 IonicContact OE1-NH1 3.84Å; E294-R363 PolarHBondContact OE1-NH1 3.2Å; E294-R363 WeakPolarHBondContact OE2-CD 3.27Å; E294-R363 IonicContact OE2-CZ 3.03Å; E294-R363 IonicContact OE2-NH1 3.87Å; E294-R363 PolarHBondContact OE2-NH1 3.4Å; K355-R363 WeakPolarHBondContact CA-O 3.47Å; W356-R363 PolarHBondContact N-O 3.1Å; W356-R363 PolarHBondContact O-N 3.37Å; V358-R363 HydrophobicContact CB-CG 4.07Å; V358-R363 HydrophobicContact CG2-CB 4.1Å; V358-R363 HydrophobicContact CG2-CG 3.93Å; E361-R363 PolarHBondContact O-N 3.33Å
364	I	92.3	Very high	91	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133	174.3	-58.5	-177.2	0	0	0	108.9	E294 Y295 M323 A324 V325 I331 T353 Q354 K355	E294-I364 CarbonylContact C-O 3.21Å; E294-I364 WeakPolarHBondContact CA-O 3.29Å; Y295-I364 PolarHBondContact N-O 2.64Å; M323-I364 HydrophobicContact CG-CD1 3.75Å; M323-I364 HydrophobicContact SD-CB 4.42Å; M323-I364 HydrophobicContact SD-CD1 3.67Å; M323-I364 HydrophobicContact SD-CG2 3.77Å; A324-I364 WeakPolarHBondContact O-CD1 3.34Å; V325-I364 HydrophobicContact CB-CD1 4.48Å; V325-I364 HydrophobicContact CG2-CD1 4Å; I331-I364 HydrophobicContact CD1-CD1 4.29Å; I331-I364 HydrophobicContact CD1-CG1 4.44Å; T353-I364 HydrophobicContact CG2-CG2 3.32Å; Q354-I364 WeakPolarHBondContact O-CA 3.42Å; K355-I364 HydrophobicContact CG-CG1 4.37Å
365	G	94.2	Very high	91.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.4	173.2	0	0	0	0	0	111.9	I293 Q354	I293-G365 WeakPolarHBondContact O-CA 3.43Å; Q354-G365 PolarHBondContact N-O 2.7Å; Q354-G365 PolarHBondContact O-N 3Å
366	F	96.1	Very high	91.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.2	168	-56.5	-34.3	0	0	0	109.8	V292 I293 Y295 M323 A340 V343 T353 I380	V292-F366 HydrophobicContact CB-CB 4.38Å; V292-F366 WeakPolarHBondContact CB-O 3.36Å; V292-F366 PolarHBondContact N-O 3.03Å; I293-F366 HydrophobicContact CG2-CD2 3.73Å; I293-F366 HydrophobicContact CG2-CE2 4.49Å; I293-F366 PolarHBondContact O-N 3.33Å; Y295-F366 HydrophobicContact CD2-CE1 4.39Å; Y295-F366 AromaticContact CD2-CE2 3.81Å; Y295-F366 HydrophobicContact CD2-CE2 3.81Å; Y295-F366 AromaticContact CD2-CZ 3.44Å; Y295-F366 HydrophobicContact CD2-CZ 3.44Å; Y295-F366 VanDerWaalsContact CD2-CZ 3.44Å; Y295-F366 HydrophobicContact CE2-CZ 4.11Å; Y295-F366 HydrophobicContact CG-CZ 4.17Å; M323-F366 HydrophobicContact CE-CE1 4.06Å; M323-F366 HydrophobicContact CE-CZ 3.99Å; A340-F366 HydrophobicContact CB-CD2 4.35Å; A340-F366 HydrophobicContact CB-CE2 3.91Å; V343-F366 HydrophobicContact CB-CD2 4.19Å; V343-F366 HydrophobicContact CB-CE2 3.76Å; V343-F366 HydrophobicContact CG1-CD2 4.22Å; V343-F366 HydrophobicContact CG1-CE2 4.08Å; V343-F366 HydrophobicContact CG2-CD2 3.8Å; V343-F366 HydrophobicContact CG2-CE2 3.71Å; T353-F366 HydrophobicContact CG2-CD1 4.34Å; T353-F366 HydrophobicContact CG2-CE1 4.2Å; F366-I380 HydrophobicContact CD1-CG2 4.06Å; F366-I380 HydrophobicContact CE1-CD1 3.74Å; F366-I380 HydrophobicContact CE1-CG2 4.35Å; F366-I380 HydrophobicContact CG-CG2 4.29Å; F366-I380 HydrophobicContact CZ-CD1 3.82Å
367	F	95.7	Very high	92.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.5	-178.3	-71.2	-100.2	0	0	0	110.2	F259 S290 F291 C351 V352 Q354 W356 K369	F259-F367 HydrophobicContact CE2-CE2 4.38Å; F259-F367 AromaticContact CE2-CZ 3.96Å; F259-F367 HydrophobicContact CE2-CZ 3.96Å; F259-F367 HydrophobicContact CZ-CE2 4.11Å; F259-F367 HydrophobicContact CZ-CZ 4.15Å; S290-F367 WeakPolarHBondContact O-CA 3.28Å; F291-F367 HydrophobicContact CB-CD1 4.13Å; F291-F367 HydrophobicContact CB-CE1 3.64Å; F291-F367 HydrophobicContact CB-CZ 4.16Å; F291-F367 HydrophobicContact CD2-CD1 4.45Å; F291-F367 HydrophobicContact CD2-CD2 4.42Å; F291-F367 AromaticContact CD2-CE1 3.84Å; F291-F367 HydrophobicContact CD2-CE1 3.84Å; F291-F367 AromaticContact CD2-CE2 3.79Å; F291-F367 HydrophobicContact CD2-CE2 3.79Å; F291-F367 AromaticContact CD2-CZ 3.46Å; F291-F367 HydrophobicContact CD2-CZ 3.46Å; F291-F367 VanDerWaalsContact CD2-CZ 3.46Å; F291-F367 HydrophobicContact CE2-CE2 4.3Å; F291-F367 HydrophobicContact CE2-CZ 4.2Å; F291-F367 HydrophobicContact CG-CE1 4.14Å; F291-F367 HydrophobicContact CG-CZ 4.14Å; C351-F367 CarbonylContact C-O 3.55Å; C351-F367 VanDerWaalsContact CA-O 3.29Å; C351-F367 WeakPolarHBondContact CA-O 3.33Å; V352-F367 HydrophobicContact CG1-CB 4.33Å; V352-F367 PolarHBondContact N-O 3.38Å; V352-F367 PolarHBondContact O-N 3.35Å; Q354-F367 HydrophobicContact CB-CD2 3.72Å; Q354-F367 HydrophobicContact CB-CE2 3.82Å; Q354-F367 HydrophobicContact CG-CB 4.42Å; Q354-F367 HydrophobicContact CG-CD2 3.6Å; Q354-F367 HydrophobicContact CG-CE2 4.17Å; Q354-F367 HydrophobicContact CG-CG 4.18Å; W356-F367 AromaticContact CD1-CE2 3.79Å; W356-F367 AromaticContact CD1-CZ 3.96Å; W356-F367 AromaticContact CE2-CZ 3.74Å; W356-F367 HydrophobicContact CZ2-CE1 4.38Å; W356-F367 HydrophobicContact CZ2-CZ 4.13Å; W356-F367 AromaticContact NE1-CE2 3.41Å; W356-F367 AromaticContact NE1-CZ 3.32Å; W356-F367 VanDerWaalsContact NE1-CZ 3.32Å; F367-K369 PolarHBondContact O-N 3.03Å
368	A	96.4	Very high	92.6	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.5	179.5	0	0	0	0	0	110.8	V286 G289 S290 V292 E370 I372	V286-A368 HydrophobicContact CG1-CB 4.25Å; G289-A368 PolarHBondContact N-O 3.31Å; S290-A368 PolarHBondContact O-N 3.5Å; V292-A368 HydrophobicContact CG2-CB 4.34Å; A368-E370 WeakPolarHBondContact CB-O 3.48Å; A368-I372 HydrophobicContact CB-CD1 3.94Å; A368-I372 HydrophobicContact CB-CG1 4.41Å
369	K	94.2	Very high	92.9	Very high	98 Å²	98	38.1 Å²	38.1	43%	0.426	21%	0.211	S	C	.	.	S	Bend	trans	-79.7	-24.9	178.2	176.1	-179.9	145.1	-109.9	0	111.9	K288 P349 N350 F367	K288-K369 WeakPolarHBondContact CD-O 3.34Å; K288-K369 WeakPolarHBondContact CE-O 3.08Å; K288-K369 WeakPolarHBondContact CG-O 3.33Å; K288-K369 PolarHBondContact NZ-O 3.06Å; P349-K369 PolarHBondContact O-NZ 3.33Å; N350-K369 WeakPolarHBondContact O-CB 3.24Å; N350-K369 PolarHBondContact O-N 3.17Å; F367-K369 PolarHBondContact O-N 3.03Å
370	E	96.3	Very high	93.4	Very high	71 Å²	71	34.4 Å²	34.4	33%	0.332	19%	0.191	S	C	.	.	S	Bend	trans	-142.6	177.7	-177	57.2	-148.1	-143.6	0	0	109.7	K288 N350 A368	K288-E370 WeakPolarHBondContact CA-O 3.35Å; K288-E370 PolarHBondContact N-O 2.87Å; N350-E370 HydrophobicContact CB-CG 3.96Å; N350-E370 VanDerWaalsContact CB-OE1 3.28Å; N350-E370 WeakPolarHBondContact CB-OE1 3.32Å; A368-E370 WeakPolarHBondContact CB-O 3.48Å
371	D	97	Very high	94.1	Very high	108 Å²	108	37.1 Å²	37.1	58%	0.578	21%	0.205	S	C	*	.			trans	-77.2	126.9	171.1	-73.2	-21.5	0	0	0	108.8	K287 K288	K287-D371 WeakPolarHBondContact CA-OD1 3.43Å; K288-D371 PolarHBondContact N-OD1 2.69Å
372	I	96.9	Very high	94.2	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-108.6	110.5	-176.8	-58.1	175.7	0	0	0	108.1	A282 N285 V286 N350 A368 Q376	A282-I372 HydrophobicContact CB-CG2 4.01Å; N285-I372 WeakPolarHBondContact CA-O 3.46Å; V286-I372 HydrophobicContact CB-CB 4.29Å; V286-I372 PolarHBondContact N-O 3.18Å; V286-I372 PolarHBondContact O-N 2.85Å; N350-I372 HydrophobicContact CB-CD1 4.12Å; N350-I372 HydrophobicContact CB-CG1 4.12Å; A368-I372 HydrophobicContact CB-CD1 3.94Å; A368-I372 HydrophobicContact CB-CG1 4.41Å; I372-Q376 HydrophobicContact CG2-CB 3.93Å; I372-Q376 HydrophobicContact CG2-CG 4.48Å
373	P	97	Very high	93.3	Very high	71 Å²	71	41.1 Å²	41.1	46%	0.461	22%	0.22	S	C	.	.			trans	-65.1	156	175.7	-22.9	35.6	0	0	0	113.2	G375 Q376	P373-G375 PolarHBondContact O-N 3.03Å; P373-Q376 VanDerWaalsContact CD-OE1 3.3Å; P373-Q376 WeakPolarHBondContact O-CB 3.26Å; P373-Q376 PolarHBondContact O-N 2.95Å
374	S	96.3	Very high	91.8	Very high	64 Å²	64	41.6 Å²	41.6	45%	0.448	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	137.6	168.3	-173.8	0	0	0	0	110.8	T283 N285	T283-S374 PolarHBondContact O-OG 3.24Å; N285-S374 PolarHBondContact OD1-N 3.46Å
375	G	95.3	Very high	90.1	Very high	47 Å²	47	42.9 Å²	42.9	49%	0.485	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-7.1	-176.6	0	0	0	0	0	115.5	A282 P373	A282-G375 PolarHBondContact O-N 3.05Å; P373-G375 PolarHBondContact O-N 3.03Å
376	Q	96.7	Very high	88.2	Confident	72 Å²	72	44.4 Å²	44.4	34%	0.336	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-82	140.6	174.7	-162.9	-174.9	7.7	0	0	111.8	M281 A282 N350 I372 P373	M281-Q376 WeakPolarHBondContact CA-O 3.29Å; M281-Q376 WeakPolarHBondContact CG-O 3.49Å; A282-Q376 PolarHBondContact N-O 3.09Å; N350-Q376 VanDerWaalsContact ND2-CD 3.3Å; N350-Q376 PolarHBondContact ND2-NE2 3.47Å; I372-Q376 HydrophobicContact CG2-CB 3.93Å; I372-Q376 HydrophobicContact CG2-CG 4.48Å; P373-Q376 VanDerWaalsContact CD-OE1 3.3Å; P373-Q376 WeakPolarHBondContact O-CB 3.26Å; P373-Q376 PolarHBondContact O-N 2.95Å
377	E	97.5	Very high	86.1	Confident	34 Å²	34	48 Å²	48	16%	0.159	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133	169.6	-175.6	169.5	-159.4	0	0	110.7	F270 K276 N344 N350 T379	F270-E377 HydrophobicContact CE1-CB 4.18Å; F270-E377 HydrophobicContact CE1-CG 3.86Å; F270-E377 HydrophobicContact CZ-CB 3.94Å; F270-E377 HydrophobicContact CZ-CG 3.83Å; K276-E377 IonicContact NZ-OE1 2.76Å; K276-E377 IonicContact NZ-OE2 2.93Å; K276-E377 PolarHBondContact NZ-OE2 2.65Å; N344-E377 WeakPolarHBondContact CB-OE1 3.32Å; N344-E377 PolarHBondContact ND2-OE1 3.25Å; N350-E377 PolarHBondContact ND2-O 2.86Å; E377-T379 HydrophobicContact CB-CG2 4.43Å; E377-T379 HydrophobicContact CG-CG2 3.83Å
378	V	97.6	Very high	84.1	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.3	172.4	-175.4	0	0	0	0	107.9	T267 L280 V292 V343 C351	T267-V378 HydrophobicContact CG2-CG2 4.07Å; L280-V378 HydrophobicContact CB-CB 4.38Å; L280-V378 HydrophobicContact CD2-CB 4.43Å; L280-V378 HydrophobicContact CD2-CG2 4.47Å; L280-V378 PolarHBondContact O-N 3.43Å; V292-V378 HydrophobicContact CG1-CG1 4.11Å; V343-V378 HydrophobicContact CG1-CG1 4.11Å; V343-V378 WeakPolarHBondContact CG1-O 3.43Å; V343-V378 HydrophobicContact CG2-CG1 4.29Å; C351-V378 HydrophobicContact CB-CG1 4.4Å
379	T	97	Very high	81.9	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.092	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.6	-175.5	59.1	0	0	0	0	112.5	N344 S346 N350 C351 E377	N344-T379 VanDerWaalsContact O-CA 3.3Å; N344-T379 WeakPolarHBondContact O-CA 3.37Å; S346-T379 WeakPolarHBondContact CB-OG1 3.3Å; N350-T379 PolarHBondContact OD1-N 3.39Å; N350-T379 PolarHBondContact OD1-O 3.19Å; N350-T379 PolarHBondContact OD1-OG1 3.47Å; C351-T379 WeakPolarHBondContact CB-O 3.45Å; C351-T379 PolarHBondContact N-O 3.36Å; E377-T379 HydrophobicContact CB-CG2 4.43Å; E377-T379 HydrophobicContact CG-CG2 3.83Å
380	I	93.6	Very high	80.2	Confident	3 Å²	3	55 Å²	55	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.6	174.5	54	151.9	0	0	0	111.3	V343 N344 H345 S346 C351 F366 Y382	V343-I380 HydrophobicContact CG1-CG1 3.93Å; V343-I380 HydrophobicContact CG1-CG2 4.12Å; N344-I380 PolarHBondContact O-N 2.98Å; H345-I380 CarbonylContact C-O 3.55Å; H345-I380 VanDerWaalsContact CA-O 3.26Å; H345-I380 WeakPolarHBondContact CA-O 3.48Å; H345-I380 PolarHBondContact ND1-O 3.32Å; H345-I380 VanDerWaalsContact ND1-O 3.14Å; S346-I380 PolarHBondContact N-O 2.73Å; C351-I380 HydrophobicContact CB-CG2 3.68Å; F366-I380 HydrophobicContact CD1-CG2 4.06Å; F366-I380 HydrophobicContact CE1-CD1 3.74Å; F366-I380 HydrophobicContact CE1-CG2 4.35Å; F366-I380 HydrophobicContact CG-CG2 4.29Å; F366-I380 HydrophobicContact CZ-CD1 3.82Å; I380-Y382 HydrophobicContact CD1-CD1 3.73Å; I380-Y382 HydrophobicContact CD1-CE1 4.01Å; I380-Y382 HydrophobicContact CG1-CD1 3.78Å; I380-Y382 HydrophobicContact CG1-CE1 3.91Å; I380-Y382 PolarHBondContact O-N 2.9Å
381	D	88.3	Confident	78.8	Confident	63 Å²	63	56.7 Å²	56.7	34%	0.337	32%	0.318	S	S	.	.			trans	-75.8	113.7	160.9	173.4	18	0	0	0	108.5	H345 P349 Q383	H345-D381 IonicContact CE1-OD1 3.85Å; P349-D381 HydrophobicContact CG-CB 4.03Å; D381-Q383 HydrophobicContact CB-CG 4.4Å; D381-Q383 PolarHBondContact O-N 2.59Å; D381-Q383 WeakPolarHBondContact OD1-CA 3.37Å; D381-Q383 WeakPolarHBondContact OD1-CG 3.4Å; D381-Q383 PolarHBondContact OD1-N 3.47Å; D381-Q383 WeakPolarHBondContact OD2-CG 3.3Å; D381-Q383 PolarHBondContact OD2-NE2 3.09Å
382	Y	83.9	Confident	77.7	Confident	81 Å²	81	53.9 Å²	53.9	32%	0.318	30%	0.301	S	S	.	.			trans	-69.2	-19.8	176.3	-81.8	11.3	0	0	0	112.5	V343 H345 I380 F384	V343-Y382 WeakPolarHBondContact O-CE1 3.33Å; V343-Y382 PolarHBondContact O-OH 2.86Å; H345-Y382 HydrophobicContact CB-CD1 3.84Å; H345-Y382 HydrophobicContact CB-CD2 3.8Å; H345-Y382 HydrophobicContact CB-CE1 4.04Å; H345-Y382 HydrophobicContact CB-CE2 4Å; H345-Y382 HydrophobicContact CB-CG 3.72Å; H345-Y382 PolarHBondContact ND1-N 2.98Å; I380-Y382 HydrophobicContact CD1-CD1 3.73Å; I380-Y382 HydrophobicContact CD1-CE1 4.01Å; I380-Y382 HydrophobicContact CG1-CD1 3.78Å; I380-Y382 HydrophobicContact CG1-CE1 3.91Å; I380-Y382 PolarHBondContact O-N 2.9Å; Y382-F384 AromaticContact CD2-CD2 3.99Å; Y382-F384 HydrophobicContact CD2-CD2 3.99Å; Y382-F384 PolarHBondContact O-N 3.39Å; Y382-F384 VanDerWaalsContact O-N 3.1Å
383	Q	65.4	Low	77.1	Confident	92 Å²	92	60.3 Å²	60.3	43%	0.43	33%	0.329	S	S	.	.			trans	51.7	32.5	-171.6	-65.3	-167.5	9.3	0	0	113	D381 K419	D381-Q383 HydrophobicContact CB-CG 4.4Å; D381-Q383 PolarHBondContact O-N 2.59Å; D381-Q383 WeakPolarHBondContact OD1-CA 3.37Å; D381-Q383 WeakPolarHBondContact OD1-CG 3.4Å; D381-Q383 PolarHBondContact OD1-N 3.47Å; D381-Q383 WeakPolarHBondContact OD2-CG 3.3Å; D381-Q383 PolarHBondContact OD2-NE2 3.09Å; Q383-K419 HydrophobicContact CB-CD 4.43Å; Q383-K419 PolarHBondContact O-NZ 3.12Å
384	F	60.5	Low	76.8	Confident	38 Å²	38	57.6 Å²	57.6	17%	0.167	31%	0.312	C	S	.	.			trans	-57.7	147.6	-147.9	-171.1	-102.6	0	0	0	114.7	H320 Y382 Q386 M405 G406	H320-F384 HydrophobicContact CB-CE2 4.5Å; H320-F384 HydrophobicContact CB-CZ 4.47Å; Y382-F384 AromaticContact CD2-CD2 3.99Å; Y382-F384 HydrophobicContact CD2-CD2 3.99Å; Y382-F384 PolarHBondContact O-N 3.39Å; Y382-F384 VanDerWaalsContact O-N 3.1Å; F384-Q386 HydrophobicContact CE1-CB 4.3Å; F384-M405 WeakPolarHBondContact CD1-O 3.49Å; F384-G406 WeakPolarHBondContact O-CA 3.48Å
385	V	56.9	Low	76.6	Confident	29 Å²	29	59.4 Å²	59.4	18%	0.176	31%	0.309	C	S	.	.			trans	-121.5	97.2	-170	-171.1	0	0	0	0	108.1	Y387 V416	V385-Y387 HydrophobicContact CB-CD2 4.45Å; V385-Y387 HydrophobicContact CB-CE2 3.8Å; V385-Y387 HydrophobicContact CG1-CD2 4.29Å; V385-Y387 HydrophobicContact CG1-CE1 4.16Å; V385-Y387 HydrophobicContact CG1-CE2 3.61Å; V385-Y387 WeakPolarHBondContact O-CD2 3.22Å; V385-Y387 WeakPolarHBondContact O-CE2 3.41Å; V385-Y387 PolarHBondContact O-N 3.14Å; V385-V416 HydrophobicContact CB-CG1 4.44Å; V385-V416 HydrophobicContact CB-CG2 4.04Å; V385-V416 HydrophobicContact CG1-CB 4.09Å; V385-V416 HydrophobicContact CG1-CG1 4.09Å; V385-V416 HydrophobicContact CG1-CG2 3.64Å; V385-V416 HydrophobicContact CG2-CB 4.09Å; V385-V416 HydrophobicContact CG2-CG1 3.76Å; V385-V416 HydrophobicContact CG2-CG2 3.25Å
386	Q	54.8	Low	76.4	Confident	31 Å²	31	58.4 Å²	58.4	15%	0.145	30%	0.295	C	S	.	.			trans	-74.3	100.2	-175.2	-165.2	-171.2	-49.2	0	0	110.5	F384 G388 S390 T408	F384-Q386 HydrophobicContact CE1-CB 4.3Å; Q386-G388 WeakPolarHBondContact CG-O 3.47Å; Q386-G388 PolarHBondContact NE2-O 2.95Å; Q386-S390 VanDerWaalsContact NE2-C 3.28Å; Q386-S390 PolarHBondContact NE2-O 3.27Å; Q386-T408 VanDerWaalsContact OE1-CG2 3.27Å
387	Y	51.5	Low	76	Confident	78 Å²	78	58.8 Å²	58.8	31%	0.306	32%	0.318	S	S	.	.			trans	-80	-31.5	171.9	-66.6	-77.3	0	0	0	112.3	F305 I309 V385 Q413	F305-Y387 HydrophobicContact CE1-CE1 4.43Å; F305-Y387 HydrophobicContact CZ-CD2 4.43Å; F305-Y387 HydrophobicContact CZ-CE1 4.29Å; F305-Y387 AromaticContact CZ-CE2 3.84Å; F305-Y387 HydrophobicContact CZ-CE2 3.84Å; F305-Y387 AromaticContact CZ-CZ 3.77Å; I309-Y387 HydrophobicContact CD1-CD1 4.24Å; I309-Y387 HydrophobicContact CD1-CD2 4.16Å; I309-Y387 HydrophobicContact CD1-CG 3.93Å; V385-Y387 HydrophobicContact CB-CD2 4.45Å; V385-Y387 HydrophobicContact CB-CE2 3.8Å; V385-Y387 HydrophobicContact CG1-CD2 4.29Å; V385-Y387 HydrophobicContact CG1-CE1 4.16Å; V385-Y387 HydrophobicContact CG1-CE2 3.61Å; V385-Y387 WeakPolarHBondContact O-CD2 3.22Å; V385-Y387 WeakPolarHBondContact O-CE2 3.41Å; V385-Y387 PolarHBondContact O-N 3.14Å; Y387-Q413 HydrophobicContact CD1-CG 4.47Å; Y387-Q413 HydrophobicContact CE1-CG 4.28Å
388	G	52.4	Low	75.7	Confident	21 Å²	21	57.9 Å²	57.9	22%	0.216	32%	0.316	C	S	.	.	S	Bend	trans	-82.3	168.7	180	0	0	0	0	0	115	Q386	Q386-G388 WeakPolarHBondContact CG-O 3.47Å; Q386-G388 PolarHBondContact NE2-O 2.95Å
389	V	50	Low	75.2	Confident	149 Å²	149	63 Å²	63	90%	0.903	35%	0.352	S	S	*	.	S	Bend	trans	-76.5	-26.9	-172.2	-174.8	0	0	0	0	113.6
390	S	59.2	Low	74.7	Confident	85 Å²	85	67 Å²	67	59%	0.594	38%	0.377	S	S	*	.	S	Bend	trans	-99.3	129.6	-175.1	54.9	0	0	0	0	113.2	Q386	Q386-S390 VanDerWaalsContact NE2-C 3.28Å; Q386-S390 PolarHBondContact NE2-O 3.27Å
391	E	66.4	Low	74.4	Confident	105 Å²	105	68.9 Å²	68.9	49%	0.491	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63.3	131.4	171.3	-70.8	175.5	156.1	0	0	111.3	I404 T408	E391-I404 HydrophobicContact CB-CG2 4.24Å; E391-I404 HydrophobicContact CG-CG2 4.48Å; E391-T408 HydrophobicContact CG-CG2 3.53Å; E391-T408 WeakPolarHBondContact OE1-CB 3.14Å; E391-T408 WeakPolarHBondContact OE1-CG2 3.39Å; E391-T408 PolarHBondContact OE1-OG1 2.93Å
392	Q	74	Confident	74	Confident	49 Å²	49	69.9 Å²	69.9	23%	0.229	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-95.3	124.3	174.4	-63.7	-162	-39.8	0	0	109.5	A318 M405	A318-Q392 PolarHBondContact O-NE2 2.85Å; Q392-M405 HydrophobicContact CB-CB 4.43Å; Q392-M405 HydrophobicContact CB-CE 3.77Å; Q392-M405 PolarHBondContact O-N 2.71Å
393	K	85.9	Confident	74	Confident	138 Å²	138	67.7 Å²	67.7	60%	0.6	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-68.6	143.1	178	-68.1	-178.7	179	-177.8	0	110.9	Y395 G403	K393-Y395 HydrophobicContact CB-CD2 4.35Å; K393-Y395 HydrophobicContact CB-CE1 4.44Å; K393-Y395 HydrophobicContact CB-CE2 3.62Å; K393-Y395 VanDerWaalsContact O-CD2 3.29Å; K393-Y395 WeakPolarHBondContact O-CD2 3.43Å; K393-Y395 WeakPolarHBondContact O-CE2 3.24Å; K393-G403 CarbonylContact C-O 3.54Å; K393-G403 WeakPolarHBondContact CA-O 3.17Å
394	C	90	Very high	74.6	Confident	13 Å²	13	65.9 Å²	65.9	9%	0.088	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-90.4	127.9	174.3	-168.9	0	0	0	0	110.5	G403 M405	C394-G403 PolarHBondContact N-O 3.43Å; C394-M405 HydrophobicContact CB-CG 3.67Å
395	Y	91.2	Very high	75.2	Confident	102 Å²	102	65.7 Å²	65.7	40%	0.4	40%	0.397	S	S	.	.			trans	-118.7	28.9	-176.8	-61.1	-82.8	0	0	0	112.4	D275 K393	D275-Y395 HydrophobicContact CB-CD1 3.71Å; D275-Y395 HydrophobicContact CB-CD2 3.85Å; D275-Y395 HydrophobicContact CB-CE1 3.73Å; D275-Y395 HydrophobicContact CB-CE2 3.9Å; D275-Y395 HydrophobicContact CB-CG 3.74Å; K393-Y395 HydrophobicContact CB-CD2 4.35Å; K393-Y395 HydrophobicContact CB-CE1 4.44Å; K393-Y395 HydrophobicContact CB-CE2 3.62Å; K393-Y395 VanDerWaalsContact O-CD2 3.29Å; K393-Y395 WeakPolarHBondContact O-CD2 3.43Å; K393-Y395 WeakPolarHBondContact O-CE2 3.24Å
396	C	91.6	Very high	75.4	Confident	27 Å²	27	65.4 Å²	65.4	18%	0.182	40%	0.399	C	S	.	.			trans	-74.1	-22.2	-175.6	65.7	0	0	0	0	114.5	A398 C401	C396-A398 PolarHBondContact O-N 3.12Å; C396-A398 VanDerWaalsContact SG-CB 3.51Å; C396-C401 VanDerWaalsContact SG-SG 3.65Å
397	G	89	Confident	75.2	Confident	79 Å²	79	66.7 Å²	66.7	81%	0.814	42%	0.415	S	S	*	.			trans	76.9	0.7	-177.5	0	0	0	0	0	115.3
398	A	90	Very high	75	Confident	15 Å²	15	66.9 Å²	66.9	12%	0.124	42%	0.424	C	S	.	.			trans	-60	145.4	176.8	0	0	0	0	0	112.3	C347 E348 C396 T400 C401	C347-A398 HydrophobicContact CB-CB 4.14Å; E348-A398 HydrophobicContact CB-CB 3.9Å; E348-A398 HydrophobicContact CG-CB 3.82Å; C396-A398 PolarHBondContact O-N 3.12Å; C396-A398 VanDerWaalsContact SG-CB 3.51Å; A398-T400 VanDerWaalsContact C-N 3.28Å; A398-T400 PolarHBondContact O-N 2.93Å; A398-C401 HydrophobicContact CB-CB 4.3Å; A398-C401 WeakPolarHBondContact O-CB 3.28Å; A398-C401 PolarHBondContact O-N 3.1Å
399	S	87.8	Confident	74.7	Confident	110 Å²	110	68.8 Å²	68.8	77%	0.769	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-33.5	179.5	69.2	0	0	0	0	112.8	E348 C401	E348-S399 PolarHBondContact OE1-N 3.12Å; E348-S399 PolarHBondContact OE1-OG 2.66Å; S399-C401 VanDerWaalsContact C-N 3.33Å
400	T	86.8	Confident	74.5	Confident	100 Å²	100	70.5 Å²	70.5	61%	0.613	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	19.7	178.6	58.8	0	0	0	0	113	E348 A398 S402	E348-T400 WeakPolarHBondContact CG-OG1 3.19Å; E348-T400 PolarHBondContact OE1-N 2.88Å; E348-T400 PolarHBondContact OE1-OG1 3.5Å; A398-T400 VanDerWaalsContact C-N 3.28Å; A398-T400 PolarHBondContact O-N 2.93Å; T400-S402 PolarHBondContact O-N 3.21Å
401	C	87.4	Confident	73.6	Confident	42 Å²	42	71.8 Å²	71.8	28%	0.284	42%	0.422	S	S	.	.			trans	-65.2	126.5	-176.6	-177	0	0	0	0	112.6	C396 A398 S399 G403	C396-C401 VanDerWaalsContact SG-SG 3.65Å; A398-C401 HydrophobicContact CB-CB 4.3Å; A398-C401 WeakPolarHBondContact O-CB 3.28Å; A398-C401 PolarHBondContact O-N 3.1Å; S399-C401 VanDerWaalsContact C-N 3.33Å; C401-G403 PolarHBondContact O-N 3.14Å; C401-G403 PolarHBondContact SG-N 2.94Å
402	S	79.9	Confident	72.5	Confident	84 Å²	84	68.5 Å²	68.5	59%	0.587	41%	0.408	S	S	*	.			trans	-68.8	-8.2	173.8	56	0	0	0	0	114.5	T400 I404	T400-S402 PolarHBondContact O-N 3.21Å; S402-I404 PolarHBondContact O-N 3.38Å; S402-I404 PolarHBondContact OG-O 2.87Å
403	G	82.9	Confident	71	Confident	35 Å²	35	70.1 Å²	70.1	36%	0.361	42%	0.416	S	S	.	.	S	Bend	trans	69.9	-10.2	-172.9	0	0	0	0	0	115.4	K393 C394 C401	K393-G403 CarbonylContact C-O 3.54Å; K393-G403 WeakPolarHBondContact CA-O 3.17Å; C394-G403 PolarHBondContact N-O 3.43Å; C401-G403 PolarHBondContact O-N 3.14Å; C401-G403 PolarHBondContact SG-N 2.94Å
404	I	78.8	Confident	69.1	Low	54 Å²	54	68.1 Å²	68.1	28%	0.277	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-134	133.3	-176.6	-56.2	178.8	0	0	0	110.1	E391 S402 G406	E391-I404 HydrophobicContact CB-CG2 4.24Å; E391-I404 HydrophobicContact CG-CG2 4.48Å; S402-I404 PolarHBondContact O-N 3.38Å; S402-I404 PolarHBondContact OG-O 2.87Å; I404-G406 PolarHBondContact O-N 3.35Å
405	M	71.8	Confident	66.6	Low	34 Å²	34	70.6 Å²	70.6	17%	0.167	42%	0.418	C	S	.	.	S	Bend	trans	-83.3	105.8	176.7	-55.8	-159.3	-72	0	0	110.3	H345 F384 Q392 C394	H345-M405 HydrophobicContact CB-SD 4.06Å; F384-M405 WeakPolarHBondContact CD1-O 3.49Å; Q392-M405 HydrophobicContact CB-CB 4.43Å; Q392-M405 HydrophobicContact CB-CE 3.77Å; Q392-M405 PolarHBondContact O-N 2.71Å; C394-M405 HydrophobicContact CB-CG 3.67Å
406	G	61.9	Low	64.2	Low	22 Å²	22	67 Å²	67	23%	0.227	41%	0.407	C	S	.	.	S	Bend	trans	90.1	172.2	-176.4	0	0	0	0	0	113.3	F384 I404	F384-G406 WeakPolarHBondContact O-CA 3.48Å; I404-G406 PolarHBondContact O-N 3.35Å
407	A	51.3	Low	61.8	Low	58 Å²	58	73 Å²	73	48%	0.479	43%	0.425	S	S	.	.			trans	-120.7	123.5	-174.3	0	0	0	0	0	111.9	S409 L412	A407-S409 PolarHBondContact O-N 3.48Å; A407-L412 HydrophobicContact CB-CD1 3.63Å
408	T	46	Very low	59.5	Low	82 Å²	82	71.2 Å²	71.2	50%	0.503	40%	0.396	S	S	.	.			trans	-79.9	73.3	-166.7	23.2	0	0	0	0	114.4	Q386 E391	Q386-T408 VanDerWaalsContact OE1-CG2 3.27Å; E391-T408 HydrophobicContact CG-CG2 3.53Å; E391-T408 WeakPolarHBondContact OE1-CB 3.14Å; E391-T408 WeakPolarHBondContact OE1-CG2 3.39Å; E391-T408 PolarHBondContact OE1-OG1 2.93Å
409	S	47.4	Very low	57.2	Low	62 Å²	62	73.6 Å²	73.6	43%	0.434	40%	0.404	S	S	.	.			trans	-136.3	135.2	170.6	-170.9	0	0	0	0	113.2	A407 Y411 L412	A407-S409 PolarHBondContact O-N 3.48Å; S409-Y411 PolarHBondContact O-N 3.3Å; S409-Y411 WeakPolarHBondContact OG-CB 3.4Å; S409-Y411 PolarHBondContact OG-N 2.96Å; S409-L412 WeakPolarHBondContact O-CA 3.41Å; S409-L412 VanDerWaalsContact O-CB 3.3Å; S409-L412 WeakPolarHBondContact O-CB 3.38Å; S409-L412 PolarHBondContact O-N 3.13Å
410	K	45.4	Very low	55.2	Low	184 Å²	184	71.4 Å²	71.4	80%	0.8	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.7	170.4	-69.8	-174	175.2	-177.6	0	112.7	L412 Q413	K410-L412 PolarHBondContact O-N 3.17Å; K410-Q413 PolarHBondContact O-N 3.11Å
411	Y	40.8	Very low	53.7	Low	112 Å²	112	68.8 Å²	68.8	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-27.1	168.6	-176	-128	0	0	0	112.1	S409 E414 K415 Y671	S409-Y411 PolarHBondContact O-N 3.3Å; S409-Y411 WeakPolarHBondContact OG-CB 3.4Å; S409-Y411 PolarHBondContact OG-N 2.96Å; Y411-E414 PolarHBondContact O-N 3.33Å; Y411-K415 HydrophobicContact CD1-CD 3.8Å; Y411-K415 HydrophobicContact CD1-CG 4.04Å; Y411-K415 HydrophobicContact CE1-CD 3.65Å; Y411-K415 HydrophobicContact CE1-CG 3.93Å; Y411-K415 HydrophobicContact CG-CG 4.49Å; Y411-K415 PolarHBondContact O-N 3.37Å; Y411-Y671 WeakPolarHBondContact OH-CD2 3.36Å; Y411-Y671 WeakPolarHBondContact OH-CE2 3.27Å
412	L	42.4	Very low	52.3	Low	36 Å²	36	68.1 Å²	68.1	19%	0.188	36%	0.362	C	S	.	.	H	α-helix	trans	-78.9	-16.4	-179.3	-104.6	149.5	0	0	0	114.3	A407 S409 K410 E414 K415 V416	A407-L412 HydrophobicContact CB-CD1 3.63Å; S409-L412 WeakPolarHBondContact O-CA 3.41Å; S409-L412 VanDerWaalsContact O-CB 3.3Å; S409-L412 WeakPolarHBondContact O-CB 3.38Å; S409-L412 PolarHBondContact O-N 3.13Å; K410-L412 PolarHBondContact O-N 3.17Å; L412-E414 VanDerWaalsContact C-N 3.26Å; L412-K415 HydrophobicContact CD2-CB 3.89Å; L412-K415 HydrophobicContact CD2-CD 4.47Å; L412-K415 HydrophobicContact CG-CB 4.12Å; L412-K415 HydrophobicContact CG-CD 4.2Å; L412-K415 CarbonylContact O-C 3.49Å; L412-K415 PolarHBondContact O-N 3.35Å; L412-V416 HydrophobicContact CD2-CG2 4.27Å; L412-V416 VanDerWaalsContact O-CB 3.26Å; L412-V416 WeakPolarHBondContact O-CB 3.39Å; L412-V416 WeakPolarHBondContact O-CG2 3.3Å; L412-V416 PolarHBondContact O-N 3.47Å
413	Q	42.9	Very low	51.5	Low	84 Å²	84	68.8 Å²	68.8	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-36.1	166.6	-70.4	-179.6	-13.5	0	0	110.7	Y387 K410	Y387-Q413 HydrophobicContact CD1-CG 4.47Å; Y387-Q413 HydrophobicContact CE1-CG 4.28Å; K410-Q413 PolarHBondContact O-N 3.11Å
414	E	45.8	Very low	50.7	Low	95 Å²	95	68 Å²	68	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-74.4	-47.4	168.7	-151.5	68.6	-121	0	0	111.2	Y411 L412 V416 R417 M418	Y411-E414 PolarHBondContact O-N 3.33Å; L412-E414 VanDerWaalsContact C-N 3.26Å; E414-V416 PolarHBondContact O-N 3.36Å; E414-R417 WeakPolarHBondContact O-CB 3.38Å; E414-R417 PolarHBondContact O-N 3.36Å; E414-R417 VanDerWaalsContact O-N 3.13Å; E414-R417 IonicContact OE1-CZ 2.74Å; E414-R417 IonicContact OE1-NE 3.75Å; E414-R417 PolarHBondContact OE1-NE 2.87Å; E414-M418 HydrophobicContact CB-CE 3.95Å; E414-M418 HydrophobicContact CG-CE 3.59Å; E414-M418 WeakPolarHBondContact O-CG 3.35Å; E414-M418 PolarHBondContact O-N 3.42Å
415	K	38.2	Very low	50.3	Low	66 Å²	66	68.8 Å²	68.8	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-8.9	177	-62.3	-172.7	122.7	-179.3	0	114.4	Y411 L412 M418 K419	Y411-K415 HydrophobicContact CD1-CD 3.8Å; Y411-K415 HydrophobicContact CD1-CG 4.04Å; Y411-K415 HydrophobicContact CE1-CD 3.65Å; Y411-K415 HydrophobicContact CE1-CG 3.93Å; Y411-K415 HydrophobicContact CG-CG 4.49Å; Y411-K415 PolarHBondContact O-N 3.37Å; L412-K415 HydrophobicContact CD2-CB 3.89Å; L412-K415 HydrophobicContact CD2-CD 4.47Å; L412-K415 HydrophobicContact CG-CB 4.12Å; L412-K415 HydrophobicContact CG-CD 4.2Å; L412-K415 CarbonylContact O-C 3.49Å; L412-K415 PolarHBondContact O-N 3.35Å; K415-M418 HydrophobicContact CB-SD 4.45Å; K415-M418 HydrophobicContact CG-SD 4.15Å; K415-M418 CarbonylContact O-C 3.15Å; K415-M418 PolarHBondContact O-N 3.03Å; K415-K419 WeakPolarHBondContact O-CA 3.25Å; K415-K419 WeakPolarHBondContact O-CB 3.27Å; K415-K419 WeakPolarHBondContact O-CG 3.33Å; K415-K419 PolarHBondContact O-N 3.5Å
416	V	39.5	Very low	50.4	Low	27 Å²	27	75 Å²	75	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-89.6	-38.8	176.5	160	0	0	0	0	112.3	V385 L412 E414 M418 K419	V385-V416 HydrophobicContact CB-CG1 4.44Å; V385-V416 HydrophobicContact CB-CG2 4.04Å; V385-V416 HydrophobicContact CG1-CB 4.09Å; V385-V416 HydrophobicContact CG1-CG1 4.09Å; V385-V416 HydrophobicContact CG1-CG2 3.64Å; V385-V416 HydrophobicContact CG2-CB 4.09Å; V385-V416 HydrophobicContact CG2-CG1 3.76Å; V385-V416 HydrophobicContact CG2-CG2 3.25Å; L412-V416 HydrophobicContact CD2-CG2 4.27Å; L412-V416 VanDerWaalsContact O-CB 3.26Å; L412-V416 WeakPolarHBondContact O-CB 3.39Å; L412-V416 WeakPolarHBondContact O-CG2 3.3Å; L412-V416 PolarHBondContact O-N 3.47Å; E414-V416 PolarHBondContact O-N 3.36Å; V416-M418 PolarHBondContact O-N 2.94Å; V416-K419 PolarHBondContact O-N 3.31Å
417	R	41.2	Very low	51.4	Low	152 Å²	152	77.3 Å²	77.3	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-54.5	-38	155.9	-85.8	165.9	48.1	75.2	0.8	110.3	E414	E414-R417 WeakPolarHBondContact O-CB 3.38Å; E414-R417 PolarHBondContact O-N 3.36Å; E414-R417 VanDerWaalsContact O-N 3.13Å; E414-R417 IonicContact OE1-CZ 2.74Å; E414-R417 IonicContact OE1-NE 3.75Å; E414-R417 PolarHBondContact OE1-NE 2.87Å
418	M	41.3	Very low	52.9	Low	41 Å²	41	75.4 Å²	75.4	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-79.3	-1.4	172.5	-44.2	170.7	-156.9	0	0	115.6	E414 K415 V416 T421 T422 Y671	E414-M418 HydrophobicContact CB-CE 3.95Å; E414-M418 HydrophobicContact CG-CE 3.59Å; E414-M418 WeakPolarHBondContact O-CG 3.35Å; E414-M418 PolarHBondContact O-N 3.42Å; K415-M418 HydrophobicContact CB-SD 4.45Å; K415-M418 HydrophobicContact CG-SD 4.15Å; K415-M418 CarbonylContact O-C 3.15Å; K415-M418 PolarHBondContact O-N 3.03Å; V416-M418 PolarHBondContact O-N 2.94Å; M418-T421 VanDerWaalsContact C-OG1 3.29Å; M418-T421 WeakPolarHBondContact CA-OG1 3.33Å; M418-T421 CarbonylContact O-C 3Å; M418-T421 PolarHBondContact O-OG1 3.5Å; M418-T422 WeakPolarHBondContact O-CB 3.21Å; M418-T422 WeakPolarHBondContact O-CG2 3.41Å; M418-T422 PolarHBondContact O-N 3.44Å; M418-Y671 PolarHBondContact SD-OH 3.5Å
419	K	42	Very low	54.7	Low	66 Å²	66	75.4 Å²	75.4	29%	0.287	35%	0.349	S	S	.	.	H	α-helix	trans	-86.3	-42.1	-172.2	-109.6	-172.1	178.4	-169.9	0	112.9	Q383 K415 V416 T421 T422 M423	Q383-K419 HydrophobicContact CB-CD 4.43Å; Q383-K419 PolarHBondContact O-NZ 3.12Å; K415-K419 WeakPolarHBondContact O-CA 3.25Å; K415-K419 WeakPolarHBondContact O-CB 3.27Å; K415-K419 WeakPolarHBondContact O-CG 3.33Å; K415-K419 PolarHBondContact O-N 3.5Å; V416-K419 PolarHBondContact O-N 3.31Å; K419-T421 PolarHBondContact O-N 2.95Å; K419-T422 WeakPolarHBondContact CA-OG1 3.47Å; K419-T422 PolarHBondContact O-N 3.48Å; K419-T422 PolarHBondContact O-OG1 2.87Å; K419-M423 PolarHBondContact O-N 3.1Å; K419-M423 VanDerWaalsContact O-N 3.12Å
420	D	46.5	Very low	56.5	Low	64 Å²	64	77.4 Å²	77.4	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-41.6	165.4	-93.1	-51.4	0	0	0	110.3	K355 M423 V424	K355-D420 WeakPolarHBondContact CE-OD1 3.44Å; K355-D420 IonicContact NZ-OD1 3.84Å; K355-D420 PolarHBondContact NZ-OD1 3.48Å; K355-D420 IonicContact NZ-OD2 2.72Å; K355-D420 PolarHBondContact NZ-OD2 3.27Å; D420-M423 PolarHBondContact O-N 3.33Å; D420-V424 PolarHBondContact O-N 2.76Å
421	T	54.9	Low	58.6	Low	44 Å²	44	68.6 Å²	68.6	27%	0.27	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-40.2	171.1	76.2	0	0	0	0	111	M418 K419 M423 V424 E425	M418-T421 VanDerWaalsContact C-OG1 3.29Å; M418-T421 WeakPolarHBondContact CA-OG1 3.33Å; M418-T421 CarbonylContact O-C 3Å; M418-T421 PolarHBondContact O-OG1 3.5Å; K419-T421 PolarHBondContact O-N 2.95Å; T421-M423 VanDerWaalsContact C-N 3.27Å; T421-M423 PolarHBondContact O-N 3.38Å; T421-M423 VanDerWaalsContact O-N 3.16Å; T421-V424 CarbonylContact O-C 3.58Å; T421-V424 WeakPolarHBondContact O-CA 3.33Å; T421-V424 PolarHBondContact O-N 3.17Å; T421-E425 VanDerWaalsContact C-CD 3.5Å; T421-E425 WeakPolarHBondContact CB-OE1 3.41Å; T421-E425 VanDerWaalsContact O-CB 3.25Å; T421-E425 WeakPolarHBondContact O-CB 3.21Å; T421-E425 WeakPolarHBondContact O-CG 3.17Å; T421-E425 PolarHBondContact O-N 3.46Å; T421-E425 PolarHBondContact OG1-OE1 3.45Å
422	T	57.3	Low	60.8	Low	29 Å²	29	64.9 Å²	64.9	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-29.5	177.4	66.9	0	0	0	0	114.2	M418 K419 E425 R426	M418-T422 WeakPolarHBondContact O-CB 3.21Å; M418-T422 WeakPolarHBondContact O-CG2 3.41Å; M418-T422 PolarHBondContact O-N 3.44Å; K419-T422 WeakPolarHBondContact CA-OG1 3.47Å; K419-T422 PolarHBondContact O-N 3.48Å; K419-T422 PolarHBondContact O-OG1 2.87Å; T422-E425 WeakPolarHBondContact CA-OE2 3.33Å; T422-R426 VanDerWaalsContact O-CB 3.22Å; T422-R426 WeakPolarHBondContact O-CB 3.33Å; T422-R426 WeakPolarHBondContact O-CD 3.47Å; T422-R426 WeakPolarHBondContact O-CG 3.25Å; T422-R426 PolarHBondContact O-N 2.93Å
423	M	62.8	Low	62.9	Low	97 Å²	97	69.5 Å²	69.5	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-71	-44.8	172.4	-167.4	-169.5	-63.5	0	0	110.7	K419 D420 T421 R426 R427	K419-M423 PolarHBondContact O-N 3.1Å; K419-M423 VanDerWaalsContact O-N 3.12Å; D420-M423 PolarHBondContact O-N 3.33Å; T421-M423 VanDerWaalsContact C-N 3.27Å; T421-M423 PolarHBondContact O-N 3.38Å; T421-M423 VanDerWaalsContact O-N 3.16Å; M423-R426 PolarHBondContact O-N 2.91Å; M423-R427 WeakPolarHBondContact O-CD 3.22Å; M423-R427 VanDerWaalsContact O-CG 3.23Å; M423-R427 WeakPolarHBondContact O-CG 3.26Å; M423-R427 PolarHBondContact O-N 3.35Å; M423-R427 VanDerWaalsContact O-N 3.13Å
424	V	66.2	Low	65	Low	20 Å²	20	66.7 Å²	66.7	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-42.4	178.3	-178.9	0	0	0	0	111	D420 T421 R427 I428 Q452	D420-V424 PolarHBondContact O-N 2.76Å; T421-V424 CarbonylContact O-C 3.58Å; T421-V424 WeakPolarHBondContact O-CA 3.33Å; T421-V424 PolarHBondContact O-N 3.17Å; V424-R427 CarbonylContact O-C 3.56Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 3.09Å; V424-I428 HydrophobicContact CG1-CD1 3.89Å; V424-I428 HydrophobicContact CG1-CG1 4.41Å; V424-I428 VanDerWaalsContact O-CG1 3.25Å; V424-I428 WeakPolarHBondContact O-CG1 3.32Å; V424-I428 PolarHBondContact O-N 2.76Å; V424-Q452 HydrophobicContact CG1-CB 4.38Å; V424-Q452 HydrophobicContact CG1-CG 4.12Å; V424-Q452 HydrophobicContact CG2-CG 4.06Å
425	E	70	Confident	66.7	Low	69 Å²	69	67.8 Å²	67.8	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-45.6	171.9	-70.9	159.7	-158	0	0	111.7	T421 T422 R427 I428 L429	T421-E425 VanDerWaalsContact C-CD 3.5Å; T421-E425 WeakPolarHBondContact CB-OE1 3.41Å; T421-E425 VanDerWaalsContact O-CB 3.25Å; T421-E425 WeakPolarHBondContact O-CB 3.21Å; T421-E425 WeakPolarHBondContact O-CG 3.17Å; T421-E425 PolarHBondContact O-N 3.46Å; T421-E425 PolarHBondContact OG1-OE1 3.45Å; T422-E425 WeakPolarHBondContact CA-OE2 3.33Å; E425-R427 VanDerWaalsContact C-N 3.26Å; E425-R427 PolarHBondContact O-N 3.5Å; E425-I428 CarbonylContact O-C 3.47Å; E425-I428 PolarHBondContact O-N 2.76Å; E425-L429 WeakPolarHBondContact O-CB 3.25Å; E425-L429 VanDerWaalsContact O-CG 3.23Å; E425-L429 WeakPolarHBondContact O-CG 3Å; E425-L429 PolarHBondContact O-N 3.24Å
426	R	75.4	Confident	69	Low	165 Å²	165	66.5 Å²	66.5	62%	0.623	32%	0.318	S	S	*	.	H	α-helix	trans	-59.3	-39.3	174.3	-81.2	168.4	173.4	-174.8	-4.4	111.6	T422 M423 Q430	T422-R426 VanDerWaalsContact O-CB 3.22Å; T422-R426 WeakPolarHBondContact O-CB 3.33Å; T422-R426 WeakPolarHBondContact O-CD 3.47Å; T422-R426 WeakPolarHBondContact O-CG 3.25Å; T422-R426 PolarHBondContact O-N 2.93Å; M423-R426 PolarHBondContact O-N 2.91Å; R426-Q430 WeakPolarHBondContact O-CB 3.14Å; R426-Q430 WeakPolarHBondContact O-CG 3.42Å; R426-Q430 PolarHBondContact O-N 2.79Å
427	R	81.9	Confident	71.4	Confident	70 Å²	70	65.3 Å²	65.3	26%	0.264	31%	0.31	S	S	.	.	H	α-helix	trans	-71.4	-38.6	176	-65.4	167.5	163.6	-134.2	-11.6	112.3	M423 V424 E425 Q430 L431 L445 V449	M423-R427 WeakPolarHBondContact O-CD 3.22Å; M423-R427 VanDerWaalsContact O-CG 3.23Å; M423-R427 WeakPolarHBondContact O-CG 3.26Å; M423-R427 PolarHBondContact O-N 3.35Å; M423-R427 VanDerWaalsContact O-N 3.13Å; V424-R427 CarbonylContact O-C 3.56Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 3.09Å; E425-R427 VanDerWaalsContact C-N 3.26Å; E425-R427 PolarHBondContact O-N 3.5Å; R427-Q430 PolarHBondContact O-N 3.21Å; R427-L431 VanDerWaalsContact O-CG 3.26Å; R427-L431 WeakPolarHBondContact O-CG 3.46Å; R427-L431 PolarHBondContact O-N 2.83Å; R427-L445 HydrophobicContact CB-CD1 3.96Å; R427-L445 HydrophobicContact CG-CD1 3.86Å; R427-V449 HydrophobicContact CB-CG2 3.6Å
428	I	83.3	Confident	73.6	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-50	171	-70.2	162.1	0	0	0	109.5	V424 E425 Q430 L431 L432 V449 L455 T459	V424-I428 HydrophobicContact CG1-CD1 3.89Å; V424-I428 HydrophobicContact CG1-CG1 4.41Å; V424-I428 VanDerWaalsContact O-CG1 3.25Å; V424-I428 WeakPolarHBondContact O-CG1 3.32Å; V424-I428 PolarHBondContact O-N 2.76Å; E425-I428 CarbonylContact O-C 3.47Å; E425-I428 PolarHBondContact O-N 2.76Å; I428-Q430 VanDerWaalsContact C-N 3.34Å; I428-Q430 PolarHBondContact O-N 3.5Å; I428-L431 CarbonylContact O-C 3.6Å; I428-L431 WeakPolarHBondContact O-CB 3.06Å; I428-L431 PolarHBondContact O-N 3.19Å; I428-L432 HydrophobicContact CG2-CD1 3.7Å; I428-L432 HydrophobicContact CG2-CG 3.97Å; I428-L432 WeakPolarHBondContact O-CB 3.39Å; I428-L432 VanDerWaalsContact O-CG 3.29Å; I428-L432 WeakPolarHBondContact O-CG 3.4Å; I428-L432 PolarHBondContact O-N 3.45Å; I428-V449 HydrophobicContact CD1-CG1 4.35Å; I428-V449 HydrophobicContact CG1-CG1 3.57Å; I428-L455 HydrophobicContact CD1-CD2 3.58Å; I428-L455 HydrophobicContact CG1-CD2 4.15Å; I428-T459 HydrophobicContact CD1-CG2 4.34Å; I428-T459 HydrophobicContact CG2-CG2 3.98Å
429	L	83.5	Confident	75.7	Confident	83 Å²	83	65.2 Å²	65.2	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-43.1	178.4	-72.1	167.9	0	0	0	111.3	E425 L431 L432 Q433	E425-L429 WeakPolarHBondContact O-CB 3.25Å; E425-L429 VanDerWaalsContact O-CG 3.23Å; E425-L429 WeakPolarHBondContact O-CG 3Å; E425-L429 PolarHBondContact O-N 3.24Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L429-L431 PolarHBondContact O-N 3.17Å; L429-L432 PolarHBondContact O-N 2.86Å; L429-Q433 WeakPolarHBondContact O-CB 3.47Å; L429-Q433 WeakPolarHBondContact O-CG 3.26Å; L429-Q433 PolarHBondContact O-N 2.92Å
430	Q	86.2	Confident	77.6	Confident	103 Å²	103	62.3 Å²	62.3	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-56.6	-44.2	171.6	-76.6	166.2	-13.8	0	0	112.2	R426 R427 I428 L445	R426-Q430 WeakPolarHBondContact O-CB 3.14Å; R426-Q430 WeakPolarHBondContact O-CG 3.42Å; R426-Q430 PolarHBondContact O-N 2.79Å; R427-Q430 PolarHBondContact O-N 3.21Å; I428-Q430 VanDerWaalsContact C-N 3.34Å; I428-Q430 PolarHBondContact O-N 3.5Å; Q430-L445 HydrophobicContact CB-CD2 4.39Å
431	L	88.6	Confident	79.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-34.1	177.4	-67.9	164.5	0	0	0	113.3	R427 I428 L429 L434 F437 L445 L446 V449 L463	R427-L431 VanDerWaalsContact O-CG 3.26Å; R427-L431 WeakPolarHBondContact O-CG 3.46Å; R427-L431 PolarHBondContact O-N 2.83Å; I428-L431 CarbonylContact O-C 3.6Å; I428-L431 WeakPolarHBondContact O-CB 3.06Å; I428-L431 PolarHBondContact O-N 3.19Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L429-L431 PolarHBondContact O-N 3.17Å; L431-L434 WeakPolarHBondContact O-CB 3.39Å; L431-L434 PolarHBondContact O-N 2.73Å; L431-F437 HydrophobicContact CB-CE1 4.48Å; L431-F437 HydrophobicContact CD2-CD1 4.36Å; L431-F437 HydrophobicContact CD2-CE1 3.73Å; L431-L445 HydrophobicContact CD1-CG 4.22Å; L431-L445 HydrophobicContact CD2-CB 4.21Å; L431-L445 HydrophobicContact CD2-CD2 4.04Å; L431-L445 HydrophobicContact CD2-CG 4.05Å; L431-L445 HydrophobicContact CG-CD2 4.07Å; L431-L445 HydrophobicContact CG-CG 4.1Å; L431-L446 HydrophobicContact CD1-CB 4.45Å; L431-L446 HydrophobicContact CD2-CB 4.14Å; L431-V449 HydrophobicContact CD1-CB 4.01Å; L431-V449 HydrophobicContact CD1-CG1 4.25Å; L431-V449 HydrophobicContact CD1-CG2 3.87Å; L431-L463 HydrophobicContact CB-CD2 3.85Å; L431-L463 HydrophobicContact CD1-CD2 3.96Å
432	L	87.1	Confident	81	Confident	33 Å²	33	63.9 Å²	63.9	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-79.6	-23.4	179.8	-65.8	-171.3	0	0	0	112.9	I428 L429 L434 Q462 L463 R466	I428-L432 HydrophobicContact CG2-CD1 3.7Å; I428-L432 HydrophobicContact CG2-CG 3.97Å; I428-L432 WeakPolarHBondContact O-CB 3.39Å; I428-L432 VanDerWaalsContact O-CG 3.29Å; I428-L432 WeakPolarHBondContact O-CG 3.4Å; I428-L432 PolarHBondContact O-N 3.45Å; L429-L432 PolarHBondContact O-N 2.86Å; L432-L434 PolarHBondContact O-N 2.75Å; L432-Q462 HydrophobicContact CD1-CB 4.24Å; L432-Q462 HydrophobicContact CD2-CB 3.57Å; L432-L463 HydrophobicContact CD2-CD2 4.09Å; L432-L463 HydrophobicContact CD2-CG 4.49Å; L432-R466 HydrophobicContact CD2-CG 4.41Å; L432-R466 PolarHBondContact O-NH2 3.32Å
433	Q	87.2	Confident	82.5	Confident	134 Å²	134	62.5 Å²	62.5	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.4	168.5	-76.8	169.3	-4.8	0	0	113.1	L429	L429-Q433 WeakPolarHBondContact O-CB 3.47Å; L429-Q433 WeakPolarHBondContact O-CG 3.26Å; L429-Q433 PolarHBondContact O-N 2.92Å
434	L	85.5	Confident	83.6	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.131	28%	0.28	C	S	.	.			trans	-83	137.7	169.4	-55.2	-179.2	0	0	0	110	L431 L432 F437 R438 D442 R466	L431-L434 WeakPolarHBondContact O-CB 3.39Å; L431-L434 PolarHBondContact O-N 2.73Å; L432-L434 PolarHBondContact O-N 2.75Å; L434-F437 HydrophobicContact CD1-CD1 3.96Å; L434-F437 HydrophobicContact CD1-CE1 4.34Å; L434-R438 VanDerWaalsContact CD2-NH2 3.29Å; L434-D442 HydrophobicContact CD1-CB 4.25Å; L434-R466 WeakPolarHBondContact O-CD 3.37Å; L434-R466 PolarHBondContact O-NE 2.93Å
435	D	83.4	Confident	84.5	Confident	117 Å²	117	59.6 Å²	59.6	63%	0.626	28%	0.284	S	S	*	.	S	Bend	trans	-72.2	-33.8	167.9	-68.4	-62.5	0	0	0	112.4	R466	D435-R466 WeakPolarHBondContact O-CD 3.49Å
436	S	86.3	Confident	85.5	Confident	40 Å²	40	56.4 Å²	56.4	28%	0.28	27%	0.269	S	S	.	.	S	Bend	trans	-157.3	162.1	-179.4	57.2	0	0	0	0	111
437	F	89.4	Confident	86	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.239	C	C	.	.			trans	-86.6	133.4	179	-52	-56.8	0	0	0	111.2	L431 L434 D442 I443 L446 R466 L467 T470	L431-F437 HydrophobicContact CB-CE1 4.48Å; L431-F437 HydrophobicContact CD2-CD1 4.36Å; L431-F437 HydrophobicContact CD2-CE1 3.73Å; L434-F437 HydrophobicContact CD1-CD1 3.96Å; L434-F437 HydrophobicContact CD1-CE1 4.34Å; F437-D442 HydrophobicContact CB-CB 4.08Å; F437-D442 HydrophobicContact CD1-CB 4.09Å; F437-I443 HydrophobicContact CB-CD1 3.61Å; F437-I443 HydrophobicContact CB-CG1 4.28Å; F437-I443 HydrophobicContact CD2-CD1 3.83Å; F437-I443 HydrophobicContact CG-CD1 3.85Å; F437-L446 HydrophobicContact CD2-CD2 4.15Å; F437-L446 HydrophobicContact CE2-CD1 4.43Å; F437-L446 HydrophobicContact CE2-CD2 3.62Å; F437-L446 HydrophobicContact CZ-CD1 4.01Å; F437-L446 HydrophobicContact CZ-CD2 3.95Å; F437-L446 HydrophobicContact CZ-CG 4.4Å; F437-R466 HydrophobicContact CE1-CB 4.31Å; F437-R466 HydrophobicContact CE2-CB 3.93Å; F437-R466 HydrophobicContact CZ-CB 3.61Å; F437-L467 HydrophobicContact CD2-CD1 3.93Å; F437-L467 HydrophobicContact CE2-CB 3.97Å; F437-L467 HydrophobicContact CE2-CD1 4.07Å; F437-T470 HydrophobicContact CB-CG2 4.24Å; F437-T470 WeakPolarHBondContact CD2-OG1 3.27Å; F437-T470 PolarHBondContact N-OG1 3.09Å; F437-T470 WeakPolarHBondContact O-CG2 3.47Å
438	R	87	Confident	86	Confident	148 Å²	148	46.8 Å²	46.8	56%	0.558	23%	0.234	S	C	*	.			trans	-116.9	-28.4	-164.1	-57.6	164.8	-61.8	179.6	4.8	113.4	L434 D442 N472	L434-R438 VanDerWaalsContact CD2-NH2 3.29Å; R438-D442 WeakPolarHBondContact CB-OD2 3.28Å; R438-D442 PolarHBondContact N-OD2 3.1Å; R438-D442 IonicContact NE-OD2 3.75Å; R438-D442 IonicContact NH2-OD1 3.68Å; R438-N472 PolarHBondContact O-ND2 2.97Å; R438-N472 VanDerWaalsContact O-ND2 3.13Å
439	N	85.8	Confident	86	Confident	44 Å²	44	46 Å²	46	24%	0.235	23%	0.23	C	C	.	.	S	Bend	trans	-137.6	-172.3	-174.6	65	59	0	0	0	111.5	D441 D442 C475	N439-D441 WeakPolarHBondContact OD1-CA 3.47Å; N439-D441 WeakPolarHBondContact OD1-CB 3.49Å; N439-D441 PolarHBondContact OD1-N 3.32Å; N439-D442 PolarHBondContact N-OD2 3.33Å; N439-D442 PolarHBondContact ND2-OD1 3.22Å; N439-D442 PolarHBondContact ND2-OD2 3.24Å; N439-D442 PolarHBondContact OD1-N 3.39Å; N439-D442 PolarHBondContact OD1-OD1 3.07Å; N439-C475 PolarHBondContact N-SG 3.22Å; N439-C475 PolarHBondContact O-SG 3.42Å; N439-C475 VanDerWaalsContact O-SG 3.35Å
440	A	82	Confident	86	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-81.5	-27.8	179.9	0	0	0	0	0	114.4	I443 T444 L478 I732	A440-I443 PolarHBondContact O-N 3.43Å; A440-T444 WeakPolarHBondContact O-CB 3.47Å; A440-T444 PolarHBondContact O-N 3.5Å; A440-T444 PolarHBondContact O-OG1 2.97Å; A440-L478 HydrophobicContact CB-CD1 3.41Å; A440-L478 VanDerWaalsContact CB-CD1 3.41Å; A440-I732 HydrophobicContact CB-CD1 3.31Å; A440-I732 HydrophobicContact CB-CG1 3.85Å
441	D	84.2	Confident	85.4	Confident	123 Å²	123	38.2 Å²	38.2	66%	0.658	19%	0.192	S	C	*	.	H	α-helix	trans	-70.6	-40	177.1	-59.7	-45.1	0	0	0	110.7	N439 I443 T444 L445	N439-D441 WeakPolarHBondContact OD1-CA 3.47Å; N439-D441 WeakPolarHBondContact OD1-CB 3.49Å; N439-D441 PolarHBondContact OD1-N 3.32Å; D441-I443 VanDerWaalsContact C-N 3.32Å; D441-I443 PolarHBondContact O-N 3.22Å; D441-T444 PolarHBondContact O-N 3.14Å; D441-L445 WeakPolarHBondContact O-CB 3.46Å; D441-L445 PolarHBondContact O-N 2.93Å
442	D	88.8	Confident	84.5	Confident	17 Å²	17	41.6 Å²	41.6	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-54.4	-47.2	172.4	-64.9	-11.8	0	0	0	110.5	L434 F437 R438 N439 L446	L434-D442 HydrophobicContact CD1-CB 4.25Å; F437-D442 HydrophobicContact CB-CB 4.08Å; F437-D442 HydrophobicContact CD1-CB 4.09Å; R438-D442 WeakPolarHBondContact CB-OD2 3.28Å; R438-D442 PolarHBondContact N-OD2 3.1Å; R438-D442 IonicContact NE-OD2 3.75Å; R438-D442 IonicContact NH2-OD1 3.68Å; N439-D442 PolarHBondContact N-OD2 3.33Å; N439-D442 PolarHBondContact ND2-OD1 3.22Å; N439-D442 PolarHBondContact ND2-OD2 3.24Å; N439-D442 PolarHBondContact OD1-N 3.39Å; N439-D442 PolarHBondContact OD1-OD1 3.07Å; D442-L446 WeakPolarHBondContact O-CB 2.97Å; D442-L446 PolarHBondContact O-N 2.94Å
443	I	89	Confident	83.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.9	-36.1	179.4	-63.6	-62	0	0	0	112.1	F437 A440 D441 L446 L447 C475 L478 F479 Y482	F437-I443 HydrophobicContact CB-CD1 3.61Å; F437-I443 HydrophobicContact CB-CG1 4.28Å; F437-I443 HydrophobicContact CD2-CD1 3.83Å; F437-I443 HydrophobicContact CG-CD1 3.85Å; A440-I443 PolarHBondContact O-N 3.43Å; D441-I443 VanDerWaalsContact C-N 3.32Å; D441-I443 PolarHBondContact O-N 3.22Å; I443-L446 HydrophobicContact CD1-CD2 4.37Å; I443-L446 WeakPolarHBondContact O-CB 3.27Å; I443-L446 PolarHBondContact O-N 2.95Å; I443-L447 HydrophobicContact CG2-CD1 4.19Å; I443-L447 WeakPolarHBondContact O-CG 3.35Å; I443-L447 PolarHBondContact O-N 3.41Å; I443-C475 HydrophobicContact CD1-CB 4.11Å; I443-C475 HydrophobicContact CG1-CB 3.92Å; I443-L478 HydrophobicContact CG2-CB 4.26Å; I443-F479 HydrophobicContact CD1-CB 4.46Å; I443-F479 HydrophobicContact CG2-CB 4.02Å; I443-F479 HydrophobicContact CG2-CD2 4.47Å; I443-Y482 HydrophobicContact CG2-CD2 4.15Å
444	T	84.9	Confident	82	Confident	20 Å²	20	40.5 Å²	40.5	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-41.7	174.8	-59.7	0	0	0	0	110.6	A239 L240 A440 D441 L447 Q448	A239-T444 HydrophobicContact CB-CG2 3.94Å; A239-T444 WeakPolarHBondContact O-CG2 3.11Å; L240-T444 HydrophobicContact CD2-CG2 4.32Å; A440-T444 WeakPolarHBondContact O-CB 3.47Å; A440-T444 PolarHBondContact O-N 3.5Å; A440-T444 PolarHBondContact O-OG1 2.97Å; D441-T444 PolarHBondContact O-N 3.14Å; T444-L447 PolarHBondContact O-N 3.23Å; T444-Q448 WeakPolarHBondContact O-CB 3.35Å; T444-Q448 WeakPolarHBondContact O-CG 3.38Å; T444-Q448 PolarHBondContact O-N 2.96Å
445	L	85.7	Confident	81.5	Confident	37 Å²	37	39.7 Å²	39.7	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.9	-176.7	62.6	0	0	0	111.5	R427 Q430 L431 D441 L447 Q448 V449	R427-L445 HydrophobicContact CB-CD1 3.96Å; R427-L445 HydrophobicContact CG-CD1 3.86Å; Q430-L445 HydrophobicContact CB-CD2 4.39Å; L431-L445 HydrophobicContact CD1-CG 4.22Å; L431-L445 HydrophobicContact CD2-CB 4.21Å; L431-L445 HydrophobicContact CD2-CD2 4.04Å; L431-L445 HydrophobicContact CD2-CG 4.05Å; L431-L445 HydrophobicContact CG-CD2 4.07Å; L431-L445 HydrophobicContact CG-CG 4.1Å; D441-L445 WeakPolarHBondContact O-CB 3.46Å; D441-L445 PolarHBondContact O-N 2.93Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.27Å; L445-Q448 PolarHBondContact O-N 3.45Å; L445-V449 WeakPolarHBondContact O-CB 3.44Å; L445-V449 WeakPolarHBondContact O-CG2 3.34Å; L445-V449 PolarHBondContact O-N 3.44Å
446	L	89.9	Confident	81.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-53.6	-50.4	171.7	173.7	66.3	0	0	0	111.1	L431 F437 D442 I443 V449 M450 L463 L467 F479	L431-L446 HydrophobicContact CD1-CB 4.45Å; L431-L446 HydrophobicContact CD2-CB 4.14Å; F437-L446 HydrophobicContact CD2-CD2 4.15Å; F437-L446 HydrophobicContact CE2-CD1 4.43Å; F437-L446 HydrophobicContact CE2-CD2 3.62Å; F437-L446 HydrophobicContact CZ-CD1 4.01Å; F437-L446 HydrophobicContact CZ-CD2 3.95Å; F437-L446 HydrophobicContact CZ-CG 4.4Å; D442-L446 WeakPolarHBondContact O-CB 2.97Å; D442-L446 PolarHBondContact O-N 2.94Å; I443-L446 HydrophobicContact CD1-CD2 4.37Å; I443-L446 WeakPolarHBondContact O-CB 3.27Å; I443-L446 PolarHBondContact O-N 2.95Å; L446-V449 PolarHBondContact O-N 3.36Å; L446-M450 HydrophobicContact CD1-CG 4.07Å; L446-M450 HydrophobicContact CD1-SD 3.81Å; L446-M450 HydrophobicContact CD2-SD 4.36Å; L446-M450 HydrophobicContact CG-CG 4.38Å; L446-M450 HydrophobicContact CG-SD 3.82Å; L446-M450 WeakPolarHBondContact O-CG 3.35Å; L446-M450 PolarHBondContact O-N 3.33Å; L446-L463 HydrophobicContact CD1-CB 4.15Å; L446-L463 HydrophobicContact CD1-CD1 4.45Å; L446-L463 HydrophobicContact CD1-CD2 3.95Å; L446-L463 HydrophobicContact CD1-CG 4.41Å; L446-L467 HydrophobicContact CD2-CD1 4.28Å; L446-L467 HydrophobicContact CD2-CD2 4.36Å; L446-F479 HydrophobicContact CD2-CD2 3.84Å; L446-F479 HydrophobicContact CD2-CE2 3.88Å
447	L	86.7	Confident	81.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.3	-38.8	-179.3	-70.9	168	0	0	0	112.5	L240 I443 T444 L445 V449 M450 V451 F479 Y482 M487	L240-L447 HydrophobicContact CD1-CB 4.26Å; L240-L447 HydrophobicContact CD2-CB 3.61Å; I443-L447 HydrophobicContact CG2-CD1 4.19Å; I443-L447 WeakPolarHBondContact O-CG 3.35Å; I443-L447 PolarHBondContact O-N 3.41Å; T444-L447 PolarHBondContact O-N 3.23Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.27Å; L447-V449 PolarHBondContact O-N 2.94Å; L447-M450 PolarHBondContact O-N 3.15Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 VanDerWaalsContact O-CG2 3.23Å; L447-V451 WeakPolarHBondContact O-CG2 3.46Å; L447-V451 PolarHBondContact O-N 3.39Å; L447-F479 HydrophobicContact CD1-CD2 4.49Å; L447-F479 HydrophobicContact CD2-CD2 3.97Å; L447-F479 HydrophobicContact CD2-CE2 3.63Å; L447-F479 HydrophobicContact CD2-CZ 4.45Å; L447-F479 HydrophobicContact CG-CD2 4.23Å; L447-F479 HydrophobicContact CG-CE2 4.3Å; L447-Y482 VanDerWaalsContact CD1-CB 3.41Å; L447-Y482 HydrophobicContact CD1-CD2 4.2Å; L447-Y482 HydrophobicContact CD1-CG 4.33Å; L447-M487 HydrophobicContact CD2-CG 4.38Å
448	Q	81.3	Confident	81.2	Confident	33 Å²	33	47 Å²	47	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-32.1	171.5	-77.1	-179.5	18.7	0	0	112.3	A239 L240 T444 L445 Q452	A239-Q448 PolarHBondContact O-NE2 2.97Å; L240-Q448 HydrophobicContact CD2-CG 3.86Å; T444-Q448 WeakPolarHBondContact O-CB 3.35Å; T444-Q448 WeakPolarHBondContact O-CG 3.38Å; T444-Q448 PolarHBondContact O-N 2.96Å; L445-Q448 PolarHBondContact O-N 3.45Å; Q448-Q452 WeakPolarHBondContact O-CG 3.39Å; Q448-Q452 PolarHBondContact O-NE2 2.68Å
449	V	82.7	Confident	81.1	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-81.7	-42.8	176.6	167.6	0	0	0	0	111.7	R427 I428 L431 L445 L446 L447 V451 Q452 L455 L463	R427-V449 HydrophobicContact CB-CG2 3.6Å; I428-V449 HydrophobicContact CD1-CG1 4.35Å; I428-V449 HydrophobicContact CG1-CG1 3.57Å; L431-V449 HydrophobicContact CD1-CB 4.01Å; L431-V449 HydrophobicContact CD1-CG1 4.25Å; L431-V449 HydrophobicContact CD1-CG2 3.87Å; L445-V449 WeakPolarHBondContact O-CB 3.44Å; L445-V449 WeakPolarHBondContact O-CG2 3.34Å; L445-V449 PolarHBondContact O-N 3.44Å; L446-V449 PolarHBondContact O-N 3.36Å; L447-V449 PolarHBondContact O-N 2.94Å; V449-V451 VanDerWaalsContact C-N 3.26Å; V449-V451 PolarHBondContact O-N 2.86Å; V449-Q452 WeakPolarHBondContact O-CB 3.45Å; V449-Q452 WeakPolarHBondContact O-CG 3.34Å; V449-Q452 PolarHBondContact O-N 3.38Å; V449-Q452 VanDerWaalsContact O-N 3.08Å; V449-L455 HydrophobicContact CG1-CD1 4.37Å; V449-L455 HydrophobicContact CG1-CD2 3.88Å; V449-L463 HydrophobicContact CG1-CD1 3.96Å
450	M	84	Confident	81.2	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-26.2	177.6	-71.4	179.9	78.6	0	0	113.8	L446 L447 Q452 L455 F479 M487 L488 F491	L446-M450 HydrophobicContact CD1-CG 4.07Å; L446-M450 HydrophobicContact CD1-SD 3.81Å; L446-M450 HydrophobicContact CD2-SD 4.36Å; L446-M450 HydrophobicContact CG-CG 4.38Å; L446-M450 HydrophobicContact CG-SD 3.82Å; L446-M450 WeakPolarHBondContact O-CG 3.35Å; L446-M450 PolarHBondContact O-N 3.33Å; L447-M450 PolarHBondContact O-N 3.15Å; M450-Q452 VanDerWaalsContact C-N 3.26Å; M450-Q452 PolarHBondContact O-N 3.5Å; M450-L455 HydrophobicContact CG-CD1 4.48Å; M450-F479 HydrophobicContact CE-CZ 4.34Å; M450-F479 HydrophobicContact SD-CE2 3.88Å; M450-F479 HydrophobicContact SD-CZ 4.26Å; M450-M487 HydrophobicContact CB-CG 4.5Å; M450-M487 HydrophobicContact CE-CB 4.05Å; M450-L488 HydrophobicContact CE-CD2 4.17Å; M450-F491 HydrophobicContact CB-CZ 4.42Å; M450-F491 HydrophobicContact CE-CD2 4.29Å; M450-F491 HydrophobicContact CE-CE1 4.41Å; M450-F491 HydrophobicContact CE-CE2 3.69Å; M450-F491 HydrophobicContact CE-CZ 3.75Å; M450-F491 HydrophobicContact CG-CZ 4.23Å
451	V	74.7	Confident	81.6	Confident	19 Å²	19	40.7 Å²	40.7	12%	0.115	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-17	173.4	165.1	0	0	0	0	112.7	M209 W212 L447 V449 M487	M209-V451 HydrophobicContact CE-CB 4.16Å; M209-V451 HydrophobicContact CE-CG1 3.97Å; M209-V451 HydrophobicContact CE-CG2 4.16Å; M209-V451 HydrophobicContact SD-CG1 4.06Å; W212-V451 HydrophobicContact CH2-CG2 3.71Å; W212-V451 HydrophobicContact CZ3-CG2 3.86Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 VanDerWaalsContact O-CG2 3.23Å; L447-V451 WeakPolarHBondContact O-CG2 3.46Å; L447-V451 PolarHBondContact O-N 3.39Å; V449-V451 VanDerWaalsContact C-N 3.26Å; V449-V451 PolarHBondContact O-N 2.86Å; V451-M487 HydrophobicContact CG2-SD 3.82Å
452	Q	68.8	Low	81.9	Confident	72 Å²	72	37 Å²	37	34%	0.336	18%	0.181	S	C	.	.	S	Bend	trans	-78.5	126.8	178.4	-49.9	-55.8	-49.7	0	0	111.1	V424 Q448 V449 M450 C454	V424-Q452 HydrophobicContact CG1-CB 4.38Å; V424-Q452 HydrophobicContact CG1-CG 4.12Å; V424-Q452 HydrophobicContact CG2-CG 4.06Å; Q448-Q452 WeakPolarHBondContact O-CG 3.39Å; Q448-Q452 PolarHBondContact O-NE2 2.68Å; V449-Q452 WeakPolarHBondContact O-CB 3.45Å; V449-Q452 WeakPolarHBondContact O-CG 3.34Å; V449-Q452 PolarHBondContact O-N 3.38Å; V449-Q452 VanDerWaalsContact O-N 3.08Å; M450-Q452 VanDerWaalsContact C-N 3.26Å; M450-Q452 PolarHBondContact O-N 3.5Å; Q452-C454 PolarHBondContact O-N 3.31Å
453	E	59.8	Low	82.1	Confident	69 Å²	69	36.3 Å²	36.3	32%	0.322	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14	-176.6	-53.4	-160.3	153.6	0	0	114	S203 L205 H206 L455	S203-E453 WeakPolarHBondContact CA-OE1 3.27Å; S203-E453 VanDerWaalsContact CB-CD 3.44Å; S203-E453 VanDerWaalsContact CB-OE1 3.27Å; S203-E453 WeakPolarHBondContact CB-OE1 3.47Å; S203-E453 WeakPolarHBondContact CB-OE2 3.4Å; S203-E453 PolarHBondContact N-OE1 3.14Å; S203-E453 PolarHBondContact N-OE2 3.05Å; L205-E453 HydrophobicContact CB-CG 4.46Å; L205-E453 HydrophobicContact CD1-CB 4.29Å; L205-E453 HydrophobicContact CD1-CG 4.01Å; H206-E453 WeakPolarHBondContact CB-OE1 3.42Å; H206-E453 IonicContact CD2-OE1 2.69Å; H206-E453 PolarHBondContact CD2-OE1 3.2Å; H206-E453 VanDerWaalsContact CD2-OE1 3.29Å; H206-E453 IonicContact CG-OE1 3.95Å; H206-E453 PolarHBondContact N-OE1 2.9Å; E453-L455 PolarHBondContact O-N 3.39Å
454	C	63	Low	82.3	Confident	75 Å²	75	36.4 Å²	36.4	51%	0.507	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.9	-171.6	60.8	0	0	0	0	116.4	Q452 T456	Q452-C454 PolarHBondContact O-N 3.31Å; C454-T456 PolarHBondContact O-N 3.3Å
455	L	75.2	Confident	82.6	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	18%	0.184	C	C	.	.			trans	-67.1	117.7	179.9	-69.4	-176.6	0	0	0	113	I428 V449 M450 E453 R460 L463 F491	I428-L455 HydrophobicContact CD1-CD2 3.58Å; I428-L455 HydrophobicContact CG1-CD2 4.15Å; V449-L455 HydrophobicContact CG1-CD1 4.37Å; V449-L455 HydrophobicContact CG1-CD2 3.88Å; M450-L455 HydrophobicContact CG-CD1 4.48Å; E453-L455 PolarHBondContact O-N 3.39Å; L455-R460 HydrophobicContact CB-CG 3.91Å; L455-R460 PolarHBondContact O-NE 3.31Å; L455-R460 PolarHBondContact O-NH2 3.23Å; L455-L463 HydrophobicContact CD1-CD1 4.08Å; L455-L463 HydrophobicContact CD2-CD1 4.43Å; L455-F491 HydrophobicContact CD1-CZ 3.95Å
456	T	80.6	Confident	82.9	Confident	75 Å²	75	37.8 Å²	37.8	46%	0.46	18%	0.182	S	C	.	.			trans	-65.2	157.3	174	64.9	0	0	0	0	112.3	C454 Y458 T459 R460	C454-T456 PolarHBondContact O-N 3.3Å; T456-Y458 VanDerWaalsContact C-N 3.28Å; T456-Y458 PolarHBondContact O-N 3.27Å; T456-T459 PolarHBondContact N-OG1 2.95Å; T456-T459 VanDerWaalsContact N-OG1 3.08Å; T456-T459 PolarHBondContact O-N 3.4Å; T456-T459 VanDerWaalsContact O-N 3.09Å; T456-T459 PolarHBondContact O-OG1 3.49Å; T456-T459 WeakPolarHBondContact OG1-CG2 3.25Å; T456-T459 PolarHBondContact OG1-N 2.94Å; T456-T459 PolarHBondContact OG1-OG1 3.47Å; T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 3.13Å
457	R	85.8	Confident	83	Confident	90 Å²	90	37.9 Å²	37.9	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-49.7	-46.9	175.3	-175.9	-178.7	176.8	-89.2	-10.1	112.7	R460 L461 D499	R457-R460 PolarHBondContact O-N 2.74Å; R457-L461 HydrophobicContact CG-CD1 4.31Å; R457-L461 WeakPolarHBondContact O-CG 3.35Å; R457-L461 PolarHBondContact O-N 3.06Å; R457-L461 VanDerWaalsContact O-N 3.07Å; R457-D499 WeakPolarHBondContact CD-OD2 3.15Å; R457-D499 IonicContact CZ-OD1 2.91Å; R457-D499 VanDerWaalsContact CZ-OD1 3.28Å; R457-D499 IonicContact CZ-OD2 2.69Å; R457-D499 IonicContact NE-OD1 3.4Å; R457-D499 PolarHBondContact NE-OD1 2.92Å; R457-D499 IonicContact NE-OD2 2.73Å; R457-D499 PolarHBondContact NE-OD2 2.69Å; R457-D499 IonicContact NH2-OD1 3.5Å; R457-D499 PolarHBondContact NH2-OD1 3.02Å
458	Y	84.8	Confident	83.3	Confident	145 Å²	145	39.7 Å²	39.7	57%	0.569	19%	0.192	S	C	*	.	H	α-helix	trans	-60.2	-46.5	177.3	177.8	-96.6	0	0	0	112.8	T456 L461 Q462	T456-Y458 VanDerWaalsContact C-N 3.28Å; T456-Y458 PolarHBondContact O-N 3.27Å; Y458-L461 PolarHBondContact O-N 3.03Å; Y458-Q462 HydrophobicContact CD1-CG 4.22Å; Y458-Q462 HydrophobicContact CD2-CG 4.42Å; Y458-Q462 HydrophobicContact CE1-CG 3.79Å; Y458-Q462 HydrophobicContact CE2-CG 4Å; Y458-Q462 WeakPolarHBondContact O-CG 3.5Å; Y458-Q462 PolarHBondContact O-N 3.17Å; Y458-Q462 PolarHBondContact OH-NE2 3.38Å
459	T	84.7	Confident	83.8	Confident	18 Å²	18	44.1 Å²	44.1	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-36.2	-179.6	53.4	0	0	0	0	112.3	I428 T456 Q462 L463	I428-T459 HydrophobicContact CD1-CG2 4.34Å; I428-T459 HydrophobicContact CG2-CG2 3.98Å; T456-T459 PolarHBondContact N-OG1 2.95Å; T456-T459 VanDerWaalsContact N-OG1 3.08Å; T456-T459 PolarHBondContact O-N 3.4Å; T456-T459 VanDerWaalsContact O-N 3.09Å; T456-T459 PolarHBondContact O-OG1 3.49Å; T456-T459 WeakPolarHBondContact OG1-CG2 3.25Å; T456-T459 PolarHBondContact OG1-N 2.94Å; T456-T459 PolarHBondContact OG1-OG1 3.47Å; T459-Q462 PolarHBondContact O-N 3.27Å; T459-L463 WeakPolarHBondContact O-CB 3.42Å; T459-L463 VanDerWaalsContact O-CG 3.25Å; T459-L463 WeakPolarHBondContact O-CG 3.46Å; T459-L463 PolarHBondContact O-N 3.35Å
460	R	89.3	Confident	84.2	Confident	30 Å²	30	44 Å²	44	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-49.8	170.7	-64.7	178.9	-167.7	-147.4	-3.9	111.1	L455 T456 R457 L463 L464 F491 L502	L455-R460 HydrophobicContact CB-CG 3.91Å; L455-R460 PolarHBondContact O-NE 3.31Å; L455-R460 PolarHBondContact O-NH2 3.23Å; T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 3.13Å; R457-R460 PolarHBondContact O-N 2.74Å; R460-L463 PolarHBondContact O-N 3.09Å; R460-L464 WeakPolarHBondContact O-CB 3.26Å; R460-L464 VanDerWaalsContact O-CG 3.26Å; R460-L464 WeakPolarHBondContact O-CG 3.41Å; R460-L464 PolarHBondContact O-N 2.73Å; R460-F491 HydrophobicContact CB-CD2 4.35Å; R460-F491 HydrophobicContact CB-CE2 3.92Å; R460-F491 HydrophobicContact CG-CD2 4.32Å; R460-F491 HydrophobicContact CG-CE2 3.76Å; R460-F491 HydrophobicContact CG-CZ 3.95Å; R460-L502 HydrophobicContact CB-CD1 4.14Å
461	L	90.7	Very high	84.4	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-46.5	177.6	-73	169.7	0	0	0	112.6	R457 Y458 L464 N465 E501 L502 Q505	R457-L461 HydrophobicContact CG-CD1 4.31Å; R457-L461 WeakPolarHBondContact O-CG 3.35Å; R457-L461 PolarHBondContact O-N 3.06Å; R457-L461 VanDerWaalsContact O-N 3.07Å; Y458-L461 PolarHBondContact O-N 3.03Å; L461-L464 PolarHBondContact O-N 3.08Å; L461-N465 WeakPolarHBondContact O-CB 3.29Å; L461-N465 VanDerWaalsContact O-CG 3.23Å; L461-N465 PolarHBondContact O-N 2.97Å; L461-N465 PolarHBondContact O-ND2 3.36Å; L461-E501 HydrophobicContact CD1-CG 4.38Å; L461-E501 HydrophobicContact CD2-CG 3.97Å; L461-L502 HydrophobicContact CD2-CB 4.17Å; L461-L502 HydrophobicContact CD2-CD1 3.96Å; L461-L502 HydrophobicContact CG-CD1 4.28Å; L461-Q505 HydrophobicContact CD2-CB 4.23Å; L461-Q505 HydrophobicContact CD2-CG 3.95Å
462	Q	90.3	Very high	85.1	Confident	45 Å²	45	54.2 Å²	54.2	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-37.7	-178.6	-68.5	-66.4	-6.2	0	0	112.9	L432 Y458 T459 N465 R466	L432-Q462 HydrophobicContact CD1-CB 4.24Å; L432-Q462 HydrophobicContact CD2-CB 3.57Å; Y458-Q462 HydrophobicContact CD1-CG 4.22Å; Y458-Q462 HydrophobicContact CD2-CG 4.42Å; Y458-Q462 HydrophobicContact CE1-CG 3.79Å; Y458-Q462 HydrophobicContact CE2-CG 4Å; Y458-Q462 WeakPolarHBondContact O-CG 3.5Å; Y458-Q462 PolarHBondContact O-N 3.17Å; Y458-Q462 PolarHBondContact OH-NE2 3.38Å; T459-Q462 PolarHBondContact O-N 3.27Å; Q462-N465 PolarHBondContact O-N 3.46Å; Q462-R466 WeakPolarHBondContact O-CG 3.38Å; Q462-R466 PolarHBondContact O-N 3.41Å
463	L	91.5	Very high	86	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-40.4	174.4	-68.6	172.3	0	0	0	111.8	L431 L432 L446 V449 L455 T459 R460 R466 L467	L431-L463 HydrophobicContact CB-CD2 3.85Å; L431-L463 HydrophobicContact CD1-CD2 3.96Å; L432-L463 HydrophobicContact CD2-CD2 4.09Å; L432-L463 HydrophobicContact CD2-CG 4.49Å; L446-L463 HydrophobicContact CD1-CB 4.15Å; L446-L463 HydrophobicContact CD1-CD1 4.45Å; L446-L463 HydrophobicContact CD1-CD2 3.95Å; L446-L463 HydrophobicContact CD1-CG 4.41Å; V449-L463 HydrophobicContact CG1-CD1 3.96Å; L455-L463 HydrophobicContact CD1-CD1 4.08Å; L455-L463 HydrophobicContact CD2-CD1 4.43Å; T459-L463 WeakPolarHBondContact O-CB 3.42Å; T459-L463 VanDerWaalsContact O-CG 3.25Å; T459-L463 WeakPolarHBondContact O-CG 3.46Å; T459-L463 PolarHBondContact O-N 3.35Å; R460-L463 PolarHBondContact O-N 3.09Å; L463-R466 PolarHBondContact O-N 3.29Å; L463-L467 PolarHBondContact O-N 3.4Å
464	L	93	Very high	87.3	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-45.1	171.3	-72	168	0	0	0	111.2	R460 L461 R466 L467 I468 L488 L502 Q505 I506 C509	R460-L464 WeakPolarHBondContact O-CB 3.26Å; R460-L464 VanDerWaalsContact O-CG 3.26Å; R460-L464 WeakPolarHBondContact O-CG 3.41Å; R460-L464 PolarHBondContact O-N 2.73Å; L461-L464 PolarHBondContact O-N 3.08Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 3.02Å; L464-L467 PolarHBondContact O-N 3.39Å; L464-L467 VanDerWaalsContact O-N 3.09Å; L464-I468 VanDerWaalsContact O-CG1 3.29Å; L464-I468 WeakPolarHBondContact O-CG1 3.44Å; L464-I468 PolarHBondContact O-N 2.88Å; L464-L488 HydrophobicContact CD2-CD2 3.48Å; L464-L488 VanDerWaalsContact CD2-CD2 3.48Å; L464-L502 HydrophobicContact CD1-CD1 3.73Å; L464-Q505 HydrophobicContact CB-CB 4.47Å; L464-Q505 HydrophobicContact CD1-CB 4.16Å; L464-I506 HydrophobicContact CD1-CG1 3.8Å; L464-I506 HydrophobicContact CD2-CG1 4.47Å; L464-C509 HydrophobicContact CD2-CB 4.07Å
465	N	91.9	Very high	88.6	Confident	45 Å²	45	48.2 Å²	48.2	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-36.9	177.8	-72.9	-20.3	0	0	0	112.8	L461 Q462 K469	L461-N465 WeakPolarHBondContact O-CB 3.29Å; L461-N465 VanDerWaalsContact O-CG 3.23Å; L461-N465 PolarHBondContact O-N 2.97Å; L461-N465 PolarHBondContact O-ND2 3.36Å; Q462-N465 PolarHBondContact O-N 3.46Å; N465-K469 WeakPolarHBondContact O-CB 3.5Å; N465-K469 WeakPolarHBondContact O-CG 3.3Å; N465-K469 PolarHBondContact O-N 2.95Å
466	R	91.8	Very high	89.4	Confident	41 Å²	41	48 Å²	48	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-69.8	-35.5	173.2	-64.9	-49.6	-167.9	-96.8	4.7	112.8	L432 L434 D435 F437 Q462 L463 L464 K469 T470	L432-R466 HydrophobicContact CD2-CG 4.41Å; L432-R466 PolarHBondContact O-NH2 3.32Å; L434-R466 WeakPolarHBondContact O-CD 3.37Å; L434-R466 PolarHBondContact O-NE 2.93Å; D435-R466 WeakPolarHBondContact O-CD 3.49Å; F437-R466 HydrophobicContact CE1-CB 4.31Å; F437-R466 HydrophobicContact CE2-CB 3.93Å; F437-R466 HydrophobicContact CZ-CB 3.61Å; Q462-R466 WeakPolarHBondContact O-CG 3.38Å; Q462-R466 PolarHBondContact O-N 3.41Å; L463-R466 PolarHBondContact O-N 3.29Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 3.02Å; R466-K469 PolarHBondContact O-N 3.43Å; R466-T470 PolarHBondContact O-N 2.89Å; R466-T470 PolarHBondContact O-OG1 2.88Å
467	L	91.8	Very high	89.7	Confident	2 Å²	2	47 Å²	47	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-37.1	175.5	-167.9	54.4	0	0	0	111.8	F437 L446 L463 L464 T470 L476 F479 C509	F437-L467 HydrophobicContact CD2-CD1 3.93Å; F437-L467 HydrophobicContact CE2-CB 3.97Å; F437-L467 HydrophobicContact CE2-CD1 4.07Å; L446-L467 HydrophobicContact CD2-CD1 4.28Å; L446-L467 HydrophobicContact CD2-CD2 4.36Å; L463-L467 PolarHBondContact O-N 3.4Å; L464-L467 PolarHBondContact O-N 3.39Å; L464-L467 VanDerWaalsContact O-N 3.09Å; L467-T470 WeakPolarHBondContact O-CB 3.35Å; L467-T470 PolarHBondContact O-N 3.23Å; L467-L476 HydrophobicContact CD1-CD2 3.8Å; L467-L476 HydrophobicContact CG-CD2 4.49Å; L467-F479 HydrophobicContact CD1-CD2 4.44Å; L467-F479 HydrophobicContact CD1-CG 4.31Å; L467-F479 HydrophobicContact CD2-CD1 3.92Å; L467-F479 HydrophobicContact CD2-CD2 3.99Å; L467-F479 HydrophobicContact CD2-CE1 3.67Å; L467-F479 HydrophobicContact CD2-CE2 3.73Å; L467-F479 HydrophobicContact CD2-CG 4.08Å; L467-F479 HydrophobicContact CD2-CZ 3.56Å; L467-C509 WeakPolarHBondContact CD2-SG 3.49Å
468	I	93.1	Very high	89.7	Confident	39 Å²	39	42.7 Å²	42.7	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-39.2	173.2	-66.9	161.5	0	0	0	111.4	L464 T470 Q505 V508 C509 H512	L464-I468 VanDerWaalsContact O-CG1 3.29Å; L464-I468 WeakPolarHBondContact O-CG1 3.44Å; L464-I468 PolarHBondContact O-N 2.88Å; I468-T470 PolarHBondContact O-N 3.2Å; I468-Q505 VanDerWaalsContact CD1-OE1 3.3Å; I468-V508 HydrophobicContact CD1-CB 4.17Å; I468-V508 HydrophobicContact CD1-CG1 3.84Å; I468-V508 HydrophobicContact CG1-CG1 4.17Å; I468-V508 HydrophobicContact CG2-CG1 4.07Å; I468-C509 HydrophobicContact CD1-CB 4.17Å; I468-C509 HydrophobicContact CG1-CB 3.89Å; I468-H512 PolarHBondContact O-CD2 3.29Å; I468-H512 PolarHBondContact O-NE2 3.48Å
469	K	91.8	Very high	89.9	Confident	125 Å²	125	35.8 Å²	35.8	54%	0.543	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.6	173.4	-77.4	-174.5	175.8	-167.1	0	114.6	N465 R466 E471	N465-K469 WeakPolarHBondContact O-CB 3.5Å; N465-K469 WeakPolarHBondContact O-CG 3.3Å; N465-K469 PolarHBondContact O-N 2.95Å; R466-K469 PolarHBondContact O-N 3.43Å; K469-E471 PolarHBondContact O-N 3.46Å
470	T	92	Very high	90	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.			trans	-84.2	105.8	-176.4	-65	0	0	0	0	111.2	F437 R466 L467 I468 N472 C475 L476 H512	F437-T470 HydrophobicContact CB-CG2 4.24Å; F437-T470 WeakPolarHBondContact CD2-OG1 3.27Å; F437-T470 PolarHBondContact N-OG1 3.09Å; F437-T470 WeakPolarHBondContact O-CG2 3.47Å; R466-T470 PolarHBondContact O-N 2.89Å; R466-T470 PolarHBondContact O-OG1 2.88Å; L467-T470 WeakPolarHBondContact O-CB 3.35Å; L467-T470 PolarHBondContact O-N 3.23Å; I468-T470 PolarHBondContact O-N 3.2Å; T470-N472 VanDerWaalsContact C-N 3.32Å; T470-N472 HydrophobicContact CG2-CB 4.18Å; T470-C475 HydrophobicContact CG2-CB 4.17Å; T470-L476 HydrophobicContact CG2-CD2 4.07Å; T470-L476 HydrophobicContact CG2-CG 4.32Å; T470-H512 PolarHBondContact O-NE2 3.37Å
471	E	88.5	Confident	89.5	Confident	182 Å²	182	35.5 Å²	35.5	85%	0.85	17%	0.17	S	C	*	.			trans	-79.5	-13.2	174.5	-61.3	-175.8	170	0	0	113.2	K469 D473	K469-E471 PolarHBondContact O-N 3.46Å; E471-D473 PolarHBondContact O-N 3.04Å
472	N	89	Confident	88.9	Confident	54 Å²	54	35.4 Å²	35.4	29%	0.289	17%	0.169	S	C	.	.			trans	-73	93.3	-180	-172	-15.8	0	0	0	111.1	R438 T470 A474 C475 L476 L730	R438-N472 PolarHBondContact O-ND2 2.97Å; R438-N472 VanDerWaalsContact O-ND2 3.13Å; T470-N472 VanDerWaalsContact C-N 3.32Å; T470-N472 HydrophobicContact CG2-CB 4.18Å; N472-A474 PolarHBondContact O-N 3.4Å; N472-A474 WeakPolarHBondContact OD1-CB 3.42Å; N472-A474 PolarHBondContact OD1-N 3.48Å; N472-C475 HydrophobicContact CB-CB 4.06Å; N472-C475 PolarHBondContact ND2-SG 3.38Å; N472-C475 VanDerWaalsContact ND2-SG 3.39Å; N472-C475 WeakPolarHBondContact O-CA 2.99Å; N472-C475 WeakPolarHBondContact O-CB 3.45Å; N472-C475 PolarHBondContact O-N 3.32Å; N472-C475 PolarHBondContact OD1-N 3.15Å; N472-L476 PolarHBondContact O-N 3.24Å; N472-L730 WeakPolarHBondContact ND2-CD2 3.25Å
473	D	88.6	Confident	88.3	Confident	77 Å²	77	34.8 Å²	34.8	41%	0.412	17%	0.167	S	C	.	.	H	α-helix	trans	-53.3	-25.4	178.3	-162.5	35.5	0	0	0	113.4	E471 K477 P514	E471-D473 PolarHBondContact O-N 3.04Å; D473-K477 VanDerWaalsContact CG-NZ 3.29Å; D473-K477 WeakPolarHBondContact O-CB 3.38Å; D473-K477 WeakPolarHBondContact O-CD 3.45Å; D473-K477 WeakPolarHBondContact O-CE 3.49Å; D473-K477 WeakPolarHBondContact O-CG 3.34Å; D473-K477 PolarHBondContact O-N 3.24Å; D473-K477 IonicContact OD1-NZ 3.57Å; D473-K477 VanDerWaalsContact OD2-CE 3.27Å; D473-K477 WeakPolarHBondContact OD2-CE 3.5Å; D473-K477 IonicContact OD2-NZ 3.29Å; D473-K477 PolarHBondContact OD2-NZ 2.8Å; D473-P514 WeakPolarHBondContact OD1-CG 3.42Å
474	A	86.7	Confident	88.1	Confident	13 Å²	13	34.7 Å²	34.7	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-78.5	-38.5	172.8	0	0	0	0	0	112.7	N472 K477 L478 T726 L730	N472-A474 PolarHBondContact O-N 3.4Å; N472-A474 WeakPolarHBondContact OD1-CB 3.42Å; N472-A474 PolarHBondContact OD1-N 3.48Å; A474-K477 PolarHBondContact O-N 3.16Å; A474-L478 PolarHBondContact O-N 3.25Å; A474-T726 HydrophobicContact CB-CG2 3.86Å; A474-T726 VanDerWaalsContact O-CG2 3.25Å; A474-T726 WeakPolarHBondContact O-CG2 3.28Å; A474-L730 HydrophobicContact CB-CD1 3.92Å; A474-L730 HydrophobicContact CB-CD2 3.91Å; A474-L730 HydrophobicContact CB-CG 3.81Å
475	C	89.5	Confident	87.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-39.4	173	-72.2	0	0	0	0	111.8	N439 I443 T470 N472 L478 F479	N439-C475 PolarHBondContact N-SG 3.22Å; N439-C475 PolarHBondContact O-SG 3.42Å; N439-C475 VanDerWaalsContact O-SG 3.35Å; I443-C475 HydrophobicContact CD1-CB 4.11Å; I443-C475 HydrophobicContact CG1-CB 3.92Å; T470-C475 HydrophobicContact CG2-CB 4.17Å; N472-C475 HydrophobicContact CB-CB 4.06Å; N472-C475 PolarHBondContact ND2-SG 3.38Å; N472-C475 VanDerWaalsContact ND2-SG 3.39Å; N472-C475 WeakPolarHBondContact O-CA 2.99Å; N472-C475 WeakPolarHBondContact O-CB 3.45Å; N472-C475 PolarHBondContact O-N 3.32Å; N472-C475 PolarHBondContact OD1-N 3.15Å; C475-L478 PolarHBondContact O-N 3.46Å; C475-F479 PolarHBondContact O-N 2.94Å
476	L	91.3	Very high	87.2	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-38.2	173.8	-59.4	179	0	0	0	112	L467 T470 N472 F479 R480 P514	L467-L476 HydrophobicContact CD1-CD2 3.8Å; L467-L476 HydrophobicContact CG-CD2 4.49Å; T470-L476 HydrophobicContact CG2-CD2 4.07Å; T470-L476 HydrophobicContact CG2-CG 4.32Å; N472-L476 PolarHBondContact O-N 3.24Å; L476-F479 PolarHBondContact O-N 2.98Å; L476-R480 PolarHBondContact O-N 3.43Å; L476-P514 VanDerWaalsContact CB-CD 3.46Å; L476-P514 HydrophobicContact CB-CG 4.07Å
477	K	87.8	Confident	86.8	Confident	52 Å²	52	32.7 Å²	32.7	23%	0.226	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-41.1	172.5	-74.3	163.5	-158	165.1	0	112	D473 A474 R480 Q481 P514 T726	D473-K477 VanDerWaalsContact CG-NZ 3.29Å; D473-K477 WeakPolarHBondContact O-CB 3.38Å; D473-K477 WeakPolarHBondContact O-CD 3.45Å; D473-K477 WeakPolarHBondContact O-CE 3.49Å; D473-K477 WeakPolarHBondContact O-CG 3.34Å; D473-K477 PolarHBondContact O-N 3.24Å; D473-K477 IonicContact OD1-NZ 3.57Å; D473-K477 VanDerWaalsContact OD2-CE 3.27Å; D473-K477 WeakPolarHBondContact OD2-CE 3.5Å; D473-K477 IonicContact OD2-NZ 3.29Å; D473-K477 PolarHBondContact OD2-NZ 2.8Å; A474-K477 PolarHBondContact O-N 3.16Å; K477-R480 PolarHBondContact O-N 2.98Å; K477-Q481 VanDerWaalsContact O-CB 3.25Å; K477-Q481 WeakPolarHBondContact O-CB 3.45Å; K477-Q481 VanDerWaalsContact O-CD 3.29Å; K477-Q481 WeakPolarHBondContact O-CG 3.27Å; K477-Q481 PolarHBondContact O-N 2.95Å; K477-P514 HydrophobicContact CG-CG 3.72Å; K477-T726 HydrophobicContact CB-CG2 4.02Å
478	L	85.2	Confident	86.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-46.6	172.3	-74.2	-168	0	0	0	111.4	A440 I443 A474 C475 R480 Q481 Y482 R723 T726 E727 L730	A440-L478 HydrophobicContact CB-CD1 3.41Å; A440-L478 VanDerWaalsContact CB-CD1 3.41Å; I443-L478 HydrophobicContact CG2-CB 4.26Å; A474-L478 PolarHBondContact O-N 3.25Å; C475-L478 PolarHBondContact O-N 3.46Å; L478-R480 VanDerWaalsContact C-N 3.35Å; L478-R480 PolarHBondContact O-N 3.41Å; L478-Q481 CarbonylContact O-C 3.5Å; L478-Q481 PolarHBondContact O-N 3.33Å; L478-Q481 VanDerWaalsContact O-N 3.17Å; L478-Y482 HydrophobicContact CB-CD2 4.21Å; L478-Y482 HydrophobicContact CB-CE2 4.06Å; L478-Y482 HydrophobicContact CD1-CE2 4.12Å; L478-Y482 HydrophobicContact CD2-CE2 4.26Å; L478-Y482 HydrophobicContact CG-CE2 4.38Å; L478-Y482 VanDerWaalsContact O-CB 3.24Å; L478-Y482 WeakPolarHBondContact O-CB 3.44Å; L478-Y482 VanDerWaalsContact O-CG 3.25Å; L478-Y482 PolarHBondContact O-N 3.35Å; L478-R723 HydrophobicContact CD2-CG 4.45Å; L478-T726 HydrophobicContact CD2-CG2 3.77Å; L478-T726 HydrophobicContact CG-CG2 3.87Å; L478-E727 HydrophobicContact CD2-CG 3.94Å; L478-L730 HydrophobicContact CD1-CD1 3.36Å; L478-L730 HydrophobicContact CG-CD1 3.83Å
479	F	88.7	Confident	86.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-47.6	177.6	179.8	-93.5	0	0	0	111.7	I443 L446 L447 M450 L467 C475 L476 Y482 G484 L488 I513	I443-F479 HydrophobicContact CD1-CB 4.46Å; I443-F479 HydrophobicContact CG2-CB 4.02Å; I443-F479 HydrophobicContact CG2-CD2 4.47Å; L446-F479 HydrophobicContact CD2-CD2 3.84Å; L446-F479 HydrophobicContact CD2-CE2 3.88Å; L447-F479 HydrophobicContact CD1-CD2 4.49Å; L447-F479 HydrophobicContact CD2-CD2 3.97Å; L447-F479 HydrophobicContact CD2-CE2 3.63Å; L447-F479 HydrophobicContact CD2-CZ 4.45Å; L447-F479 HydrophobicContact CG-CD2 4.23Å; L447-F479 HydrophobicContact CG-CE2 4.3Å; M450-F479 HydrophobicContact CE-CZ 4.34Å; M450-F479 HydrophobicContact SD-CE2 3.88Å; M450-F479 HydrophobicContact SD-CZ 4.26Å; L467-F479 HydrophobicContact CD1-CD2 4.44Å; L467-F479 HydrophobicContact CD1-CG 4.31Å; L467-F479 HydrophobicContact CD2-CD1 3.92Å; L467-F479 HydrophobicContact CD2-CD2 3.99Å; L467-F479 HydrophobicContact CD2-CE1 3.67Å; L467-F479 HydrophobicContact CD2-CE2 3.73Å; L467-F479 HydrophobicContact CD2-CG 4.08Å; L467-F479 HydrophobicContact CD2-CZ 3.56Å; C475-F479 PolarHBondContact O-N 2.94Å; L476-F479 PolarHBondContact O-N 2.98Å; F479-Y482 PolarHBondContact O-N 3.27Å; F479-G484 VanDerWaalsContact CE1-C 3.47Å; F479-G484 VanDerWaalsContact CZ-CA 3.49Å; F479-G484 WeakPolarHBondContact CZ-O 3.26Å; F479-G484 WeakPolarHBondContact O-CA 3.48Å; F479-G484 PolarHBondContact O-N 3.32Å; F479-L488 HydrophobicContact CE1-CD1 3.88Å; F479-L488 HydrophobicContact CE1-CG 4.22Å; F479-L488 HydrophobicContact CZ-CD1 4.32Å; F479-L488 HydrophobicContact CZ-CG 4.2Å; F479-I513 HydrophobicContact CD1-CD1 3.72Å; F479-I513 HydrophobicContact CD1-CG1 4.42Å; F479-I513 HydrophobicContact CE1-CD1 3.69Å
480	R	87.2	Confident	85.8	Confident	21 Å²	21	25.5 Å²	25.5	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-58.6	-48.2	174.4	-170.4	-162.4	77	-154.1	3.1	111.9	L476 K477 L478 Y482 L485 I513 P514 Q520 E722	L476-R480 PolarHBondContact O-N 3.43Å; K477-R480 PolarHBondContact O-N 2.98Å; L478-R480 VanDerWaalsContact C-N 3.35Å; L478-R480 PolarHBondContact O-N 3.41Å; R480-Y482 VanDerWaalsContact C-N 3.34Å; R480-L485 HydrophobicContact CG-CD1 3.97Å; R480-L485 HydrophobicContact CG-CG 4.24Å; R480-I513 HydrophobicContact CB-CG2 3.86Å; R480-I513 HydrophobicContact CG-CG2 4.09Å; R480-P514 VanDerWaalsContact CD-O 3.25Å; R480-P514 WeakPolarHBondContact CD-O 3.41Å; R480-P514 PolarHBondContact NH1-O 3.31Å; R480-Q520 VanDerWaalsContact CZ-OE1 3.26Å; R480-E722 IonicContact CZ-OE1 2.99Å; R480-E722 IonicContact NH1-OE1 2.64Å; R480-E722 IonicContact NH2-OE1 3.14Å; R480-E722 PolarHBondContact NH2-OE1 3.09Å; R480-E722 IonicContact NH2-OE2 3.37Å
481	Q	78.5	Confident	85.5	Confident	21 Å²	21	25.7 Å²	25.7	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-32.9	-178.8	-71.7	162.5	10.8	0	0	111.9	K477 L478 N483 R723 T726	K477-Q481 VanDerWaalsContact O-CB 3.25Å; K477-Q481 WeakPolarHBondContact O-CB 3.45Å; K477-Q481 VanDerWaalsContact O-CD 3.29Å; K477-Q481 WeakPolarHBondContact O-CG 3.27Å; K477-Q481 PolarHBondContact O-N 2.95Å; L478-Q481 CarbonylContact O-C 3.5Å; L478-Q481 PolarHBondContact O-N 3.33Å; L478-Q481 VanDerWaalsContact O-N 3.17Å; Q481-N483 PolarHBondContact O-N 3.06Å; Q481-R723 PolarHBondContact O-NH2 2.9Å; Q481-R723 VanDerWaalsContact OE1-CA 3.26Å; Q481-T726 PolarHBondContact NE2-OG1 3.39Å
482	Y	79.3	Confident	85.5	Confident	16 Å²	16	17 Å²	17	6%	0.063	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	33.4	-179.7	-67.2	-22.4	0	0	0	112.6	I236 I443 L447 L478 F479 R480 G484 R723 E727	I236-Y482 HydrophobicContact CB-CD1 3.89Å; I236-Y482 HydrophobicContact CB-CE1 4.36Å; I236-Y482 HydrophobicContact CB-CG 4.49Å; I236-Y482 HydrophobicContact CD1-CD1 3.62Å; I236-Y482 HydrophobicContact CD1-CD2 3.79Å; I236-Y482 HydrophobicContact CD1-CE1 4.21Å; I236-Y482 HydrophobicContact CD1-CE2 4.36Å; I236-Y482 HydrophobicContact CD1-CG 3.4Å; I236-Y482 VanDerWaalsContact CD1-CG 3.4Å; I236-Y482 HydrophobicContact CG1-CD1 3.75Å; I236-Y482 HydrophobicContact CG1-CG 3.86Å; I443-Y482 HydrophobicContact CG2-CD2 4.15Å; L447-Y482 VanDerWaalsContact CD1-CB 3.41Å; L447-Y482 HydrophobicContact CD1-CD2 4.2Å; L447-Y482 HydrophobicContact CD1-CG 4.33Å; L478-Y482 HydrophobicContact CB-CD2 4.21Å; L478-Y482 HydrophobicContact CB-CE2 4.06Å; L478-Y482 HydrophobicContact CD1-CE2 4.12Å; L478-Y482 HydrophobicContact CD2-CE2 4.26Å; L478-Y482 HydrophobicContact CG-CE2 4.38Å; L478-Y482 VanDerWaalsContact O-CB 3.24Å; L478-Y482 WeakPolarHBondContact O-CB 3.44Å; L478-Y482 VanDerWaalsContact O-CG 3.25Å; L478-Y482 PolarHBondContact O-N 3.35Å; F479-Y482 PolarHBondContact O-N 3.27Å; R480-Y482 VanDerWaalsContact C-N 3.34Å; Y482-G484 PolarHBondContact O-N 3.49Å; Y482-G484 VanDerWaalsContact O-N 3.15Å; Y482-R723 HydrophobicContact CE1-CG 4.44Å; Y482-E727 PolarHBondContact OH-OE1 3.03Å
483	N	78.3	Confident	85.1	Confident	32 Å²	32	15.1 Å²	15.1	17%	0.171	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	21.8	179.5	-58	-6.7	0	0	0	115	Q481 L485 D486	Q481-N483 PolarHBondContact O-N 3.06Å; N483-L485 PolarHBondContact O-N 3.35Å; N483-L485 VanDerWaalsContact O-N 3.14Å; N483-D486 WeakPolarHBondContact O-CB 3.46Å; N483-D486 PolarHBondContact O-N 3.09Å
484	G	85.3	Confident	84.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-24.8	177.7	0	0	0	0	0	113.9	F479 Y482 D486 M487 L488	F479-G484 VanDerWaalsContact CE1-C 3.47Å; F479-G484 VanDerWaalsContact CZ-CA 3.49Å; F479-G484 WeakPolarHBondContact CZ-O 3.26Å; F479-G484 WeakPolarHBondContact O-CA 3.48Å; F479-G484 PolarHBondContact O-N 3.32Å; Y482-G484 PolarHBondContact O-N 3.49Å; Y482-G484 VanDerWaalsContact O-N 3.15Å; G484-D486 VanDerWaalsContact C-N 3.31Å; G484-D486 PolarHBondContact O-N 3.07Å; G484-M487 PolarHBondContact O-N 2.86Å; G484-L488 WeakPolarHBondContact O-CG 3.25Å; G484-L488 PolarHBondContact O-N 3.06Å
485	L	87.3	Confident	84.6	Confident	8 Å²	8	13.3 Å²	13.3	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-32.7	171.7	-64.1	-173.7	0	0	0	113	R480 N483 L488 A489 L510 I513 Q520 L527	R480-L485 HydrophobicContact CG-CD1 3.97Å; R480-L485 HydrophobicContact CG-CG 4.24Å; N483-L485 PolarHBondContact O-N 3.35Å; N483-L485 VanDerWaalsContact O-N 3.14Å; L485-L488 HydrophobicContact CD2-CD1 4.44Å; L485-L488 PolarHBondContact O-N 3.08Å; L485-A489 WeakPolarHBondContact O-CB 3.35Å; L485-A489 PolarHBondContact O-N 3.32Å; L485-L510 HydrophobicContact CD2-CD2 3.69Å; L485-I513 HydrophobicContact CD2-CD1 4.07Å; L485-I513 HydrophobicContact CD2-CG2 4.34Å; L485-Q520 WeakPolarHBondContact CD1-O 3.27Å; L485-L527 HydrophobicContact CB-CD2 4.47Å; L485-L527 HydrophobicContact CD2-CD2 4.45Å
486	D	80.5	Confident	84.3	Confident	36 Å²	36	16 Å²	16	19%	0.193	9%	0.091	C	C	.	.	H	α-helix	trans	-72.4	-32.5	176	-64.8	-45.8	0	0	0	111.4	W212 N483 G484 A489 A490 S525	W212-D486 HydrophobicContact CZ2-CB 4.49Å; N483-D486 WeakPolarHBondContact O-CB 3.46Å; N483-D486 PolarHBondContact O-N 3.09Å; G484-D486 VanDerWaalsContact C-N 3.31Å; G484-D486 PolarHBondContact O-N 3.07Å; D486-A489 PolarHBondContact O-N 2.85Å; D486-A490 WeakPolarHBondContact O-CB 3.46Å; D486-A490 PolarHBondContact O-N 3.04Å; D486-S525 VanDerWaalsContact OD1-CA 3.28Å; D486-S525 WeakPolarHBondContact OD1-CA 3.44Å; D486-S525 WeakPolarHBondContact OD1-CB 3.49Å
487	M	81.9	Confident	84.1	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.02	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-38.3	171.1	-68.9	-69.8	85.8	0	0	112.1	L205 M209 W212 L447 M450 V451 G484 A490 F491	L205-M487 HydrophobicContact CD2-CE 3.97Å; M209-M487 HydrophobicContact CE-CE 3.42Å; M209-M487 VanDerWaalsContact CE-CE 3.42Å; M209-M487 HydrophobicContact CE-SD 3.77Å; M209-M487 HydrophobicContact CG-CE 4.26Å; W212-M487 HydrophobicContact CH2-CE 3.86Å; W212-M487 HydrophobicContact CH2-CG 3.93Å; W212-M487 HydrophobicContact CH2-SD 3.91Å; W212-M487 HydrophobicContact CZ2-CE 3.46Å; W212-M487 VanDerWaalsContact CZ2-CE 3.46Å; W212-M487 HydrophobicContact CZ2-CG 4.12Å; W212-M487 HydrophobicContact CZ2-SD 4.12Å; L447-M487 HydrophobicContact CD2-CG 4.38Å; M450-M487 HydrophobicContact CB-CG 4.5Å; M450-M487 HydrophobicContact CE-CB 4.05Å; V451-M487 HydrophobicContact CG2-SD 3.82Å; G484-M487 PolarHBondContact O-N 2.86Å; M487-A490 HydrophobicContact CE-CB 4.31Å; M487-A490 PolarHBondContact O-N 2.89Å; M487-F491 WeakPolarHBondContact O-CD1 3.34Å; M487-F491 PolarHBondContact O-N 3.18Å
488	L	89	Confident	84.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-43.3	171.6	-65.5	179.2	0	0	0	111.6	M450 L464 F479 G484 L485 A490 F491 M492 I506 L510 I513	M450-L488 HydrophobicContact CE-CD2 4.17Å; L464-L488 HydrophobicContact CD2-CD2 3.48Å; L464-L488 VanDerWaalsContact CD2-CD2 3.48Å; F479-L488 HydrophobicContact CE1-CD1 3.88Å; F479-L488 HydrophobicContact CE1-CG 4.22Å; F479-L488 HydrophobicContact CZ-CD1 4.32Å; F479-L488 HydrophobicContact CZ-CG 4.2Å; G484-L488 WeakPolarHBondContact O-CG 3.25Å; G484-L488 PolarHBondContact O-N 3.06Å; L485-L488 HydrophobicContact CD2-CD1 4.44Å; L485-L488 PolarHBondContact O-N 3.08Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.24Å; L488-F491 WeakPolarHBondContact O-CB 3.41Å; L488-F491 PolarHBondContact O-N 3.34Å; L488-F491 VanDerWaalsContact O-N 3.15Å; L488-M492 WeakPolarHBondContact O-CG 3.2Å; L488-M492 PolarHBondContact O-N 3.46Å; L488-I506 HydrophobicContact CB-CG2 4.33Å; L488-L510 HydrophobicContact CB-CD2 4.27Å; L488-L510 HydrophobicContact CD1-CD2 3.51Å; L488-L510 HydrophobicContact CD1-CG 4.11Å; L488-I513 HydrophobicContact CD1-CD1 3.72Å
489	A	85.5	Confident	84.2	Confident	8 Å²	8	24.3 Å²	24.3	7%	0.066	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-40.7	174.3	0	0	0	0	0	112.2	L485 D486 M492 C493 L527 I530	L485-A489 WeakPolarHBondContact O-CB 3.35Å; L485-A489 PolarHBondContact O-N 3.32Å; D486-A489 PolarHBondContact O-N 2.85Å; A489-M492 WeakPolarHBondContact O-CB 3.31Å; A489-M492 PolarHBondContact O-N 3.05Å; A489-C493 PolarHBondContact O-N 3.04Å; A489-L527 HydrophobicContact CB-CB 4.28Å; A489-L527 HydrophobicContact CB-CD1 3.75Å; A489-I530 HydrophobicContact CB-CD1 4.35Å
490	A	80.7	Confident	84.4	Confident	7 Å²	7	25 Å²	25	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-39.2	174.8	0	0	0	0	0	112.3	L205 D486 M487 L488 M492 C493 D494	L205-A490 HydrophobicContact CD2-CB 3.47Å; L205-A490 VanDerWaalsContact CD2-CB 3.47Å; L205-A490 HydrophobicContact CG-CB 4.46Å; D486-A490 WeakPolarHBondContact O-CB 3.46Å; D486-A490 PolarHBondContact O-N 3.04Å; M487-A490 HydrophobicContact CE-CB 4.31Å; M487-A490 PolarHBondContact O-N 2.89Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.24Å; A490-M492 VanDerWaalsContact C-N 3.29Å; A490-M492 PolarHBondContact O-N 3.4Å; A490-C493 PolarHBondContact O-N 3.38Å; A490-D494 WeakPolarHBondContact O-CB 3.18Å; A490-D494 PolarHBondContact O-N 2.97Å
491	F	86.2	Confident	84.7	Confident	3 Å²	3	26.4 Å²	26.4	1%	0.013	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-34.6	172.1	-79.3	20	0	0	0	112.2	M450 L455 R460 M487 L488 D494 A495 I506	M450-F491 HydrophobicContact CB-CZ 4.42Å; M450-F491 HydrophobicContact CE-CD2 4.29Å; M450-F491 HydrophobicContact CE-CE1 4.41Å; M450-F491 HydrophobicContact CE-CE2 3.69Å; M450-F491 HydrophobicContact CE-CZ 3.75Å; M450-F491 HydrophobicContact CG-CZ 4.23Å; L455-F491 HydrophobicContact CD1-CZ 3.95Å; R460-F491 HydrophobicContact CB-CD2 4.35Å; R460-F491 HydrophobicContact CB-CE2 3.92Å; R460-F491 HydrophobicContact CG-CD2 4.32Å; R460-F491 HydrophobicContact CG-CE2 3.76Å; R460-F491 HydrophobicContact CG-CZ 3.95Å; M487-F491 WeakPolarHBondContact O-CD1 3.34Å; M487-F491 PolarHBondContact O-N 3.18Å; L488-F491 WeakPolarHBondContact O-CB 3.41Å; L488-F491 PolarHBondContact O-N 3.34Å; L488-F491 VanDerWaalsContact O-N 3.15Å; F491-D494 PolarHBondContact O-N 2.82Å; F491-A495 WeakPolarHBondContact O-CB 3.23Å; F491-A495 PolarHBondContact O-N 3.07Å; F491-I506 HydrophobicContact CB-CD1 3.86Å
492	M	88.1	Confident	85.3	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-39.1	173.4	-60.6	172.8	83.2	0	0	112.3	L488 A489 A490 I506 L507 L510 L527 I530 V531 W534	L488-M492 WeakPolarHBondContact O-CG 3.2Å; L488-M492 PolarHBondContact O-N 3.46Å; A489-M492 WeakPolarHBondContact O-CB 3.31Å; A489-M492 PolarHBondContact O-N 3.05Å; A490-M492 VanDerWaalsContact C-N 3.29Å; A490-M492 PolarHBondContact O-N 3.4Å; M492-I506 HydrophobicContact CG-CB 4.47Å; M492-I506 HydrophobicContact CG-CD1 4.07Å; M492-I506 HydrophobicContact CG-CG2 3.63Å; M492-I506 HydrophobicContact SD-CG2 4.04Å; M492-L507 HydrophobicContact CE-CD2 4.11Å; M492-L510 HydrophobicContact SD-CD1 4.28Å; M492-L527 HydrophobicContact SD-CD1 3.51Å; M492-L527 VanDerWaalsContact SD-CD1 3.51Å; M492-I530 HydrophobicContact CB-CD1 4.4Å; M492-I530 HydrophobicContact CB-CG2 3.92Å; M492-I530 HydrophobicContact CE-CB 4.14Å; M492-I530 HydrophobicContact CE-CG2 3.66Å; M492-I530 HydrophobicContact SD-CB 4.45Å; M492-I530 HydrophobicContact SD-CG2 4.24Å; M492-V531 HydrophobicContact CE-CG2 3.76Å; M492-V531 HydrophobicContact SD-CG2 4.48Å; M492-W534 HydrophobicContact CB-CH2 3.63Å; M492-W534 HydrophobicContact CB-CZ2 3.72Å; M492-W534 HydrophobicContact CE-CD2 3.82Å; M492-W534 HydrophobicContact CE-CE3 3.44Å; M492-W534 VanDerWaalsContact CE-CE3 3.44Å; M492-W534 HydrophobicContact CE-CH2 3.58Å; M492-W534 HydrophobicContact CE-CZ2 3.96Å; M492-W534 HydrophobicContact CE-CZ3 3.32Å; M492-W534 HydrophobicContact CG-CH2 3.56Å; M492-W534 HydrophobicContact CG-CZ2 4.14Å; M492-W534 HydrophobicContact CG-CZ3 4.09Å; M492-W534 HydrophobicContact SD-CH2 4.44Å
493	C	82.5	Confident	86	Confident	14 Å²	14	24.9 Å²	24.9	10%	0.095	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-31.7	174.2	-74.9	0	0	0	0	113.5	A489 A490	A489-C493 PolarHBondContact O-N 3.04Å; A490-C493 PolarHBondContact O-N 3.38Å
494	D	78.7	Confident	86.7	Confident	45 Å²	45	25.3 Å²	25.3	24%	0.241	14%	0.139	C	C	.	.	H	α-helix	trans	-90.8	-14.5	-178.2	-77.1	18.9	0	0	0	113.4	A490 F491 R544	A490-D494 WeakPolarHBondContact O-CB 3.18Å; A490-D494 PolarHBondContact O-N 2.97Å; F491-D494 PolarHBondContact O-N 2.82Å; D494-R544 IonicContact OD1-CZ 3.64Å; D494-R544 IonicContact OD1-NH1 3.23Å; D494-R544 PolarHBondContact OD1-NH1 3.29Å; D494-R544 VanDerWaalsContact OD1-NH1 3.14Å; D494-R544 IonicContact OD1-NH2 3.28Å; D494-R544 PolarHBondContact OD1-NH2 3.5Å
495	A	84.3	Confident	87.2	Confident	6 Å²	6	26.8 Å²	26.8	5%	0.05	15%	0.146	C	C	.	.	S	Bend	trans	-63.3	142.7	177.8	0	0	0	0	0	111.6	F491 L502 K503 C541	F491-A495 WeakPolarHBondContact O-CB 3.23Å; F491-A495 PolarHBondContact O-N 3.07Å; A495-L502 HydrophobicContact CB-CD2 4.05Å; A495-K503 HydrophobicContact CB-CG 4.34Å; A495-C541 PolarHBondContact O-SG 3.49Å
496	A	84.7	Confident	87.5	Confident	57 Å²	57	26.4 Å²	26.4	47%	0.471	14%	0.144	S	C	.	.			trans	-68.8	150.2	175.2	0	0	0	0	0	111.2	K498 D499 K503	A496-K498 PolarHBondContact O-N 2.91Å; A496-D499 HydrophobicContact CB-CB 4.19Å; A496-D499 PolarHBondContact O-N 3.43Å; A496-K503 VanDerWaalsContact O-CE 3.27Å; A496-K503 WeakPolarHBondContact O-CE 3.25Å; A496-K503 PolarHBondContact O-NZ 2.85Å
497	P	86.2	Confident	88.2	Confident	72 Å²	72	24.7 Å²	24.7	47%	0.468	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.1	-176.2	-31.5	37.1	0	0	0	115.5	W500 K503	P497-W500 WeakPolarHBondContact O-CH2 3.49Å; P497-W500 WeakPolarHBondContact O-CZ3 3.34Å; P497-K503 PolarHBondContact O-NZ 2.81Å
498	K	87.1	Confident	88.8	Confident	142 Å²	142	26.3 Å²	26.3	62%	0.617	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	14.4	179.9	-59.3	-173.1	177.1	-173.9	0	114.7	A496 W500	A496-K498 PolarHBondContact O-N 2.91Å; K498-W500 HydrophobicContact CB-CZ2 4.34Å; K498-W500 HydrophobicContact CG-CZ2 4.26Å; K498-W500 PolarHBondContact O-N 2.94Å
499	D	88.9	Confident	89	Confident	18 Å²	18	26.4 Å²	26.4	10%	0.096	15%	0.146	C	C	.	.			trans	-80.6	69.2	177.5	-167.6	-5.6	0	0	0	111.4	R457 A496 E501 L502 K503	R457-D499 WeakPolarHBondContact CD-OD2 3.15Å; R457-D499 IonicContact CZ-OD1 2.91Å; R457-D499 VanDerWaalsContact CZ-OD1 3.28Å; R457-D499 IonicContact CZ-OD2 2.69Å; R457-D499 IonicContact NE-OD1 3.4Å; R457-D499 PolarHBondContact NE-OD1 2.92Å; R457-D499 IonicContact NE-OD2 2.73Å; R457-D499 PolarHBondContact NE-OD2 2.69Å; R457-D499 IonicContact NH2-OD1 3.5Å; R457-D499 PolarHBondContact NH2-OD1 3.02Å; A496-D499 HydrophobicContact CB-CB 4.19Å; A496-D499 PolarHBondContact O-N 3.43Å; D499-E501 VanDerWaalsContact C-N 3.34Å; D499-E501 PolarHBondContact O-N 2.7Å; D499-L502 HydrophobicContact CB-CB 4.29Å; D499-L502 PolarHBondContact O-N 3.46Å; D499-L502 WeakPolarHBondContact OD1-CB 3.45Å; D499-L502 PolarHBondContact OD1-N 2.9Å; D499-L502 VanDerWaalsContact OD2-CB 3.32Å; D499-L502 WeakPolarHBondContact OD2-CB 3.42Å; D499-L502 WeakPolarHBondContact OD2-CD2 3.48Å; D499-K503 VanDerWaalsContact O-CG 3.29Å; D499-K503 WeakPolarHBondContact O-CG 3.29Å; D499-K503 PolarHBondContact O-N 2.99Å
500	W	92.8	Very high	89.3	Confident	14 Å²	14	26 Å²	26	5%	0.053	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-40.1	-170.9	-55.8	135.9	0	0	0	113.8	P497 K498 K503 K504 P538 H539 N690 W693 I694 I697	P497-W500 WeakPolarHBondContact O-CH2 3.49Å; P497-W500 WeakPolarHBondContact O-CZ3 3.34Å; K498-W500 HydrophobicContact CB-CZ2 4.34Å; K498-W500 HydrophobicContact CG-CZ2 4.26Å; K498-W500 PolarHBondContact O-N 2.94Å; W500-K503 HydrophobicContact CE3-CD 4.09Å; W500-K503 HydrophobicContact CZ3-CD 4.25Å; W500-K503 PolarHBondContact O-N 3.04Å; W500-K504 WeakPolarHBondContact O-CB 3.42Å; W500-K504 PolarHBondContact O-N 3.06Å; W500-P538 HydrophobicContact CE3-CB 4.48Å; W500-P538 HydrophobicContact CH2-CB 4.29Å; W500-P538 HydrophobicContact CZ3-CB 3.66Å; W500-H539 AromaticContact CH2-CD2 3.49Å; W500-H539 VanDerWaalsContact CH2-CD2 3.49Å; W500-H539 WeakPolarHBondContact CH2-CD2 3.24Å; W500-H539 AromaticContact CH2-CE1 3.84Å; W500-H539 AromaticContact CH2-CG 3.84Å; W500-H539 AromaticContact CH2-NE2 3.51Å; W500-H539 AromaticContact CZ2-CD2 3.93Å; W500-H539 AromaticContact CZ2-NE2 3.62Å; W500-N690 PolarHBondContact NE1-OD1 3.05Å; W500-W693 HydrophobicContact CB-CB 3.71Å; W500-W693 HydrophobicContact CB-CD2 3.66Å; W500-W693 HydrophobicContact CB-CE3 3.65Å; W500-W693 HydrophobicContact CB-CG 3.66Å; W500-W693 HydrophobicContact CB-CZ3 4.49Å; W500-W693 AromaticContact CD1-CD1 3.99Å; W500-W693 AromaticContact CD1-CG 3.83Å; W500-W693 HydrophobicContact CD2-CB 4.29Å; W500-W693 HydrophobicContact CG-CB 3.63Å; W500-W693 HydrophobicContact CG-CD2 4.43Å; W500-W693 AromaticContact CG-CG 3.93Å; W500-W693 HydrophobicContact CG-CG 3.93Å; W500-I694 HydrophobicContact CH2-CD1 4.08Å; W500-I694 HydrophobicContact CH2-CG1 3.75Å; W500-I694 HydrophobicContact CZ2-CD1 3.89Å; W500-I694 HydrophobicContact CZ2-CG1 3.81Å; W500-I694 HydrophobicContact CZ3-CG1 4.23Å; W500-I697 HydrophobicContact CB-CD1 4.05Å; W500-I697 HydrophobicContact CD2-CD1 4.31Å; W500-I697 HydrophobicContact CE3-CD1 3.61Å; W500-I697 HydrophobicContact CZ3-CD1 4.43Å
501	E	93	Very high	89.9	Confident	51 Å²	51	29.5 Å²	29.5	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-45.5	178.6	173.4	56.7	-168.5	0	0	111.3	L461 D499 K503 K504 Q505 W693	L461-E501 HydrophobicContact CD1-CG 4.38Å; L461-E501 HydrophobicContact CD2-CG 3.97Å; D499-E501 VanDerWaalsContact C-N 3.34Å; D499-E501 PolarHBondContact O-N 2.7Å; E501-K503 VanDerWaalsContact C-N 3.35Å; E501-K503 PolarHBondContact O-N 3.09Å; E501-K504 PolarHBondContact O-N 3.25Å; E501-Q505 WeakPolarHBondContact O-CG 3.38Å; E501-Q505 PolarHBondContact O-N 3.21Å; E501-Q505 VanDerWaalsContact OE1-CG 3.24Å; E501-Q505 WeakPolarHBondContact OE1-CG 3.47Å; E501-Q505 PolarHBondContact OE1-NE2 3.18Å; E501-W693 HydrophobicContact CB-CH2 4.22Å; E501-W693 HydrophobicContact CB-CZ3 4.37Å; E501-W693 VanDerWaalsContact OE2-CH2 3.22Å; E501-W693 WeakPolarHBondContact OE2-CH2 3.44Å; E501-W693 WeakPolarHBondContact OE2-CZ3 3.45Å
502	L	91.5	Very high	90.1	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-42.9	175.8	-178.3	61.4	0	0	0	111.7	R460 L461 L464 A495 D499 K504 Q505 I506	R460-L502 HydrophobicContact CB-CD1 4.14Å; L461-L502 HydrophobicContact CD2-CB 4.17Å; L461-L502 HydrophobicContact CD2-CD1 3.96Å; L461-L502 HydrophobicContact CG-CD1 4.28Å; L464-L502 HydrophobicContact CD1-CD1 3.73Å; A495-L502 HydrophobicContact CB-CD2 4.05Å; D499-L502 HydrophobicContact CB-CB 4.29Å; D499-L502 PolarHBondContact O-N 3.46Å; D499-L502 WeakPolarHBondContact OD1-CB 3.45Å; D499-L502 PolarHBondContact OD1-N 2.9Å; D499-L502 VanDerWaalsContact OD2-CB 3.32Å; D499-L502 WeakPolarHBondContact OD2-CB 3.42Å; D499-L502 WeakPolarHBondContact OD2-CD2 3.48Å; L502-K504 PolarHBondContact O-N 3.28Å; L502-Q505 PolarHBondContact O-N 3.14Å; L502-I506 HydrophobicContact CD1-CD1 4.25Å; L502-I506 HydrophobicContact CD1-CG1 4.44Å; L502-I506 HydrophobicContact CG-CD1 4.06Å; L502-I506 WeakPolarHBondContact O-CD1 3.16Å; L502-I506 VanDerWaalsContact O-CG1 3.26Å; L502-I506 WeakPolarHBondContact O-CG1 3.08Å; L502-I506 PolarHBondContact O-N 3.13Å
503	K	93.5	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-45.6	177	-69.2	-178.7	174.1	-175.6	0	111.6	A495 A496 P497 D499 W500 E501 I506 L507 W534 P538 C541 I697	A495-K503 HydrophobicContact CB-CG 4.34Å; A496-K503 VanDerWaalsContact O-CE 3.27Å; A496-K503 WeakPolarHBondContact O-CE 3.25Å; A496-K503 PolarHBondContact O-NZ 2.85Å; P497-K503 PolarHBondContact O-NZ 2.81Å; D499-K503 VanDerWaalsContact O-CG 3.29Å; D499-K503 WeakPolarHBondContact O-CG 3.29Å; D499-K503 PolarHBondContact O-N 2.99Å; W500-K503 HydrophobicContact CE3-CD 4.09Å; W500-K503 HydrophobicContact CZ3-CD 4.25Å; W500-K503 PolarHBondContact O-N 3.04Å; E501-K503 VanDerWaalsContact C-N 3.35Å; E501-K503 PolarHBondContact O-N 3.09Å; K503-I506 PolarHBondContact O-N 3.36Å; K503-L507 WeakPolarHBondContact O-CG 3.25Å; K503-L507 PolarHBondContact O-N 3.35Å; K503-W534 HydrophobicContact CB-CE3 4.33Å; K503-W534 HydrophobicContact CB-CH2 3.86Å; K503-W534 HydrophobicContact CB-CZ3 3.65Å; K503-W534 HydrophobicContact CD-CH2 4.11Å; K503-W534 HydrophobicContact CD-CZ2 4.1Å; K503-W534 HydrophobicContact CD-CZ3 4.45Å; K503-W534 HydrophobicContact CG-CH2 3.51Å; K503-W534 HydrophobicContact CG-CZ2 3.96Å; K503-W534 HydrophobicContact CG-CZ3 3.85Å; K503-P538 PolarHBondContact NZ-O 3.45Å; K503-C541 WeakPolarHBondContact CE-SG 3.49Å; K503-C541 PolarHBondContact NZ-SG 3.44Å; K503-I697 HydrophobicContact CB-CD1 3.93Å
504	K	94	Very high	90.5	Very high	41 Å²	41	33.8 Å²	33.8	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-49.7	175.8	-177	-179.2	177.3	175.9	0	111.8	W500 E501 L502 I506 L507 V508 W693 E696 I697 L700	W500-K504 WeakPolarHBondContact O-CB 3.42Å; W500-K504 PolarHBondContact O-N 3.06Å; E501-K504 PolarHBondContact O-N 3.25Å; L502-K504 PolarHBondContact O-N 3.28Å; K504-I506 VanDerWaalsContact C-N 3.27Å; K504-I506 PolarHBondContact O-N 3.12Å; K504-L507 PolarHBondContact O-N 3.49Å; K504-V508 HydrophobicContact CG-CG2 4.21Å; K504-V508 WeakPolarHBondContact O-CG2 3.45Å; K504-V508 PolarHBondContact O-N 2.86Å; K504-W693 HydrophobicContact CB-CZ3 4.13Å; K504-W693 HydrophobicContact CD-CE3 4.27Å; K504-W693 HydrophobicContact CD-CH2 4.43Å; K504-W693 HydrophobicContact CD-CZ3 3.57Å; K504-W693 HydrophobicContact CG-CZ3 4.5Å; K504-E696 WeakPolarHBondContact CE-OE2 3.12Å; K504-E696 IonicContact NZ-OE2 2.67Å; K504-E696 PolarHBondContact NZ-OE2 3.47Å; K504-I697 HydrophobicContact CB-CG1 4.35Å; K504-L700 HydrophobicContact CG-CD1 3.95Å
505	Q	94.4	Very high	90.8	Very high	31 Å²	31	32.4 Å²	32.4	15%	0.145	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-33	-178.3	-65.7	-62.2	-1.6	0	0	112.5	L461 L464 I468 E501 L502 C509	L461-Q505 HydrophobicContact CD2-CB 4.23Å; L461-Q505 HydrophobicContact CD2-CG 3.95Å; L464-Q505 HydrophobicContact CB-CB 4.47Å; L464-Q505 HydrophobicContact CD1-CB 4.16Å; I468-Q505 VanDerWaalsContact CD1-OE1 3.3Å; E501-Q505 WeakPolarHBondContact O-CG 3.38Å; E501-Q505 PolarHBondContact O-N 3.21Å; E501-Q505 VanDerWaalsContact OE1-CG 3.24Å; E501-Q505 WeakPolarHBondContact OE1-CG 3.47Å; E501-Q505 PolarHBondContact OE1-NE2 3.18Å; L502-Q505 PolarHBondContact O-N 3.14Å; Q505-C509 VanDerWaalsContact O-CB 3.28Å; Q505-C509 WeakPolarHBondContact O-CB 3.42Å; Q505-C509 PolarHBondContact O-N 2.82Å
506	I	93.7	Very high	90.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-48.3	170.6	-64	161.1	0	0	0	110.7	L464 L488 F491 M492 L502 K503 K504 V508 C509 L510	L464-I506 HydrophobicContact CD1-CG1 3.8Å; L464-I506 HydrophobicContact CD2-CG1 4.47Å; L488-I506 HydrophobicContact CB-CG2 4.33Å; F491-I506 HydrophobicContact CB-CD1 3.86Å; M492-I506 HydrophobicContact CG-CB 4.47Å; M492-I506 HydrophobicContact CG-CD1 4.07Å; M492-I506 HydrophobicContact CG-CG2 3.63Å; M492-I506 HydrophobicContact SD-CG2 4.04Å; L502-I506 HydrophobicContact CD1-CD1 4.25Å; L502-I506 HydrophobicContact CD1-CG1 4.44Å; L502-I506 HydrophobicContact CG-CD1 4.06Å; L502-I506 WeakPolarHBondContact O-CD1 3.16Å; L502-I506 VanDerWaalsContact O-CG1 3.26Å; L502-I506 WeakPolarHBondContact O-CG1 3.08Å; L502-I506 PolarHBondContact O-N 3.13Å; K503-I506 PolarHBondContact O-N 3.36Å; K504-I506 VanDerWaalsContact C-N 3.27Å; K504-I506 PolarHBondContact O-N 3.12Å; I506-V508 PolarHBondContact O-N 3.28Å; I506-C509 WeakPolarHBondContact O-CB 3.42Å; I506-C509 PolarHBondContact O-N 2.92Å; I506-L510 HydrophobicContact CG2-CD1 3.93Å; I506-L510 HydrophobicContact CG2-CG 4.36Å; I506-L510 VanDerWaalsContact O-CG 3.26Å; I506-L510 WeakPolarHBondContact O-CG 3.44Å; I506-L510 PolarHBondContact O-N 3.04Å
507	L	94.7	Very high	90.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-39.1	178	-63.2	-178.2	0	0	0	112.8	M492 K503 K504 L510 K511 V531 W534 I697 L700 A701 L704	M492-L507 HydrophobicContact CE-CD2 4.11Å; K503-L507 WeakPolarHBondContact O-CG 3.25Å; K503-L507 PolarHBondContact O-N 3.35Å; K504-L507 PolarHBondContact O-N 3.49Å; L507-L510 HydrophobicContact CD2-CD1 4.39Å; L507-L510 PolarHBondContact O-N 3.35Å; L507-K511 WeakPolarHBondContact O-CB 3.18Å; L507-K511 PolarHBondContact O-N 3.28Å; L507-V531 HydrophobicContact CD2-CG2 4.12Å; L507-W534 HydrophobicContact CD1-CE3 4.22Å; L507-W534 HydrophobicContact CD2-CE3 4.1Å; L507-W534 HydrophobicContact CD2-CZ3 4.33Å; L507-W534 HydrophobicContact CG-CE3 4.21Å; L507-W534 HydrophobicContact CG-CZ3 4.3Å; L507-I697 HydrophobicContact CD1-CG2 3.86Å; L507-I697 WeakPolarHBondContact CD1-O 3.22Å; L507-L700 HydrophobicContact CB-CB 4.13Å; L507-L700 HydrophobicContact CB-CD1 4.49Å; L507-L700 HydrophobicContact CD1-CB 3.88Å; L507-A701 HydrophobicContact CD1-CB 4.13Å; L507-L704 HydrophobicContact CB-CD1 4.09Å; L507-L704 HydrophobicContact CD2-CD1 3.8Å; L507-L704 HydrophobicContact CG-CD1 4.48Å
508	V	94.5	Very high	89.7	Confident	39 Å²	39	30 Å²	30	24%	0.236	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-43.4	174.9	174.1	0	0	0	0	110.8	I468 K504 I506 L510 K511 H512 L700	I468-V508 HydrophobicContact CD1-CB 4.17Å; I468-V508 HydrophobicContact CD1-CG1 3.84Å; I468-V508 HydrophobicContact CG1-CG1 4.17Å; I468-V508 HydrophobicContact CG2-CG1 4.07Å; K504-V508 HydrophobicContact CG-CG2 4.21Å; K504-V508 WeakPolarHBondContact O-CG2 3.45Å; K504-V508 PolarHBondContact O-N 2.86Å; I506-V508 PolarHBondContact O-N 3.28Å; V508-L510 PolarHBondContact O-N 3.28Å; V508-K511 WeakPolarHBondContact O-CB 3.33Å; V508-K511 PolarHBondContact O-N 3.04Å; V508-H512 PolarHBondContact O-N 3.27Å; V508-H512 VanDerWaalsContact O-N 3.14Å; V508-L700 HydrophobicContact CG2-CD1 4.16Å
509	C	93.4	Very high	89	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-44.3	174.5	-173.6	0	0	0	0	112.2	L464 L467 I468 Q505 I506 K511 H512 I513	L464-C509 HydrophobicContact CD2-CB 4.07Å; L467-C509 WeakPolarHBondContact CD2-SG 3.49Å; I468-C509 HydrophobicContact CD1-CB 4.17Å; I468-C509 HydrophobicContact CG1-CB 3.89Å; Q505-C509 VanDerWaalsContact O-CB 3.28Å; Q505-C509 WeakPolarHBondContact O-CB 3.42Å; Q505-C509 PolarHBondContact O-N 2.82Å; I506-C509 WeakPolarHBondContact O-CB 3.42Å; I506-C509 PolarHBondContact O-N 2.92Å; C509-K511 VanDerWaalsContact C-N 3.28Å; C509-K511 PolarHBondContact O-N 3.19Å; C509-H512 PolarHBondContact O-N 3.28Å; C509-I513 WeakPolarHBondContact O-CG1 3.41Å; C509-I513 PolarHBondContact O-N 3.15Å
510	L	92.9	Very high	88.3	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-30.1	175.8	-69.4	172.4	0	0	0	113.5	L485 L488 M492 I506 L507 V508 L527 V531 L704 W708	L485-L510 HydrophobicContact CD2-CD2 3.69Å; L488-L510 HydrophobicContact CB-CD2 4.27Å; L488-L510 HydrophobicContact CD1-CD2 3.51Å; L488-L510 HydrophobicContact CD1-CG 4.11Å; M492-L510 HydrophobicContact SD-CD1 4.28Å; I506-L510 HydrophobicContact CG2-CD1 3.93Å; I506-L510 HydrophobicContact CG2-CG 4.36Å; I506-L510 VanDerWaalsContact O-CG 3.26Å; I506-L510 WeakPolarHBondContact O-CG 3.44Å; I506-L510 PolarHBondContact O-N 3.04Å; L507-L510 HydrophobicContact CD2-CD1 4.39Å; L507-L510 PolarHBondContact O-N 3.35Å; V508-L510 PolarHBondContact O-N 3.28Å; L510-L527 HydrophobicContact CD1-CD1 3.89Å; L510-L527 HydrophobicContact CD1-CD2 4.17Å; L510-L527 HydrophobicContact CD1-CG 4.29Å; L510-L527 HydrophobicContact CD2-CD1 4.32Å; L510-L527 HydrophobicContact CD2-CD2 3.66Å; L510-V531 HydrophobicContact CD1-CG2 4.49Å; L510-L704 HydrophobicContact CB-CD1 4.13Å; L510-L704 HydrophobicContact CB-CD2 4.3Å; L510-W708 HydrophobicContact CB-CH2 4.33Å; L510-W708 HydrophobicContact CB-CZ2 4.33Å; L510-W708 HydrophobicContact CD1-CH2 4.39Å
511	K	92.2	Very high	87.2	Confident	79 Å²	79	27.7 Å²	27.7	34%	0.343	14%	0.137	S	C	.	.	H	α-helix	trans	-71.1	-35.1	175.2	-176	175.3	177.4	170.6	0	111.9	L507 V508 C509 L700 E703 L704 K707	L507-K511 WeakPolarHBondContact O-CB 3.18Å; L507-K511 PolarHBondContact O-N 3.28Å; V508-K511 WeakPolarHBondContact O-CB 3.33Å; V508-K511 PolarHBondContact O-N 3.04Å; C509-K511 VanDerWaalsContact C-N 3.28Å; C509-K511 PolarHBondContact O-N 3.19Å; K511-L700 HydrophobicContact CD-CD2 4.36Å; K511-E703 WeakPolarHBondContact CE-OE1 3.41Å; K511-E703 WeakPolarHBondContact CE-OE2 3.41Å; K511-E703 IonicContact NZ-OE1 3.64Å; K511-E703 PolarHBondContact NZ-OE1 2.78Å; K511-E703 IonicContact NZ-OE2 3.63Å; K511-E703 PolarHBondContact NZ-OE2 3.22Å; K511-L704 HydrophobicContact CB-CD2 4.04Å; K511-K707 PolarHBondContact O-NZ 2.89Å
512	H	91.1	Very high	85.7	Confident	77 Å²	77	30.1 Å²	30.1	36%	0.356	15%	0.148	S	C	.	.	H	α-helix	trans	-77.9	-37.9	-178.9	-165.8	59.6	0	0	0	113.4	I468 T470 V508 C509	I468-H512 PolarHBondContact O-CD2 3.29Å; I468-H512 PolarHBondContact O-NE2 3.48Å; T470-H512 PolarHBondContact O-NE2 3.37Å; V508-H512 PolarHBondContact O-N 3.27Å; V508-H512 VanDerWaalsContact O-N 3.14Å; C509-H512 PolarHBondContact O-N 3.28Å
513	I	91.6	Very high	84	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.174	C	C	.	.	S	Bend	trans	-61	127	178.3	-67.9	161.8	0	0	0	110.4	F479 R480 L485 L488 C509 V515	F479-I513 HydrophobicContact CD1-CD1 3.72Å; F479-I513 HydrophobicContact CD1-CG1 4.42Å; F479-I513 HydrophobicContact CE1-CD1 3.69Å; R480-I513 HydrophobicContact CB-CG2 3.86Å; R480-I513 HydrophobicContact CG-CG2 4.09Å; L485-I513 HydrophobicContact CD2-CD1 4.07Å; L485-I513 HydrophobicContact CD2-CG2 4.34Å; L488-I513 HydrophobicContact CD1-CD1 3.72Å; C509-I513 WeakPolarHBondContact O-CG1 3.41Å; C509-I513 PolarHBondContact O-N 3.15Å; I513-V515 PolarHBondContact O-N 3.35Å
514	P	88	Confident	82.2	Confident	30 Å²	30	40.3 Å²	40.3	20%	0.195	21%	0.209	C	C	.	.			trans	-76.3	117	-176.5	30.7	-35.7	0	0	0	111.1	D473 L476 K477 R480	D473-P514 WeakPolarHBondContact OD1-CG 3.42Å; L476-P514 VanDerWaalsContact CB-CD 3.46Å; L476-P514 HydrophobicContact CB-CG 4.07Å; K477-P514 HydrophobicContact CG-CG 3.72Å; R480-P514 VanDerWaalsContact CD-O 3.25Å; R480-P514 WeakPolarHBondContact CD-O 3.41Å; R480-P514 PolarHBondContact NH1-O 3.31Å
515	V	84.9	Confident	80.6	Confident	16 Å²	16	39.1 Å²	39.1	10%	0.097	21%	0.206	C	C	.	.			trans	-116.9	125.2	176.5	-173.8	0	0	0	0	108.7	I513 Q520 V521 L711	I513-V515 PolarHBondContact O-N 3.35Å; V515-Q520 HydrophobicContact CG1-CB 4.01Å; V515-V521 HydrophobicContact CG1-CG2 3.62Å; V515-V521 HydrophobicContact CG2-CG2 4.49Å; V515-L711 HydrophobicContact CB-CD1 4.08Å; V515-L711 HydrophobicContact CG1-CD1 3.55Å
516	S	80.1	Confident	79.5	Confident	40 Å²	40	41.6 Å²	41.6	28%	0.28	21%	0.214	S	C	.	.			trans	-106.5	-21.8	-176.7	60.4	0	0	0	0	115	Q520 P712 R717	S516-Q520 PolarHBondContact OG-NE2 3.09Å; S516-Q520 PolarHBondContact OG-OE1 2.94Å; S516-P712 WeakPolarHBondContact O-CD 3.25Å; S516-P712 WeakPolarHBondContact O-CG 3.35Å; S516-R717 PolarHBondContact OG-NH1 3Å
517	E	75.5	Confident	79	Confident	27 Å²	27	41.6 Å²	41.6	13%	0.126	21%	0.214	C	C	.	.	S	Bend	trans	-137.7	141.7	-176.1	-66.4	125.1	-129	0	0	109.7	K519 Q520 R717	E517-K519 PolarHBondContact O-N 3.45Å; E517-K519 VanDerWaalsContact O-N 3.13Å; E517-Q520 HydrophobicContact CB-CG 4.2Å; E517-Q520 WeakPolarHBondContact O-CB 3.38Å; E517-Q520 PolarHBondContact O-N 3.31Å; E517-Q520 PolarHBondContact OE1-NE2 3.33Å; E517-Q520 PolarHBondContact OE2-NE2 3.35Å; E517-Q520 VanDerWaalsContact OE2-NE2 3.07Å; E517-R717 WeakPolarHBondContact OE1-CD 3.5Å; E517-R717 IonicContact OE1-NH1 3.56Å; E517-R717 PolarHBondContact OE1-NH1 2.88Å
518	Q	75.9	Confident	78.5	Confident	17 Å²	17	43.5 Å²	43.5	8%	0.079	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.4	-177.1	-156.6	-178	21.9	0	0	112.3	Q520 V521 Q522 L711 P712	Q518-Q520 PolarHBondContact O-N 3.09Å; Q518-V521 PolarHBondContact O-N 3.41Å; Q518-V521 VanDerWaalsContact O-N 3.09Å; Q518-Q522 HydrophobicContact CG-CG 4.36Å; Q518-Q522 WeakPolarHBondContact O-CG 3.38Å; Q518-Q522 PolarHBondContact O-N 3.18Å; Q518-Q522 PolarHBondContact O-OE1 2.99Å; Q518-L711 HydrophobicContact CB-CB 4.45Å; Q518-P712 PolarHBondContact N-O 3.38Å
519	K	73.3	Confident	77.9	Confident	98 Å²	98	45.9 Å²	45.9	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-57.1	-29.5	175.4	-170	168.4	-172.3	168.2	0	114.1	E517 V521 Q522 S523 E714	E517-K519 PolarHBondContact O-N 3.45Å; E517-K519 VanDerWaalsContact O-N 3.13Å; K519-V521 PolarHBondContact O-N 3.45Å; K519-Q522 PolarHBondContact O-N 3.12Å; K519-S523 WeakPolarHBondContact O-CA 3.5Å; K519-S523 WeakPolarHBondContact O-CB 3.5Å; K519-S523 PolarHBondContact O-N 3.48Å; K519-S523 PolarHBondContact O-OG 3.06Å; K519-E714 WeakPolarHBondContact CD-OE1 3.29Å; K519-E714 VanDerWaalsContact CD-OE2 3.3Å; K519-E714 WeakPolarHBondContact CD-OE2 3.26Å; K519-E714 IonicContact NZ-OE1 2.68Å; K519-E714 PolarHBondContact NZ-OE1 3.43Å; K519-E714 IonicContact NZ-OE2 3.45Å; K519-E714 PolarHBondContact NZ-OE2 3.2Å
520	Q	72.6	Confident	77.6	Confident	28 Å²	28	46 Å²	46	13%	0.131	23%	0.233	C	C	.	.	H	α-helix	trans	-69.9	-14.1	179.5	-64.7	170.2	0.9	0	0	113.1	R480 L485 V515 S516 E517 Q518	R480-Q520 VanDerWaalsContact CZ-OE1 3.26Å; L485-Q520 WeakPolarHBondContact CD1-O 3.27Å; V515-Q520 HydrophobicContact CG1-CB 4.01Å; S516-Q520 PolarHBondContact OG-NE2 3.09Å; S516-Q520 PolarHBondContact OG-OE1 2.94Å; E517-Q520 HydrophobicContact CB-CG 4.2Å; E517-Q520 WeakPolarHBondContact O-CB 3.38Å; E517-Q520 PolarHBondContact O-N 3.31Å; E517-Q520 PolarHBondContact OE1-NE2 3.33Å; E517-Q520 PolarHBondContact OE2-NE2 3.35Å; E517-Q520 VanDerWaalsContact OE2-NE2 3.07Å; Q518-Q520 PolarHBondContact O-N 3.09Å
521	V	71.5	Confident	77.5	Confident	1 Å²	1	46 Å²	46	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-102.4	-34.5	171.1	-157	0	0	0	0	110.9	V515 Q518 K519 S525 L527 M528 W708	V515-V521 HydrophobicContact CG1-CG2 3.62Å; V515-V521 HydrophobicContact CG2-CG2 4.49Å; Q518-V521 PolarHBondContact O-N 3.41Å; Q518-V521 VanDerWaalsContact O-N 3.09Å; K519-V521 PolarHBondContact O-N 3.45Å; V521-S525 PolarHBondContact O-OG 3.16Å; V521-L527 HydrophobicContact CG1-CB 4.37Å; V521-L527 HydrophobicContact CG1-CD2 3.86Å; V521-M528 HydrophobicContact CB-CG 4.29Å; V521-M528 HydrophobicContact CB-SD 4.16Å; V521-M528 HydrophobicContact CG1-CG 3.86Å; V521-M528 HydrophobicContact CG1-SD 3.77Å; V521-W708 HydrophobicContact CG1-CD2 4.45Å; V521-W708 HydrophobicContact CG1-CE3 4.26Å; V521-W708 HydrophobicContact CG1-CH2 4.21Å; V521-W708 HydrophobicContact CG1-CZ2 4.41Å; V521-W708 HydrophobicContact CG1-CZ3 4.13Å; V521-W708 HydrophobicContact CG2-CD2 4.14Å; V521-W708 HydrophobicContact CG2-CG 4.23Å
522	Q	60.6	Low	77.3	Confident	102 Å²	102	44.3 Å²	44.3	48%	0.477	23%	0.233	S	C	.	.	H	α-helix	trans	-83.4	-11.1	-176	-65.9	169.4	-40.1	0	0	115.1	Q518 K519 N524 M528	Q518-Q522 HydrophobicContact CG-CG 4.36Å; Q518-Q522 WeakPolarHBondContact O-CG 3.38Å; Q518-Q522 PolarHBondContact O-N 3.18Å; Q518-Q522 PolarHBondContact O-OE1 2.99Å; K519-Q522 PolarHBondContact O-N 3.12Å; Q522-N524 PolarHBondContact O-N 3.41Å; Q522-M528 HydrophobicContact CG-CG 4.41Å
523	S	56.9	Low	77.1	Confident	79 Å²	79	43 Å²	43	55%	0.552	23%	0.227	S	C	*	.	S	Bend	trans	-64.3	-15.6	-165.1	47.1	0	0	0	0	116.2	K519	K519-S523 WeakPolarHBondContact O-CA 3.5Å; K519-S523 WeakPolarHBondContact O-CB 3.5Å; K519-S523 PolarHBondContact O-N 3.48Å; K519-S523 PolarHBondContact O-OG 3.06Å
524	N	54.3	Low	77.2	Confident	139 Å²	139	43 Å²	43	74%	0.743	23%	0.227	S	C	*	.	S	Bend	trans	-174.8	-9.8	160.2	-100.1	-44	0	0	0	112.3	Q522	Q522-N524 PolarHBondContact O-N 3.41Å
525	S	60.8	Low	77.3	Confident	16 Å²	16	43.2 Å²	43.2	11%	0.112	23%	0.228	C	C	.	.			trans	-72.5	140.1	-173.1	92	0	0	0	0	113.3	D486 V521 L527	D486-S525 VanDerWaalsContact OD1-CA 3.28Å; D486-S525 WeakPolarHBondContact OD1-CA 3.44Å; D486-S525 WeakPolarHBondContact OD1-CB 3.49Å; V521-S525 PolarHBondContact O-OG 3.16Å; S525-L527 PolarHBondContact O-N 3.38Å; S525-L527 WeakPolarHBondContact OG-CB 3.44Å; S525-L527 PolarHBondContact OG-N 3.42Å
526	R	71.7	Confident	77.5	Confident	82 Å²	82	46.9 Å²	46.9	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	3.5	167.5	-73.7	172.5	165.3	159.5	-3.4	113.2	E208 M528 E529 I530	E208-R526 IonicContact OE1-CZ 3.61Å; E208-R526 IonicContact OE1-NH1 2.83Å; E208-R526 PolarHBondContact OE1-NH1 3.13Å; R526-M528 VanDerWaalsContact C-N 3.34Å; R526-M528 PolarHBondContact O-N 3.18Å; R526-E529 WeakPolarHBondContact O-CB 3.34Å; R526-E529 PolarHBondContact O-N 3.37Å; R526-I530 HydrophobicContact CB-CD1 4.22Å; R526-I530 WeakPolarHBondContact O-CG1 3.41Å; R526-I530 PolarHBondContact O-N 3.39Å; R526-I530 VanDerWaalsContact O-N 3.14Å
527	L	83.7	Confident	77.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-42.9	-169.7	-164.8	76.5	0	0	0	112.5	L485 A489 M492 L510 V521 S525 E529 I530 V531 W708	L485-L527 HydrophobicContact CB-CD2 4.47Å; L485-L527 HydrophobicContact CD2-CD2 4.45Å; A489-L527 HydrophobicContact CB-CB 4.28Å; A489-L527 HydrophobicContact CB-CD1 3.75Å; M492-L527 HydrophobicContact SD-CD1 3.51Å; M492-L527 VanDerWaalsContact SD-CD1 3.51Å; L510-L527 HydrophobicContact CD1-CD1 3.89Å; L510-L527 HydrophobicContact CD1-CD2 4.17Å; L510-L527 HydrophobicContact CD1-CG 4.29Å; L510-L527 HydrophobicContact CD2-CD1 4.32Å; L510-L527 HydrophobicContact CD2-CD2 3.66Å; V521-L527 HydrophobicContact CG1-CB 4.37Å; V521-L527 HydrophobicContact CG1-CD2 3.86Å; S525-L527 PolarHBondContact O-N 3.38Å; S525-L527 WeakPolarHBondContact OG-CB 3.44Å; S525-L527 PolarHBondContact OG-N 3.42Å; L527-E529 VanDerWaalsContact C-N 3.31Å; L527-E529 PolarHBondContact O-N 3.36Å; L527-I530 PolarHBondContact O-N 3.43Å; L527-V531 HydrophobicContact CG-CG2 4.48Å; L527-V531 WeakPolarHBondContact O-CG2 3.27Å; L527-V531 PolarHBondContact O-N 3.07Å; L527-W708 HydrophobicContact CD2-CH2 3.7Å; L527-W708 HydrophobicContact CD2-CZ2 4.42Å; L527-W708 HydrophobicContact CD2-CZ3 4.35Å; L527-W708 HydrophobicContact CG-CH2 4.34Å
528	M	82.5	Confident	78.5	Confident	41 Å²	41	47 Å²	47	20%	0.202	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-40.1	175.5	-69.4	-63.9	-57	0	0	112.3	V521 Q522 R526 A532 L705 W708	V521-M528 HydrophobicContact CB-CG 4.29Å; V521-M528 HydrophobicContact CB-SD 4.16Å; V521-M528 HydrophobicContact CG1-CG 3.86Å; V521-M528 HydrophobicContact CG1-SD 3.77Å; Q522-M528 HydrophobicContact CG-CG 4.41Å; R526-M528 VanDerWaalsContact C-N 3.34Å; R526-M528 PolarHBondContact O-N 3.18Å; M528-A532 VanDerWaalsContact O-CB 3.24Å; M528-A532 WeakPolarHBondContact O-CB 3.33Å; M528-A532 PolarHBondContact O-N 3.45Å; M528-A532 VanDerWaalsContact O-N 3.09Å; M528-L705 HydrophobicContact CE-CD2 3.57Å; M528-L705 HydrophobicContact SD-CD2 4.36Å; M528-W708 HydrophobicContact CE-CE3 4.42Å; M528-W708 HydrophobicContact SD-CB 4.41Å; M528-W708 HydrophobicContact SD-CD2 4.22Å; M528-W708 HydrophobicContact SD-CE3 3.44Å; M528-W708 HydrophobicContact SD-CZ3 4Å
529	E	83	Confident	78.9	Confident	89 Å²	89	49.5 Å²	49.5	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-44.5	177.8	-61.7	178.7	-152.1	0	0	111.2	R526 L527 A532 Q533 R542	R526-E529 WeakPolarHBondContact O-CB 3.34Å; R526-E529 PolarHBondContact O-N 3.37Å; L527-E529 VanDerWaalsContact C-N 3.31Å; L527-E529 PolarHBondContact O-N 3.36Å; E529-A532 PolarHBondContact O-N 3.26Å; E529-Q533 VanDerWaalsContact O-CG 3.26Å; E529-Q533 WeakPolarHBondContact O-CG 3.31Å; E529-Q533 PolarHBondContact O-N 3.27Å; E529-R542 IonicContact OE2-CZ 3.02Å; E529-R542 IonicContact OE2-NH1 3.86Å; E529-R542 PolarHBondContact OE2-NH1 2.95Å; E529-R542 IonicContact OE2-NH2 3.46Å; E529-R542 PolarHBondContact OE2-NH2 2.9Å
530	I	86.7	Confident	79.1	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-72.4	-40.9	-174.9	-53.2	160.8	0	0	0	110.7	A489 M492 R526 L527 A532 Q533 W534	A489-I530 HydrophobicContact CB-CD1 4.35Å; M492-I530 HydrophobicContact CB-CD1 4.4Å; M492-I530 HydrophobicContact CB-CG2 3.92Å; M492-I530 HydrophobicContact CE-CB 4.14Å; M492-I530 HydrophobicContact CE-CG2 3.66Å; M492-I530 HydrophobicContact SD-CB 4.45Å; M492-I530 HydrophobicContact SD-CG2 4.24Å; R526-I530 HydrophobicContact CB-CD1 4.22Å; R526-I530 WeakPolarHBondContact O-CG1 3.41Å; R526-I530 PolarHBondContact O-N 3.39Å; R526-I530 VanDerWaalsContact O-N 3.14Å; L527-I530 PolarHBondContact O-N 3.43Å; I530-A532 VanDerWaalsContact C-N 3.33Å; I530-A532 PolarHBondContact O-N 3.5Å; I530-Q533 WeakPolarHBondContact O-CB 3.39Å; I530-Q533 PolarHBondContact O-N 2.78Å; I530-Q533 VanDerWaalsContact O-N 3.15Å; I530-W534 HydrophobicContact CG2-CD2 4.47Å; I530-W534 HydrophobicContact CG2-CZ2 4.19Å; I530-W534 PolarHBondContact O-N 3.38Å
531	V	90.3	Very high	78.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-39.4	174	-179.7	0	0	0	0	110.6	M492 L507 L510 L527 Q533 W534 T535 A701 L704 L705 W708	M492-V531 HydrophobicContact CE-CG2 3.76Å; M492-V531 HydrophobicContact SD-CG2 4.48Å; L507-V531 HydrophobicContact CD2-CG2 4.12Å; L510-V531 HydrophobicContact CD1-CG2 4.49Å; L527-V531 HydrophobicContact CG-CG2 4.48Å; L527-V531 WeakPolarHBondContact O-CG2 3.27Å; L527-V531 PolarHBondContact O-N 3.07Å; V531-Q533 VanDerWaalsContact C-N 3.29Å; V531-Q533 PolarHBondContact O-N 2.73Å; V531-W534 PolarHBondContact O-N 3.31Å; V531-T535 PolarHBondContact O-N 3.28Å; V531-T535 VanDerWaalsContact O-N 3.15Å; V531-A701 HydrophobicContact CG1-CB 3.79Å; V531-L704 HydrophobicContact CG1-CB 4.27Å; V531-L705 HydrophobicContact CB-CD2 4.32Å; V531-L705 HydrophobicContact CG1-CD1 4.16Å; V531-L705 HydrophobicContact CG1-CD2 4.08Å; V531-L705 HydrophobicContact CG1-CG 3.81Å; V531-W708 HydrophobicContact CG2-CZ3 4.13Å
532	A	88.3	Confident	77.9	Confident	44 Å²	44	51.7 Å²	51.7	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-21.5	173.8	0	0	0	0	0	114.4	M528 E529 I530 T535 L705	M528-A532 VanDerWaalsContact O-CB 3.24Å; M528-A532 WeakPolarHBondContact O-CB 3.33Å; M528-A532 PolarHBondContact O-N 3.45Å; M528-A532 VanDerWaalsContact O-N 3.09Å; E529-A532 PolarHBondContact O-N 3.26Å; I530-A532 VanDerWaalsContact C-N 3.33Å; I530-A532 PolarHBondContact O-N 3.5Å; A532-T535 PolarHBondContact O-OG1 2.8Å; A532-L705 HydrophobicContact CB-CD1 3.98Å
533	Q	87.7	Confident	77	Confident	50 Å²	50	51 Å²	51	23%	0.234	29%	0.288	C	S	.	.	H	α-helix	trans	-75.5	-42.1	168.5	-73.9	158.3	-4.6	0	0	110.6	E529 I530 V531 T535 S536 D537 H540	E529-Q533 VanDerWaalsContact O-CG 3.26Å; E529-Q533 WeakPolarHBondContact O-CG 3.31Å; E529-Q533 PolarHBondContact O-N 3.27Å; I530-Q533 WeakPolarHBondContact O-CB 3.39Å; I530-Q533 PolarHBondContact O-N 2.78Å; I530-Q533 VanDerWaalsContact O-N 3.15Å; V531-Q533 VanDerWaalsContact C-N 3.29Å; V531-Q533 PolarHBondContact O-N 2.73Å; Q533-T535 VanDerWaalsContact C-N 3.33Å; Q533-T535 PolarHBondContact O-N 3.28Å; Q533-S536 PolarHBondContact O-N 2.93Å; Q533-D537 PolarHBondContact O-N 3.28Å; Q533-H540 HydrophobicContact CB-CB 4.2Å; Q533-H540 PolarHBondContact OE1-CD2 3.43Å; Q533-H540 PolarHBondContact OE1-NE2 3.13Å
534	W	92.3	Very high	76	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72.6	-16.4	-178.3	-69	6.1	0	0	0	114.9	M492 K503 L507 I530 V531 P538 H540 I697 A701	M492-W534 HydrophobicContact CB-CH2 3.63Å; M492-W534 HydrophobicContact CB-CZ2 3.72Å; M492-W534 HydrophobicContact CE-CD2 3.82Å; M492-W534 HydrophobicContact CE-CE3 3.44Å; M492-W534 VanDerWaalsContact CE-CE3 3.44Å; M492-W534 HydrophobicContact CE-CH2 3.58Å; M492-W534 HydrophobicContact CE-CZ2 3.96Å; M492-W534 HydrophobicContact CE-CZ3 3.32Å; M492-W534 HydrophobicContact CG-CH2 3.56Å; M492-W534 HydrophobicContact CG-CZ2 4.14Å; M492-W534 HydrophobicContact CG-CZ3 4.09Å; M492-W534 HydrophobicContact SD-CH2 4.44Å; K503-W534 HydrophobicContact CB-CE3 4.33Å; K503-W534 HydrophobicContact CB-CH2 3.86Å; K503-W534 HydrophobicContact CB-CZ3 3.65Å; K503-W534 HydrophobicContact CD-CH2 4.11Å; K503-W534 HydrophobicContact CD-CZ2 4.1Å; K503-W534 HydrophobicContact CD-CZ3 4.45Å; K503-W534 HydrophobicContact CG-CH2 3.51Å; K503-W534 HydrophobicContact CG-CZ2 3.96Å; K503-W534 HydrophobicContact CG-CZ3 3.85Å; L507-W534 HydrophobicContact CD1-CE3 4.22Å; L507-W534 HydrophobicContact CD2-CE3 4.1Å; L507-W534 HydrophobicContact CD2-CZ3 4.33Å; L507-W534 HydrophobicContact CG-CE3 4.21Å; L507-W534 HydrophobicContact CG-CZ3 4.3Å; I530-W534 HydrophobicContact CG2-CD2 4.47Å; I530-W534 HydrophobicContact CG2-CZ2 4.19Å; I530-W534 PolarHBondContact O-N 3.38Å; V531-W534 PolarHBondContact O-N 3.31Å; W534-P538 WeakPolarHBondContact O-CD 3.48Å; W534-P538 WeakPolarHBondContact O-CG 3.45Å; W534-H540 PolarHBondContact NE1-O 2.8Å; W534-I697 HydrophobicContact CB-CG2 4.44Å; W534-I697 HydrophobicContact CE3-CG2 4.26Å; W534-A701 HydrophobicContact CB-CB 4.37Å
535	T	91	Very high	74.8	Confident	34 Å²	34	49.5 Å²	49.5	21%	0.209	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.5	165.6	56.9	0	0	0	0	112.9	V531 A532 Q533 A701 C702 L705	V531-T535 PolarHBondContact O-N 3.28Å; V531-T535 VanDerWaalsContact O-N 3.15Å; A532-T535 PolarHBondContact O-OG1 2.8Å; Q533-T535 VanDerWaalsContact C-N 3.33Å; Q533-T535 PolarHBondContact O-N 3.28Å; T535-A701 HydrophobicContact CG2-CB 3.58Å; T535-C702 HydrophobicContact CG2-CB 4.29Å; T535-C702 WeakPolarHBondContact CG2-SG 3.07Å; T535-L705 HydrophobicContact CG2-CD1 3.64Å
536	S	88.3	Confident	73.4	Confident	93 Å²	93	53.7 Å²	53.7	65%	0.65	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-54.7	-176.4	-51.8	0	0	0	0	110.7	Q533	Q533-S536 PolarHBondContact O-N 2.93Å
537	D	88.4	Confident	71.5	Confident	68 Å²	68	53.6 Å²	53.6	36%	0.364	30%	0.303	S	S	.	.			trans	-138.1	101.8	176.2	175.3	30.1	0	0	0	111.2	Q533 H539 H540	Q533-D537 PolarHBondContact O-N 3.28Å; D537-H539 PolarHBondContact O-N 3.25Å; D537-H539 VanDerWaalsContact O-N 3.1Å; D537-H539 VanDerWaalsContact OD1-CB 3.3Å; D537-H539 WeakPolarHBondContact OD1-CB 3.47Å; D537-H539 IonicContact OD1-CE1 2.79Å; D537-H539 IonicContact OD1-CG 3.98Å; D537-H539 PolarHBondContact OD1-N 3.44Å; D537-H539 IonicContact OD1-ND1 3.94Å; D537-H539 PolarHBondContact OD1-ND1 2.59Å; D537-H540 WeakPolarHBondContact O-CB 3.43Å; D537-H540 PolarHBondContact O-N 3.06Å
538	P	88.2	Confident	69	Low	1 Å²	1	58.5 Å²	58.5	1%	0.006	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.6	169.8	-32.5	39.5	0	0	0	115.6	W500 K503 W534 H540 I694 I697 K698	W500-P538 HydrophobicContact CE3-CB 4.48Å; W500-P538 HydrophobicContact CH2-CB 4.29Å; W500-P538 HydrophobicContact CZ3-CB 3.66Å; K503-P538 PolarHBondContact NZ-O 3.45Å; W534-P538 WeakPolarHBondContact O-CD 3.48Å; W534-P538 WeakPolarHBondContact O-CG 3.45Å; P538-H540 PolarHBondContact O-N 3.27Å; P538-I694 HydrophobicContact CB-CG1 4.49Å; P538-I694 HydrophobicContact CG-CG2 4.07Å; P538-I697 HydrophobicContact CB-CB 4.37Å; P538-I697 HydrophobicContact CB-CG2 3.87Å; P538-I697 HydrophobicContact CG-CB 4.29Å; P538-I697 HydrophobicContact CG-CG2 3.95Å; P538-K698 HydrophobicContact CG-CG 3.76Å
539	H	84.5	Confident	66.7	Low	71 Å²	71	64.8 Å²	64.8	33%	0.329	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.5	175.6	-56.9	86.9	0	0	0	113	W500 D537 C541	W500-H539 AromaticContact CH2-CD2 3.49Å; W500-H539 VanDerWaalsContact CH2-CD2 3.49Å; W500-H539 WeakPolarHBondContact CH2-CD2 3.24Å; W500-H539 AromaticContact CH2-CE1 3.84Å; W500-H539 AromaticContact CH2-CG 3.84Å; W500-H539 AromaticContact CH2-NE2 3.51Å; W500-H539 AromaticContact CZ2-CD2 3.93Å; W500-H539 AromaticContact CZ2-NE2 3.62Å; D537-H539 PolarHBondContact O-N 3.25Å; D537-H539 VanDerWaalsContact O-N 3.1Å; D537-H539 VanDerWaalsContact OD1-CB 3.3Å; D537-H539 WeakPolarHBondContact OD1-CB 3.47Å; D537-H539 IonicContact OD1-CE1 2.79Å; D537-H539 IonicContact OD1-CG 3.98Å; D537-H539 PolarHBondContact OD1-N 3.44Å; D537-H539 IonicContact OD1-ND1 3.94Å; D537-H539 PolarHBondContact OD1-ND1 2.59Å; H539-C541 PolarHBondContact O-N 3.38Å
540	H	77.7	Confident	64.2	Low	69 Å²	69	64.8 Å²	64.8	32%	0.319	37%	0.373	S	S	.	.			trans	-65.5	92.9	-172.4	-165.8	92	0	0	0	113.2	Q533 W534 D537 P538	Q533-H540 HydrophobicContact CB-CB 4.2Å; Q533-H540 PolarHBondContact OE1-CD2 3.43Å; Q533-H540 PolarHBondContact OE1-NE2 3.13Å; W534-H540 PolarHBondContact NE1-O 2.8Å; D537-H540 WeakPolarHBondContact O-CB 3.43Å; D537-H540 PolarHBondContact O-N 3.06Å; P538-H540 PolarHBondContact O-N 3.27Å
541	C	63.1	Low	61.5	Low	31 Å²	31	72 Å²	72	21%	0.209	40%	0.4	C	S	.	.			trans	-105.6	106.7	166.6	-64	0	0	0	0	107.8	A495 K503 H539 A543	A495-C541 PolarHBondContact O-SG 3.49Å; K503-C541 WeakPolarHBondContact CE-SG 3.49Å; K503-C541 PolarHBondContact NZ-SG 3.44Å; H539-C541 PolarHBondContact O-N 3.38Å; C541-A543 PolarHBondContact O-N 2.91Å; C541-A543 VanDerWaalsContact O-N 3.09Å
542	R	56.5	Low	58.6	Low	73 Å²	73	81.6 Å²	81.6	28%	0.275	44%	0.442	S	S	.	.			trans	-64.2	108.7	-162.4	-165.6	-178.7	-166.8	165.4	7	112.5	E529 R544	E529-R542 IonicContact OE2-CZ 3.02Å; E529-R542 IonicContact OE2-NH1 3.86Å; E529-R542 PolarHBondContact OE2-NH1 2.95Å; E529-R542 IonicContact OE2-NH2 3.46Å; E529-R542 PolarHBondContact OE2-NH2 2.9Å; R542-R544 PolarHBondContact O-N 3.36Å; R542-R544 VanDerWaalsContact O-N 3.12Å
543	A	41.5	Very low	55.9	Low	88 Å²	88	84.6 Å²	84.6	73%	0.727	46%	0.46	S	S	*	.			trans	-63.8	112.3	171.9	0	0	0	0	0	110.4	C541 S545	C541-A543 PolarHBondContact O-N 2.91Å; C541-A543 VanDerWaalsContact O-N 3.09Å; A543-S545 PolarHBondContact O-N 2.94Å; A543-S545 VanDerWaalsContact O-N 3.1Å
544	R	35.3	Very low	53.1	Low	99 Å²	99	87.4 Å²	87.4	37%	0.374	48%	0.476	S	S	.	.			trans	-78.6	91	-168	-73.8	175.4	-86.9	-147.6	-3.7	112.8	S204 E208 D494 R542	S204-R544 VanDerWaalsContact CB-CD 3.46Å; S204-R544 VanDerWaalsContact OG-CD 3.27Å; S204-R544 WeakPolarHBondContact OG-CD 3.29Å; E208-R544 IonicContact OE2-NH1 2.72Å; D494-R544 IonicContact OD1-CZ 3.64Å; D494-R544 IonicContact OD1-NH1 3.23Å; D494-R544 PolarHBondContact OD1-NH1 3.29Å; D494-R544 VanDerWaalsContact OD1-NH1 3.14Å; D494-R544 IonicContact OD1-NH2 3.28Å; D494-R544 PolarHBondContact OD1-NH2 3.5Å; R542-R544 PolarHBondContact O-N 3.36Å; R542-R544 VanDerWaalsContact O-N 3.12Å
545	S	29.8	Very low	50	Low	86 Å²	86	94.4 Å²	94.4	60%	0.601	51%	0.513	S	S	*	.			trans	-154.1	26.5	177.3	62.1	0	0	0	0	118	A543	A543-S545 PolarHBondContact O-N 2.94Å; A543-S545 VanDerWaalsContact O-N 3.1Å
546	I	30.3	Very low	47.1	Very low	104 Å²	104	100 Å²	100	53%	0.533	54%	0.541	S	S	.	.			trans	-131.8	126	170.8	-50.4	-179.4	0	0	0	110.8
547	P	31.8	Very low	44.2	Very low	80 Å²	80	103.7 Å²	103.7	52%	0.519	55%	0.548	S	S	.	.			trans	-69.7	158.6	172.5	-19.4	33.2	0	0	0	113.5	E549	P547-E549 PolarHBondContact O-N 3.2Å; P547-E549 VanDerWaalsContact O-N 3.14Å
548	P	32.5	Very low	41.2	Very low	103 Å²	103	108.7 Å²	108.7	67%	0.669	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-65.8	-16.7	-174.9	-22.6	34.7	0	0	0	116.2	S550	P548-S550 PolarHBondContact O-N 2.81Å
549	E	32.6	Very low	38.5	Very low	174 Å²	174	112.1 Å²	112.1	81%	0.813	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-79.5	-11.7	-162.4	-60.6	-177.4	129.7	0	0	114.9	P547 W551	P547-E549 PolarHBondContact O-N 3.2Å; P547-E549 VanDerWaalsContact O-N 3.14Å; E549-W551 PolarHBondContact O-N 3.39Å
550	S	32	Very low	35.9	Very low	88 Å²	88	115.9 Å²	115.9	62%	0.615	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-90	14.4	-173	74.4	0	0	0	0	116	P548	P548-S550 PolarHBondContact O-N 2.81Å
551	W	29	Very low	33.5	Very low	156 Å²	156	118.6 Å²	118.6	59%	0.591	65%	0.645	S	S	*	*			trans	-117.9	11.7	-166.1	-71.2	74.3	0	0	0	115.6	E549 S553 I554	E549-W551 PolarHBondContact O-N 3.39Å; W551-S553 PolarHBondContact O-N 3.01Å; W551-I554 HydrophobicContact CE3-CD1 3.98Å; W551-I554 HydrophobicContact CZ3-CD1 3.95Å
552	K	30.6	Very low	31.8	Very low	201 Å²	201	122 Å²	122	87%	0.874	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	33.4	178	-66.6	-172.8	174.9	-179.3	0	114.6
553	S	30.1	Very low	30.4	Very low	107 Å²	107	125.4 Å²	125.4	75%	0.748	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.3	30.1	-174.2	-52.1	0	0	0	0	114.5	W551	W551-S553 PolarHBondContact O-N 3.01Å
554	I	30.1	Very low	29.9	Very low	110 Å²	110	128.4 Å²	128.4	56%	0.564	70%	0.702	S	S	*	*			trans	-129.8	81.1	172.4	-54	-178.4	0	0	0	109	W551 L556	W551-I554 HydrophobicContact CE3-CD1 3.98Å; W551-I554 HydrophobicContact CZ3-CD1 3.95Å; I554-L556 HydrophobicContact CG2-CD1 4.28Å; I554-L556 HydrophobicContact CG2-CG 4.26Å; I554-L556 PolarHBondContact O-N 3.46Å
555	D	27.1	Very low	29.6	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	72%	0.722	S	S	*	*			trans	-76.4	97.7	169.9	-70	-59.1	0	0	0	110	H557	D555-H557 PolarHBondContact O-N 3.34Å
556	L	29.2	Very low	29.4	Very low	151 Å²	151	133.8 Å²	133.8	79%	0.791	74%	0.735	S	S	*	*			trans	-85.9	87.8	170.6	-90.7	162.3	0	0	0	110	I554 I558	I554-L556 HydrophobicContact CG2-CD1 4.28Å; I554-L556 HydrophobicContact CG2-CG 4.26Å; I554-L556 PolarHBondContact O-N 3.46Å; L556-I558 PolarHBondContact O-N 3.08Å; L556-I558 VanDerWaalsContact O-N 3.1Å
557	H	28.8	Very low	29.5	Very low	172 Å²	172	134 Å²	134	80%	0.796	75%	0.752	S	S	*	*			trans	-58.8	109.6	169.4	-88	-88.7	0	0	0	111	D555	D555-H557 PolarHBondContact O-N 3.34Å
558	I	25.5	Very low	29.3	Very low	172 Å²	172	132.8 Å²	132.8	88%	0.882	76%	0.755	S	S	*	*			trans	-93.5	109.5	161.6	-60.5	176.4	0	0	0	106.6	L556	L556-I558 PolarHBondContact O-N 3.08Å; L556-I558 VanDerWaalsContact O-N 3.1Å
559	A	30.8	Very low	29.1	Very low	74 Å²	74	137.6 Å²	137.6	61%	0.612	77%	0.765	S	S	*	*			trans	-142.4	118.8	179.1	0	0	0	0	0	112
560	D	30.5	Very low	28.8	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	76%	0.76	S	S	*	*			trans	46.7	97.4	141.5	-55.2	-15	0	0	0	120.9
561	T	25.9	Very low	28.6	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	77%	0.765	S	S	*	*				31	125.2	125.9	54.6	0	0	0	0	121.7
562	S	27.6	Very low	28.6	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	77%	0.772	S	S	*	*			trans	98.3	136.3	134.8	80.7	0	0	0	0	121.5
563	N	27.7	Very low	28.6	Very low	146 Å²	146	134 Å²	134	78%	0.781	77%	0.772	S	S	*	*			trans	63.7	92.9	150.4	-58.3	-15.6	0	0	0	121.2
564	V	30.6	Very low	28.4	Very low	151 Å²	151	136.8 Å²	136.8	92%	0.915	78%	0.778	S	S	*	*			trans	-137	148	136	-175.4	0	0	0	0	108.7
565	T	28.6	Very low	28.6	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	78%	0.781	S	S	*	*			trans	-120	164.9	-162.4	-43.8	0	0	0	0	113.7
566	L	26.6	Very low	28.6	Very low	170 Å²	170	134.8 Å²	134.8	89%	0.89	78%	0.778	S	S	*	*			trans	-50.9	142	-178.7	-84.5	67.7	0	0	0	117
567	A	31.5	Very low	28.5	Very low	107 Å²	107	135.5 Å²	135.5	88%	0.884	78%	0.777	S	S	*	*			trans	-164.1	151.6	133.8	0	0	0	0	0	108.7
568	G	27.1	Very low	28.8	Very low	56 Å²	56	133 Å²	133	58%	0.577	78%	0.779	S	S	*	*			cis	160	141.4	-8.5	0	0	0	0	0	111.7
569	F	29.7	Very low	29	Very low	203 Å²	203	131.6 Å²	131.6	89%	0.89	77%	0.773	S	S	*	*			trans	70	141.7	175.2	-44	-77.7	0	0	0	115.6
570	S	26.2	Very low	29.1	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	79%	0.787	S	S	*	*			cis	79.7	134	27.3	-49.5	0	0	0	0	113.3
571	T	27.1	Very low	29.3	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	78%	0.782	S	S	*	*			cis	-162.6	171.1	7.3	-3.8	0	0	0	0	112.8
572	D	29.4	Very low	29.7	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	78%	0.778	S	S	*	*			trans	72.9	127.3	145.7	-56.7	-24.9	0	0	0	126
573	E	31.6	Very low	29.9	Very low	191 Å²	191	138 Å²	138	89%	0.893	78%	0.783	S	S	*	*			trans	75.5	165.2	137.8	-67.8	-165	157.1	0	0	125.7
574	L	25.7	Very low	30.1	Very low	165 Å²	165	137.6 Å²	137.6	86%	0.864	78%	0.777	S	S	*	*			trans	-125.6	-176.9	-164.1	-94.6	160.2	0	0	0	108.8
575	P	32.9	Very low	30	Very low	97 Å²	97	134.8 Å²	134.8	63%	0.63	76%	0.76	S	S	*	*			cis	-136.5	-164.6	-13.4	30.2	-5.6	0	0	0	115
576	T	27	Very low	30.1	Very low	117 Å²	117	136.6 Å²	136.6	72%	0.718	76%	0.757	S	S	*	*			trans	88.8	125.4	141.5	32.7	0	0	0	0	124.5
577	E	28.3	Very low	30.3	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	75%	0.749	S	S	*	*			trans	60	124.9	145.5	-58.9	-162.2	-174.1	0	0	124.9
578	S	34.6	Very low	30	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	75%	0.747	S	S	*	*				-162.1	156.6	115	38	0	0	0	0	111.7
579	N	29.7	Very low	30.3	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	76%	0.755	S	S	*	*			trans	-94.1	166.2	-169.2	-59.7	-68.9	0	0	0	114
580	F	33.4	Very low	30.2	Very low	204 Å²	204	138 Å²	138	90%	0.895	75%	0.753	S	S	*	*			trans	168	139.8	139	-100.2	-80.4	0	0	0	109.1
581	D	33.1	Very low	30.2	Very low	132 Å²	132	137.2 Å²	137.2	71%	0.706	75%	0.747	S	S	*	*			cis	-169.9	169.6	-30.9	-155.4	-9.4	0	0	0	109.8
582	S	36	Very low	30.2	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	75%	0.745	S	S	*	*			trans	62.5	133.6	174.3	58.9	0	0	0	0	118
583	D	31.3	Very low	30.2	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	75%	0.747	S	S	*	*				76	144.7	53.5	-79.6	-35.8	0	0	0	114.7
584	E	32	Very low	30.3	Very low	137 Å²	137	135.7 Å²	135.7	64%	0.64	74%	0.736	S	S	*	*			cis	-147.3	-172.8	8.9	-138.4	-129.2	103.8	0	0	113.7	K586	E584-K586 IonicContact OE1-NZ 2.67Å; E584-K586 PolarHBondContact OE1-NZ 2.98Å; E584-K586 IonicContact OE2-NZ 3.63Å
585	T	28.2	Very low	30.5	Very low	92 Å²	92	134.5 Å²	134.5	56%	0.564	73%	0.731	S	S	*	*			trans	-85.7	-172.5	-166	66.4	0	0	0	0	117.1
586	K	30.7	Very low	30.4	Very low	166 Å²	166	137.4 Å²	137.4	72%	0.722	74%	0.736	S	S	*	*			trans	77.6	158	161	-62.7	141	-166.6	148.4	0	116.7	E584	E584-K586 IonicContact OE1-NZ 2.67Å; E584-K586 PolarHBondContact OE1-NZ 2.98Å; E584-K586 IonicContact OE2-NZ 3.63Å
587	S	31.1	Very low	30.6	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	74%	0.74	S	S	*	*			cis	-169.2	143.2	-17.6	50	0	0	0	0	113.1
588	L	25.6	Very low	30.7	Very low	164 Å²	164	134.5 Å²	134.5	86%	0.859	74%	0.739	S	S	*	*				50.7	156.4	127.3	-146.9	73.5	0	0	0	122.6
589	S	31.8	Very low	30.3	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	73%	0.73	S	S	*	*			trans	90.4	133.1	170.1	75.1	0	0	0	0	116.6
590	K	27.7	Very low	30.4	Very low	195 Å²	195	133 Å²	133	85%	0.848	73%	0.728	S	S	*	*			cis	86.3	122.5	27.9	-168.1	-173.8	-178.9	-178.6	0	111.2
591	S	27.1	Very low	30.2	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	72%	0.72	S	S	*	*			cis	-173	-176.8	1.6	50.9	0	0	0	0	113.6
592	T	27.6	Very low	29.9	Very low	107 Å²	107	131 Å²	131	66%	0.656	73%	0.726	S	S	*	*			trans	71.1	132.6	141.8	39.3	0	0	0	0	121.5
593	K	29.2	Very low	29.6	Very low	179 Å²	179	130 Å²	130	78%	0.778	73%	0.731	S	S	*	*			trans	71.9	159.1	138.4	-75.4	-178.7	174.5	-162.1	0	117.7
594	D	33.8	Very low	29.5	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	73%	0.733	S	S	*	*			cis	-128.7	150.7	-3.4	-93.9	-48.6	0	0	0	107.3
595	N	28.5	Very low	29.7	Very low	139 Å²	139	133.6 Å²	133.6	74%	0.743	75%	0.745	S	S	*	*				82.5	155.5	60.6	-156.6	29.3	0	0	0	114.5
596	E	32.5	Very low	29.6	Very low	158 Å²	158	136.9 Å²	136.9	74%	0.738	76%	0.759	S	S	*	*			trans	76.7	119.9	177.3	-50.9	-156.4	127.5	0	0	116.2
597	S	29.7	Very low	29.7	Very low	116 Å²	116	134 Å²	134	81%	0.811	76%	0.76	S	S	*	*				92.2	141.3	80.6	-63.4	0	0	0	0	112.2
598	S	31.3	Very low	29.7	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	76%	0.76	S	S	*	*			cis	-155.5	177.9	13.9	55.4	0	0	0	0	113.6
599	S	26.5	Very low	29.9	Very low	93 Å²	93	137 Å²	137	65%	0.65	76%	0.759	S	S	*	*			trans	-38.2	156.6	162.5	51.2	0	0	0	0	116.4
600	I	31.3	Very low	29.9	Very low	137 Å²	137	136.3 Å²	136.3	70%	0.703	76%	0.761	S	S	*	*				-165.1	124.1	88.1	-91.3	163.3	0	0	0	113.5
601	Q	30.2	Very low	30.1	Very low	158 Å²	158	131.2 Å²	131.2	74%	0.738	76%	0.755	S	S	*	*				50.4	128.4	129.4	-50	177.8	-27.3	0	0	124.8
602	T	25.9	Very low	30.2	Very low	136 Å²	136	132.5 Å²	132.5	83%	0.834	76%	0.764	S	S	*	*			trans	46.1	137	131.9	64.6	0	0	0	0	123
603	G	30.4	Very low	30.5	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	77%	0.766	S	S	*	*			trans	176.4	85	159.2	0	0	0	0	0	115.5
604	D	28.1	Very low	30.4	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	76%	0.763	S	S	*	*			trans	-65.1	142.8	169.7	-52.1	-88.5	0	0	0	112.4
605	K	36.4	Very low	30.4	Very low	206 Å²	206	128 Å²	128	90%	0.896	77%	0.766	S	S	*	*			trans	-147.7	115	147.5	-70.7	-158.9	176.6	-179.2	0	112.5
606	N	26.6	Very low	30.5	Very low	161 Å²	161	126.1 Å²	126.1	86%	0.861	76%	0.764	S	S	*	*			trans	-82.2	145.5	158.5	-70.1	-35	0	0	0	110
607	S	33.1	Very low	30.4	Very low	106 Å²	106	126 Å²	126	74%	0.741	77%	0.768	S	S	*	*			trans	169.4	147.8	151.4	55.1	0	0	0	0	110
608	D	29.5	Very low	30.3	Very low	134 Å²	134	125.1 Å²	125.1	72%	0.717	76%	0.763	S	S	*	*			cis	-173.1	-176.6	-25.5	-107.2	-48	0	0	0	107.4
609	F	31	Very low	30.2	Very low	195 Å²	195	130.3 Å²	130.3	86%	0.855	77%	0.772	S	S	*	*			trans	72.9	117.5	172.1	-60.4	-87.1	0	0	0	115.7
610	A	31.9	Very low	30	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	78%	0.778	S	S	*	*			cis	100.3	137.6	47.4	0	0	0	0	0	111.7
611	A	32	Very low	29.9	Very low	87 Å²	87	130.1 Å²	130.1	72%	0.719	78%	0.783	S	S	*	*			cis	-157.3	154.7	-7.7	0	0	0	0	0	112.7
612	S	28.3	Very low	29.8	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	78%	0.782	S	S	*	*			trans	17.5	167.9	131.9	-41.1	0	0	0	0	122.7
613	P	34.8	Very low	30	Very low	108 Å²	108	129.1 Å²	129.1	70%	0.701	79%	0.785	S	S	*	*				-146.2	-171.5	-56.7	43.3	-25.6	0	0	0	114.9
614	S	27.7	Very low	29.8	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	78%	0.781	S	S	*	*			trans	82.7	167.8	139.9	75.9	0	0	0	0	123
615	S	33.3	Very low	29.9	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	77%	0.77	S	S	*	*			trans	60.4	126	-167.4	43.7	0	0	0	0	115.2
616	S	29.7	Very low	29.6	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	76%	0.762	S	S	*	*			cis	76.7	143.6	33.9	94.8	0	0	0	0	112.9
617	D	31.5	Very low	29.8	Very low	154 Å²	154	124.8 Å²	124.8	82%	0.824	75%	0.752	S	S	*	*			cis	-126.7	166.9	25.5	-67.5	-44.6	0	0	0	116.6
618	S	26.7	Very low	29.5	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	75%	0.75	S	S	*	*			trans	-93.1	151.8	169	56.6	0	0	0	0	112.3
619	F	29.2	Very low	29.4	Very low	216 Å²	216	124.2 Å²	124.2	95%	0.947	76%	0.757	S	S	*	*			trans	-147.8	143.4	142.3	-104.8	-70.2	0	0	0	112.3
620	S	22	Very low	29.1	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	75%	0.754	S	S	*	*			trans	-146.2	126.9	-176.2	54	0	0	0	0	112.6
621	S	30	Very low	29	Very low	116 Å²	116	124.2 Å²	124.2	81%	0.811	76%	0.757	S	S	*	*			trans	-162.2	138.3	156.7	52.1	0	0	0	0	108.9
622	S	26.9	Very low	28.8	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	76%	0.76	S	S	*	*			cis	113.3	58.7	6.9	82.8	0	0	0	0	116.4
623	L	30.1	Very low	28.6	Very low	172 Å²	172	127.5 Å²	127.5	90%	0.901	76%	0.761	S	S	*	*			trans	-133.7	119.6	155.6	-66.2	174.5	0	0	0	105.4
624	K	27	Very low	28.2	Very low	164 Å²	164	127.6 Å²	127.6	71%	0.713	77%	0.765	S	S	*	*			cis	67.2	127.8	17.9	-82.2	-161.2	165.6	-142.4	0	114.1
625	E	29.9	Very low	28.1	Very low	132 Å²	132	129.2 Å²	129.2	62%	0.617	77%	0.77	S	S	*	*			cis	-136.7	-171	-5.4	-59.9	-153.9	163.2	0	0	109.5
626	N	29.9	Very low	27.8	Very low	134 Å²	134	132 Å²	132	72%	0.717	78%	0.776	S	S	*	*			cis	-152.5	-136.8	11.4	-165.3	-91.5	0	0	0	110.3
627	A	31.5	Very low	27.6	Very low	79 Å²	79	131.1 Å²	131.1	65%	0.653	77%	0.768	S	S	*	*			trans	52.9	83.8	173.5	0	0	0	0	0	116.9
628	S	27.1	Very low	27.2	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	77%	0.766	S	S	*	*				58.7	126.3	73.8	85	0	0	0	0	113.9
629	C	27.3	Very low	27.3	Very low	127 Å²	127	133.9 Å²	133.9	86%	0.858	77%	0.767	S	S	*	*			cis	-133	168.3	36.5	-81.8	0	0	0	0	116.1
630	V	24.5	Very low	27.1	Very low	130 Å²	130	127.1 Å²	127.1	79%	0.788	74%	0.738	S	S	*	*			trans	-93.8	144	-174.2	172.2	0	0	0	0	111.9
631	L	29.6	Very low	27.5	Very low	157 Å²	157	127.5 Å²	127.5	82%	0.822	73%	0.728	S	S	*	*			trans	-164	114.7	135.7	-106	179.5	0	0	0	113
632	H	28.1	Very low	27.4	Very low	170 Å²	170	123.3 Å²	123.3	79%	0.787	70%	0.703	S	S	*	*			trans	29.8	121.3	159.8	-84.7	-91.5	0	0	0	121.8
633	A	23.6	Very low	27.4	Very low	96 Å²	96	123.4 Å²	123.4	79%	0.793	70%	0.702	S	S	*	*			trans	-64	150.1	159.1	0	0	0	0	0	112.9
634	S	27.3	Very low	27.2	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	69%	0.687	S	S	*	*			trans	-152.9	120	161.4	-77.1	0	0	0	0	109.2	L636	S634-L636 PolarHBondContact O-N 3.29Å
635	T	25.1	Very low	27.2	Very low	136 Å²	136	117.7 Å²	117.7	83%	0.834	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.7	-174.4	-46.9	0	0	0	0	112.1
636	L	26.7	Very low	27.1	Very low	165 Å²	165	118 Å²	118	86%	0.864	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-99.7	120.1	165.5	-70	177.1	0	0	0	108.9	S634	S634-L636 PolarHBondContact O-N 3.29Å
637	P	26.3	Very low	26.9	Very low	83 Å²	83	116.3 Å²	116.3	54%	0.539	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-72.3	160.2	-175.4	-16.7	30.3	0	0	0	114.1	Y639	P637-Y639 HydrophobicContact CB-CD2 4.13Å; P637-Y639 HydrophobicContact CB-CE2 3.65Å; P637-Y639 HydrophobicContact CG-CE2 3.95Å
638	V	23.2	Very low	26.7	Very low	128 Å²	128	120.6 Å²	120.6	78%	0.776	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-79.2	131.4	164.2	178.4	0	0	0	0	108.9
639	Y	27.4	Very low	26.6	Very low	182 Å²	182	122.2 Å²	122.2	71%	0.714	70%	0.696	S	S	*	*			trans	-140.3	105	167.7	-68.7	-77.9	0	0	0	104.5	P637	P637-Y639 HydrophobicContact CB-CD2 4.13Å; P637-Y639 HydrophobicContact CB-CE2 3.65Å; P637-Y639 HydrophobicContact CG-CE2 3.95Å
640	E	25.4	Very low	26.7	Very low	74 Å²	74	121.3 Å²	121.3	35%	0.346	69%	0.691	S	S	.	*				46.6	91.5	52.7	-94.5	-160.1	-98.5	0	0	112	L194 L195	L194-E640 WeakPolarHBondContact CA-OE2 3.2Å; L194-E640 HydrophobicContact CD2-CG 3.8Å; L195-E640 HydrophobicContact CB-CB 3.8Å; L195-E640 HydrophobicContact CB-CG 4.02Å; L195-E640 WeakPolarHBondContact CD1-OE2 3.49Å; L195-E640 PolarHBondContact N-OE2 3.14Å; L195-E640 CarbonylContact O-C 3.54Å; L195-E640 VanDerWaalsContact O-CA 3.28Å; L195-E640 WeakPolarHBondContact O-CA 3.09Å
641	E	31.3	Very low	26.8	Very low	119 Å²	119	120.2 Å²	120.2	56%	0.556	68%	0.681	S	S	*	*			trans	-133.7	100.7	-177.8	-75.7	-173.6	149.6	0	0	113.5	L195 G196 A197	L195-E641 VanDerWaalsContact CB-N 3.34Å; L195-E641 PolarHBondContact O-N 3.28Å; L195-E641 VanDerWaalsContact O-N 3.12Å; G196-E641 CarbonylContact C-O 3.58Å; G196-E641 WeakPolarHBondContact CA-O 3.5Å; G196-E641 VanDerWaalsContact N-C 3.33Å; G196-E641 PolarHBondContact N-O 3.46Å; A197-E641 PolarHBondContact N-O 3.15Å; A197-E641 VanDerWaalsContact N-O 3.13Å
642	G	26.2	Very low	26.7	Very low	28 Å²	28	118.3 Å²	118.3	29%	0.289	68%	0.679	S	S	.	*			trans	-177.4	114.1	-178.1	0	0	0	0	0	115.4	L195	L195-G642 WeakPolarHBondContact CG-O 2.96Å
643	C	28.5	Very low	26.7	Very low	102 Å²	102	117.6 Å²	117.6	69%	0.689	68%	0.681	S	S	*	*			trans	-149.3	121.4	166.8	-170.2	0	0	0	0	109.4	T198	T198-C643 WeakPolarHBondContact CG2-O 3.4Å
644	N	25.5	Very low	27.1	Very low	111 Å²	111	120.9 Å²	120.9	59%	0.594	68%	0.682	S	S	*	*			trans	-90.7	124.8	177.3	-84.9	-48.9	0	0	0	111
645	T	25.7	Very low	27.2	Very low	105 Å²	105	118.5 Å²	118.5	64%	0.644	67%	0.665	S	S	*	*			trans	65.1	97.6	147.8	-40.9	0	0	0	0	118.6
646	I	28.7	Very low	27.5	Very low	139 Å²	139	117.2 Å²	117.2	71%	0.713	66%	0.659	S	S	*	*			trans	-120.7	159	133.6	-66.8	-173.2	0	0	0	108
647	T	25.8	Very low	27.9	Very low	99 Å²	99	112.7 Å²	112.7	61%	0.607	64%	0.638	S	S	*	*			trans	-103.9	158.4	-161.5	61.6	0	0	0	0	114.5
648	Q	26.7	Very low	28.3	Very low	169 Å²	169	112.2 Å²	112.2	79%	0.79	63%	0.634	S	S	*	*			trans	68.6	104.7	165.9	-55.6	172.3	47.4	0	0	117.2
649	T	25.9	Very low	28.8	Very low	135 Å²	135	111.8 Å²	111.8	83%	0.828	63%	0.627	S	S	*	*				170	157.4	113.6	34	0	0	0	0	112.6
650	S	28.6	Very low	29.2	Very low	109 Å²	109	107.5 Å²	107.5	76%	0.762	62%	0.619	S	S	*	*			trans	54.3	110.5	171.7	57	0	0	0	0	117.7
651	D	27.7	Very low	29.6	Very low	107 Å²	107	110.9 Å²	110.9	57%	0.572	64%	0.64	S	S	*	*			trans	-50.8	145.5	152.7	-61.2	-99.3	0	0	0	110.8	D653	D651-D653 PolarHBondContact O-N 2.93Å
652	C	27.9	Very low	29.8	Very low	116 Å²	116	111.2 Å²	111.2	78%	0.784	65%	0.645	S	S	*	*			trans	-90.7	94.4	168.8	49.3	0	0	0	0	109.6	M654	C652-M654 PolarHBondContact O-N 3.39Å
653	D	27.7	Very low	30.4	Very low	155 Å²	155	113 Å²	113	83%	0.829	66%	0.664	S	S	*	*			trans	-55.6	119.6	174	-71.4	-53.1	0	0	0	111.2	D651	D651-D653 PolarHBondContact O-N 2.93Å
654	M	30.6	Very low	30.8	Very low	166 Å²	166	115.5 Å²	115.5	82%	0.818	67%	0.67	S	S	*	*			trans	-94.2	109.6	162.8	-74.9	-69.8	178.9	0	0	107.5	C652	C652-M654 PolarHBondContact O-N 3.39Å
655	S	29.8	Very low	31.1	Very low	61 Å²	61	113.7 Å²	113.7	43%	0.427	68%	0.678	S	S	.	*			trans	-54.5	145	179.1	51.7	0	0	0	0	112
656	P	32.7	Very low	31.3	Very low	109 Å²	109	117 Å²	117	71%	0.708	69%	0.686	S	S	*	*			trans	-61.3	143	-172.5	25.1	-35	0	0	0	113	T658	P656-T658 PolarHBondContact O-N 3.43Å
657	V	34.4	Very low	31.5	Very low	69 Å²	69	115 Å²	115	42%	0.418	68%	0.68	S	S	.	*			trans	-80.6	112.5	173.8	175.3	0	0	0	0	109.3	I669	V657-I669 HydrophobicContact CG1-CG2 3.94Å; V657-I669 HydrophobicContact CG2-CG2 4.44Å
658	T	34.3	Very low	31.8	Very low	74 Å²	74	118.5 Å²	118.5	45%	0.454	69%	0.689	S	S	.	*	B	Isolated β-bridge	trans	-81.6	121.6	169.4	51.1	0	0	0	0	110.2	P656	P656-T658 PolarHBondContact O-N 3.43Å
659	L	33.8	Very low	32.1	Very low	119 Å²	119	113.5 Å²	113.5	62%	0.623	67%	0.667	S	S	*	*			trans	-76.2	131.4	164.8	-72.5	167	0	0	0	109.2	V667	L659-V667 HydrophobicContact CD2-CG1 3.47Å; L659-V667 VanDerWaalsContact CD2-CG1 3.47Å
660	V	36.1	Very low	32.2	Very low	91 Å²	91	109 Å²	109	55%	0.552	65%	0.648	S	S	*	*			trans	-119.1	125.2	167.6	-169.3	0	0	0	0	106.4
661	D	33.1	Very low	32.4	Very low	145 Å²	145	108.6 Å²	108.6	78%	0.775	63%	0.63	S	S	*	*			trans	-97.8	89.1	-178.9	-175.7	9.1	0	0	0	109.7	G663	D661-G663 PolarHBondContact O-N 2.79Å; D661-G663 VanDerWaalsContact O-N 3.1Å; D661-G663 PolarHBondContact OD1-N 3.42Å
662	D	37	Very low	32.5	Very low	127 Å²	127	105.8 Å²	105.8	68%	0.679	62%	0.622	S	S	*	*			trans	-80.6	29.8	179.6	-79.4	-11.4	0	0	0	112.7	N664	D662-N664 PolarHBondContact O-N 3.37Å
663	G	37.9	Very low	32.6	Very low	66 Å²	66	103.2 Å²	103.2	68%	0.68	61%	0.609	S	S	*	*	S	Bend	trans	68.8	-9.9	162	0	0	0	0	0	117.8	D661	D661-G663 PolarHBondContact O-N 2.79Å; D661-G663 VanDerWaalsContact O-N 3.1Å; D661-G663 PolarHBondContact OD1-N 3.42Å
664	N	36.5	Very low	32.7	Very low	154 Å²	154	101.8 Å²	101.8	82%	0.824	60%	0.601	S	S	*	*	S	Bend	trans	-105.1	6.3	-173.9	-72.9	-31.2	0	0	0	114.2	D662 E666	D662-N664 PolarHBondContact O-N 3.37Å; N664-E666 VanDerWaalsContact C-N 3.33Å; N664-E666 PolarHBondContact O-N 3.43Å
665	G	32	Very low	32.7	Very low	72 Å²	72	99.9 Å²	99.9	74%	0.742	59%	0.594	S	S	*	*	S	Bend	trans	81	-2.7	174.7	0	0	0	0	0	116.5
666	E	30.6	Very low	32.9	Very low	174 Å²	174	103.7 Å²	103.7	81%	0.813	61%	0.61	S	S	*	*			trans	-96.5	124.7	171.1	-65.1	-159.8	134.5	0	0	111.5	N664	N664-E666 VanDerWaalsContact C-N 3.33Å; N664-E666 PolarHBondContact O-N 3.43Å
667	V	33.3	Very low	32.7	Very low	99 Å²	99	106.9 Å²	106.9	60%	0.6	62%	0.615	S	S	*	*			trans	-96.1	95.9	-179.6	-178.3	0	0	0	0	110.4	L659	L659-V667 HydrophobicContact CD2-CG1 3.47Å; L659-V667 VanDerWaalsContact CD2-CG1 3.47Å
668	E	31.2	Very low	32.5	Very low	171 Å²	171	111.4 Å²	111.4	80%	0.799	64%	0.637	S	S	*	*			trans	-75	126.5	169.2	-82.4	-129.7	107.8	0	0	111.4	G670	E668-G670 PolarHBondContact O-N 2.89Å
669	I	32.8	Very low	32.3	Very low	64 Å²	64	114.4 Å²	114.4	33%	0.328	65%	0.65	S	S	.	*			trans	-85.5	95.8	174.6	-61.5	176	0	0	0	109	V657 Y671	V657-I669 HydrophobicContact CG1-CG2 3.94Å; V657-I669 HydrophobicContact CG2-CG2 4.44Å; I669-Y671 HydrophobicContact CG2-CE2 3.98Å
670	G	29	Very low	32.2	Very low	40 Å²	40	116.1 Å²	116.1	41%	0.412	66%	0.656	S	S	.	*	B	Isolated β-bridge	trans	-80.3	121.9	173.7	0	0	0	0	0	112.6	E668 A672	E668-G670 PolarHBondContact O-N 2.89Å; G670-A672 PolarHBondContact O-N 3.05Å
671	Y	31.5	Very low	31.9	Very low	101 Å²	101	119 Å²	119	40%	0.396	67%	0.669	S	S	.	*			trans	-85.6	87.4	172.8	-69.9	-93.8	0	0	0	110.4	Y411 M418 I669 A673	Y411-Y671 WeakPolarHBondContact OH-CD2 3.36Å; Y411-Y671 WeakPolarHBondContact OH-CE2 3.27Å; M418-Y671 PolarHBondContact SD-OH 3.5Å; I669-Y671 HydrophobicContact CG2-CE2 3.98Å; Y671-A673 PolarHBondContact O-N 3.07Å; Y671-A673 VanDerWaalsContact O-N 3.1Å
672	A	30.5	Very low	32	Very low	48 Å²	48	115.4 Å²	115.4	40%	0.397	66%	0.659	S	S	.	*			trans	-74.5	92.6	175.7	0	0	0	0	0	111.1	G670 D674	G670-A672 PolarHBondContact O-N 3.05Å; A672-D674 VanDerWaalsContact C-N 3.27Å; A672-D674 PolarHBondContact O-N 3.3Å; A672-D674 VanDerWaalsContact O-N 3.09Å
673	A	29.2	Very low	31.7	Very low	62 Å²	62	117.7 Å²	117.7	51%	0.512	67%	0.666	S	S	.	*			trans	-83.4	69.8	172.3	0	0	0	0	0	110.9	Y671 K1010	Y671-A673 PolarHBondContact O-N 3.07Å; Y671-A673 VanDerWaalsContact O-N 3.1Å; A673-K1010 PolarHBondContact O-NZ 2.65Å
674	D	31	Very low	31.6	Very low	125 Å²	125	122.5 Å²	122.5	67%	0.668	68%	0.675	S	S	*	*			trans	-112.5	100.7	175.6	-118.7	-0.5	0	0	0	111.6	A672 N676	A672-D674 VanDerWaalsContact C-N 3.27Å; A672-D674 PolarHBondContact O-N 3.3Å; A672-D674 VanDerWaalsContact O-N 3.09Å; D674-N676 PolarHBondContact O-N 3.33Å; D674-N676 VanDerWaalsContact O-N 3.14Å
675	D	29.2	Very low	31.7	Very low	126 Å²	126	120.1 Å²	120.1	67%	0.674	67%	0.669	S	S	*	*			trans	-81.2	75.3	175.5	-42.6	-87.7	0	0	0	109.4	K1010	D675-K1010 IonicContact OD2-NZ 3.05Å; D675-K1010 PolarHBondContact OD2-NZ 2.97Å
676	N	33.9	Very low	32.3	Very low	142 Å²	142	125.6 Å²	125.6	76%	0.759	68%	0.676	S	S	*	*	S	Bend	trans	-173.4	132.5	160	-89.8	-35.5	0	0	0	114.1	D674	D674-N676 PolarHBondContact O-N 3.33Å; D674-N676 VanDerWaalsContact O-N 3.14Å
677	E	29.3	Very low	33.5	Very low	175 Å²	175	121 Å²	121	82%	0.818	67%	0.674	S	S	*	*			trans	46.6	79.8	143.6	-57.5	-175.5	144.6	0	0	120.4
678	L	31	Very low	35.5	Very low	165 Å²	165	119.9 Å²	119.9	86%	0.864	66%	0.661	S	S	*	*			trans	-134.9	94.4	134.4	-84.4	-175.6	0	0	0	109.6
679	N	29.2	Very low	38.2	Very low	136 Å²	136	114.7 Å²	114.7	73%	0.727	64%	0.641	S	S	*	*			trans	-103.5	73.7	-179.6	-162.9	33.3	0	0	0	110.8	A682	N679-A682 VanDerWaalsContact OD1-CB 3.31Å; N679-A682 WeakPolarHBondContact OD1-CB 3.3Å
680	M	32.2	Very low	40.6	Very low	155 Å²	155	115.4 Å²	115.4	76%	0.764	65%	0.646	S	S	*	*			trans	-137.4	120.1	168.7	-65.6	171	60.5	0	0	104.5
681	D	30.7	Very low	43.4	Very low	152 Å²	152	119.4 Å²	119.4	81%	0.813	65%	0.654	S	S	*	*	S	Bend	cis	-122.8	47.6	29.3	-53.6	-52.1	0	0	0	113.6	E683	D681-E683 PolarHBondContact O-N 3.31Å
682	A	34.3	Very low	46.2	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	66%	0.657	S	S	*	*			trans	-81.6	44.2	-175.1	0	0	0	0	0	114.9	N679	N679-A682 VanDerWaalsContact OD1-CB 3.31Å; N679-A682 WeakPolarHBondContact OD1-CB 3.3Å
683	E	30	Very low	49.1	Very low	175 Å²	175	118.6 Å²	118.6	82%	0.818	64%	0.644	S	S	*	*			trans	-82.7	147.1	168.2	-66.4	-166.9	140.6	0	0	110.8	D681	D681-E683 PolarHBondContact O-N 3.31Å
684	L	35.6	Very low	52.1	Low	168 Å²	168	116.9 Å²	116.9	88%	0.88	63%	0.626	S	S	*	*	S	Bend	trans	69.5	48.8	178.2	-63.5	138	0	0	0	117.4
685	C	38.4	Very low	55	Low	104 Å²	104	116 Å²	116	70%	0.703	62%	0.618	S	S	*	*			trans	-140.9	54.9	150.8	-97.7	0	0	0	0	112.7
686	E	45.7	Very low	58	Low	187 Å²	187	112.9 Å²	112.9	87%	0.874	60%	0.599	S	S	*	*			trans	-68.6	130.4	170.2	-64.2	-171.5	128	0	0	111.6	K688	E686-K688 PolarHBondContact O-N 3.41Å
687	G	55.3	Low	60.9	Low	76 Å²	76	106.1 Å²	106.1	78%	0.784	56%	0.563	S	S	*	*			trans	73.4	-4.9	145.2	0	0	0	0	0	121	T689	G687-T689 PolarHBondContact O-N 2.97Å
688	K	76.1	Confident	64	Low	76 Å²	76	100.2 Å²	100.2	33%	0.33	54%	0.535	S	S	.	.			trans	-54.7	124.5	-173.5	-72.5	-165.3	179.9	-171.8	0	114.6	E686 W693 E696	E686-K688 PolarHBondContact O-N 3.41Å; K688-W693 HydrophobicContact CD-CZ2 4.24Å; K688-E696 VanDerWaalsContact NZ-CD 3.32Å; K688-E696 IonicContact NZ-OE1 2.67Å; K688-E696 PolarHBondContact NZ-OE1 3.02Å; K688-E696 IonicContact NZ-OE2 3.41Å; K688-E696 PolarHBondContact NZ-OE2 3.38Å
689	T	86.4	Confident	67	Low	62 Å²	62	95.3 Å²	95.3	38%	0.38	52%	0.518	S	S	.	.			trans	-71.4	160.5	175.9	62.4	0	0	0	0	112.2	G687 E691 E692 W693	G687-T689 PolarHBondContact O-N 2.97Å; T689-E691 WeakPolarHBondContact CB-OE2 3.5Å; T689-E691 PolarHBondContact O-N 2.87Å; T689-E692 WeakPolarHBondContact CB-OE2 3.46Å; T689-E692 WeakPolarHBondContact CG2-OE2 3.43Å; T689-E692 PolarHBondContact N-OE2 2.9Å; T689-E692 PolarHBondContact O-N 3.36Å; T689-E692 VanDerWaalsContact OG1-CD 3.32Å; T689-E692 VanDerWaalsContact OG1-CG 3.27Å; T689-E692 WeakPolarHBondContact OG1-CG 3.37Å; T689-E692 PolarHBondContact OG1-N 3.44Å; T689-E692 PolarHBondContact OG1-OE2 3.35Å; T689-W693 PolarHBondContact O-N 2.71Å; T689-W693 VanDerWaalsContact O-N 3.16Å
690	N	84.6	Confident	70.1	Confident	79 Å²	79	90.1 Å²	90.1	42%	0.422	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-33	176.3	-70.3	-76.6	0	0	0	111.1	W500 W693 I694	W500-N690 PolarHBondContact NE1-OD1 3.05Å; N690-W693 PolarHBondContact O-N 3.05Å; N690-I694 WeakPolarHBondContact O-CB 3.18Å; N690-I694 WeakPolarHBondContact O-CD1 3.3Å; N690-I694 WeakPolarHBondContact O-CG1 3.33Å; N690-I694 PolarHBondContact O-N 2.86Å
691	E	87.8	Confident	73	Confident	125 Å²	125	82.7 Å²	82.7	58%	0.584	45%	0.454	S	S	*	.	H	α-helix	trans	-63.8	-47.5	179.8	-65.6	65.4	-152.2	0	0	110.6	T689 I694 E695	T689-E691 WeakPolarHBondContact CB-OE2 3.5Å; T689-E691 PolarHBondContact O-N 2.87Å; E691-I694 PolarHBondContact O-N 3.34Å; E691-E695 PolarHBondContact O-N 2.82Å
692	E	90.8	Very high	76	Confident	97 Å²	97	78.5 Å²	78.5	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-40.7	173.7	-71.8	162.4	122.7	0	0	112.3	T689 E696	T689-E692 WeakPolarHBondContact CB-OE2 3.46Å; T689-E692 WeakPolarHBondContact CG2-OE2 3.43Å; T689-E692 PolarHBondContact N-OE2 2.9Å; T689-E692 PolarHBondContact O-N 3.36Å; T689-E692 VanDerWaalsContact OG1-CD 3.32Å; T689-E692 VanDerWaalsContact OG1-CG 3.27Å; T689-E692 WeakPolarHBondContact OG1-CG 3.37Å; T689-E692 PolarHBondContact OG1-N 3.44Å; T689-E692 PolarHBondContact OG1-OE2 3.35Å; E692-E696 WeakPolarHBondContact O-CB 3.3Å; E692-E696 WeakPolarHBondContact O-CG 3.49Å; E692-E696 PolarHBondContact O-N 3.05Å
693	W	91.2	Very high	78.8	Confident	35 Å²	35	79.1 Å²	79.1	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-61.8	-43.9	174.1	-80.1	111.2	0	0	0	112.6	W500 E501 K504 K688 T689 N690 I697	W500-W693 HydrophobicContact CB-CB 3.71Å; W500-W693 HydrophobicContact CB-CD2 3.66Å; W500-W693 HydrophobicContact CB-CE3 3.65Å; W500-W693 HydrophobicContact CB-CG 3.66Å; W500-W693 HydrophobicContact CB-CZ3 4.49Å; W500-W693 AromaticContact CD1-CD1 3.99Å; W500-W693 AromaticContact CD1-CG 3.83Å; W500-W693 HydrophobicContact CD2-CB 4.29Å; W500-W693 HydrophobicContact CG-CB 3.63Å; W500-W693 HydrophobicContact CG-CD2 4.43Å; W500-W693 AromaticContact CG-CG 3.93Å; W500-W693 HydrophobicContact CG-CG 3.93Å; E501-W693 HydrophobicContact CB-CH2 4.22Å; E501-W693 HydrophobicContact CB-CZ3 4.37Å; E501-W693 VanDerWaalsContact OE2-CH2 3.22Å; E501-W693 WeakPolarHBondContact OE2-CH2 3.44Å; E501-W693 WeakPolarHBondContact OE2-CZ3 3.45Å; K504-W693 HydrophobicContact CB-CZ3 4.13Å; K504-W693 HydrophobicContact CD-CE3 4.27Å; K504-W693 HydrophobicContact CD-CH2 4.43Å; K504-W693 HydrophobicContact CD-CZ3 3.57Å; K504-W693 HydrophobicContact CG-CZ3 4.5Å; K688-W693 HydrophobicContact CD-CZ2 4.24Å; T689-W693 PolarHBondContact O-N 2.71Å; T689-W693 VanDerWaalsContact O-N 3.16Å; N690-W693 PolarHBondContact O-N 3.05Å; W693-I697 WeakPolarHBondContact O-CB 3.39Å; W693-I697 WeakPolarHBondContact O-CD1 3.26Å; W693-I697 WeakPolarHBondContact O-CG1 3.44Å; W693-I697 PolarHBondContact O-N 2.98Å
694	I	90.7	Very high	81.7	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.128	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-46.8	178.9	-77.5	165.2	0	0	0	110.5	W500 P538 N690 E691 I697 K698	W500-I694 HydrophobicContact CH2-CD1 4.08Å; W500-I694 HydrophobicContact CH2-CG1 3.75Å; W500-I694 HydrophobicContact CZ2-CD1 3.89Å; W500-I694 HydrophobicContact CZ2-CG1 3.81Å; W500-I694 HydrophobicContact CZ3-CG1 4.23Å; P538-I694 HydrophobicContact CB-CG1 4.49Å; P538-I694 HydrophobicContact CG-CG2 4.07Å; N690-I694 WeakPolarHBondContact O-CB 3.18Å; N690-I694 WeakPolarHBondContact O-CD1 3.3Å; N690-I694 WeakPolarHBondContact O-CG1 3.33Å; N690-I694 PolarHBondContact O-N 2.86Å; E691-I694 PolarHBondContact O-N 3.34Å; I694-I697 PolarHBondContact O-N 3.19Å; I694-K698 HydrophobicContact CG2-CD 4.32Å; I694-K698 WeakPolarHBondContact O-CG 3.33Å; I694-K698 PolarHBondContact O-N 3.3Å
695	E	92.1	Very high	84.2	Confident	107 Å²	107	64.4 Å²	64.4	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-70.7	-36.1	179.3	-64.3	-51.5	127.8	0	0	112.9	E691 I697 K698 A699	E691-E695 PolarHBondContact O-N 2.82Å; E695-I697 VanDerWaalsContact C-N 3.35Å; E695-I697 PolarHBondContact O-N 3.07Å; E695-K698 PolarHBondContact O-N 3.32Å; E695-K698 IonicContact OE1-NZ 3.47Å; E695-K698 PolarHBondContact OE1-NZ 2.76Å; E695-K698 IonicContact OE2-NZ 2.81Å; E695-A699 VanDerWaalsContact O-CB 3.27Å; E695-A699 WeakPolarHBondContact O-CB 3.49Å; E695-A699 PolarHBondContact O-N 2.64Å
696	E	93.1	Very high	86.7	Confident	61 Å²	61	64.5 Å²	64.5	29%	0.285	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-41.1	171.5	-81.2	-174.8	-162.7	0	0	112.2	K504 K688 E692 L700	K504-E696 WeakPolarHBondContact CE-OE2 3.12Å; K504-E696 IonicContact NZ-OE2 2.67Å; K504-E696 PolarHBondContact NZ-OE2 3.47Å; K688-E696 VanDerWaalsContact NZ-CD 3.32Å; K688-E696 IonicContact NZ-OE1 2.67Å; K688-E696 PolarHBondContact NZ-OE1 3.02Å; K688-E696 IonicContact NZ-OE2 3.41Å; K688-E696 PolarHBondContact NZ-OE2 3.38Å; E692-E696 WeakPolarHBondContact O-CB 3.3Å; E692-E696 WeakPolarHBondContact O-CG 3.49Å; E692-E696 PolarHBondContact O-N 3.05Å; E696-L700 WeakPolarHBondContact O-CB 3.46Å; E696-L700 WeakPolarHBondContact O-CG 2.96Å; E696-L700 PolarHBondContact O-N 2.93Å
697	I	93.5	Very high	88.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-44	178.3	-70.2	165.2	0	0	0	110.9	W500 K503 K504 L507 W534 P538 W693 I694 E695 A701	W500-I697 HydrophobicContact CB-CD1 4.05Å; W500-I697 HydrophobicContact CD2-CD1 4.31Å; W500-I697 HydrophobicContact CE3-CD1 3.61Å; W500-I697 HydrophobicContact CZ3-CD1 4.43Å; K503-I697 HydrophobicContact CB-CD1 3.93Å; K504-I697 HydrophobicContact CB-CG1 4.35Å; L507-I697 HydrophobicContact CD1-CG2 3.86Å; L507-I697 WeakPolarHBondContact CD1-O 3.22Å; W534-I697 HydrophobicContact CB-CG2 4.44Å; W534-I697 HydrophobicContact CE3-CG2 4.26Å; P538-I697 HydrophobicContact CB-CB 4.37Å; P538-I697 HydrophobicContact CB-CG2 3.87Å; P538-I697 HydrophobicContact CG-CB 4.29Å; P538-I697 HydrophobicContact CG-CG2 3.95Å; W693-I697 WeakPolarHBondContact O-CB 3.39Å; W693-I697 WeakPolarHBondContact O-CD1 3.26Å; W693-I697 WeakPolarHBondContact O-CG1 3.44Å; W693-I697 PolarHBondContact O-N 2.98Å; I694-I697 PolarHBondContact O-N 3.19Å; E695-I697 VanDerWaalsContact C-N 3.35Å; E695-I697 PolarHBondContact O-N 3.07Å; I697-A701 VanDerWaalsContact O-CB 3.3Å; I697-A701 WeakPolarHBondContact O-CB 3.49Å; I697-A701 PolarHBondContact O-N 2.81Å
698	K	94.7	Very high	90.3	Very high	51 Å²	51	56 Å²	56	22%	0.222	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-47.4	173.9	-73	175.5	-175.3	168.4	0	111.6	P538 I694 E695 L700 A701 C702	P538-K698 HydrophobicContact CG-CG 3.76Å; I694-K698 HydrophobicContact CG2-CD 4.32Å; I694-K698 WeakPolarHBondContact O-CG 3.33Å; I694-K698 PolarHBondContact O-N 3.3Å; E695-K698 PolarHBondContact O-N 3.32Å; E695-K698 IonicContact OE1-NZ 3.47Å; E695-K698 PolarHBondContact OE1-NZ 2.76Å; E695-K698 IonicContact OE2-NZ 2.81Å; K698-L700 PolarHBondContact O-N 3.22Å; K698-A701 PolarHBondContact O-N 2.86Å; K698-C702 WeakPolarHBondContact O-CB 3.27Å; K698-C702 PolarHBondContact O-N 2.94Å; K698-C702 PolarHBondContact O-SG 3.13Å; K698-C702 VanDerWaalsContact O-SG 3.34Å
699	A	94.6	Very high	90.7	Very high	62 Å²	62	55.8 Å²	55.8	51%	0.512	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-46.3	-178.6	0	0	0	0	0	111.9	E695 C702 E703	E695-A699 VanDerWaalsContact O-CB 3.27Å; E695-A699 WeakPolarHBondContact O-CB 3.49Å; E695-A699 PolarHBondContact O-N 2.64Å; A699-C702 PolarHBondContact O-N 2.76Å; A699-E703 WeakPolarHBondContact O-CB 3.43Å; A699-E703 PolarHBondContact O-N 2.67Å
700	L	94	Very high	90.6	Very high	26 Å²	26	59.8 Å²	59.8	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-39.5	175.6	-73.3	169.4	0	0	0	112.4	K504 L507 V508 K511 E696 K698 L704	K504-L700 HydrophobicContact CG-CD1 3.95Å; L507-L700 HydrophobicContact CB-CB 4.13Å; L507-L700 HydrophobicContact CB-CD1 4.49Å; L507-L700 HydrophobicContact CD1-CB 3.88Å; V508-L700 HydrophobicContact CG2-CD1 4.16Å; K511-L700 HydrophobicContact CD-CD2 4.36Å; E696-L700 WeakPolarHBondContact O-CB 3.46Å; E696-L700 WeakPolarHBondContact O-CG 2.96Å; E696-L700 PolarHBondContact O-N 2.93Å; K698-L700 PolarHBondContact O-N 3.22Å; L700-L704 WeakPolarHBondContact O-CB 3.49Å; L700-L704 VanDerWaalsContact O-CG 3.32Å; L700-L704 WeakPolarHBondContact O-CG 3.35Å; L700-L704 PolarHBondContact O-N 3.41Å
701	A	93.5	Very high	90.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-40.9	176.5	0	0	0	0	0	112.1	L507 V531 W534 T535 I697 K698 L704 L705	L507-A701 HydrophobicContact CD1-CB 4.13Å; V531-A701 HydrophobicContact CG1-CB 3.79Å; W534-A701 HydrophobicContact CB-CB 4.37Å; T535-A701 HydrophobicContact CG2-CB 3.58Å; I697-A701 VanDerWaalsContact O-CB 3.3Å; I697-A701 WeakPolarHBondContact O-CB 3.49Å; I697-A701 PolarHBondContact O-N 2.81Å; K698-A701 PolarHBondContact O-N 2.86Å; A701-L704 PolarHBondContact O-N 3.44Å; A701-L705 WeakPolarHBondContact O-CG 3.4Å; A701-L705 PolarHBondContact O-N 2.94Å; A701-L705 VanDerWaalsContact O-N 3.09Å
702	C	93.5	Very high	90.2	Very high	64 Å²	64	54.5 Å²	54.5	43%	0.432	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-47.8	175.1	-75.3	0	0	0	0	111.4	T535 K698 A699 L704 L705 E706	T535-C702 HydrophobicContact CG2-CB 4.29Å; T535-C702 WeakPolarHBondContact CG2-SG 3.07Å; K698-C702 WeakPolarHBondContact O-CB 3.27Å; K698-C702 PolarHBondContact O-N 2.94Å; K698-C702 PolarHBondContact O-SG 3.13Å; K698-C702 VanDerWaalsContact O-SG 3.34Å; A699-C702 PolarHBondContact O-N 2.76Å; C702-L704 VanDerWaalsContact C-N 3.31Å; C702-L704 PolarHBondContact O-N 3.28Å; C702-L705 PolarHBondContact O-N 3.16Å; C702-E706 WeakPolarHBondContact O-CB 3.49Å; C702-E706 PolarHBondContact O-N 2.93Å
703	E	93.5	Very high	89	Confident	81 Å²	81	58 Å²	58	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-40.6	178	-171.4	-169	178.3	0	0	111.8	K511 A699 E706 K707	K511-E703 WeakPolarHBondContact CE-OE1 3.41Å; K511-E703 WeakPolarHBondContact CE-OE2 3.41Å; K511-E703 IonicContact NZ-OE1 3.64Å; K511-E703 PolarHBondContact NZ-OE1 2.78Å; K511-E703 IonicContact NZ-OE2 3.63Å; K511-E703 PolarHBondContact NZ-OE2 3.22Å; A699-E703 WeakPolarHBondContact O-CB 3.43Å; A699-E703 PolarHBondContact O-N 2.67Å; E703-E706 PolarHBondContact O-N 3.24Å; E703-K707 VanDerWaalsContact O-CB 3.22Å; E703-K707 WeakPolarHBondContact O-CB 3.26Å; E703-K707 PolarHBondContact O-N 2.78Å
704	L	91.6	Very high	87.5	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-45.6	175.9	-80.1	168.1	0	0	0	112.5	L507 L510 K511 V531 L700 A701 C702 K707 W708	L507-L704 HydrophobicContact CB-CD1 4.09Å; L507-L704 HydrophobicContact CD2-CD1 3.8Å; L507-L704 HydrophobicContact CG-CD1 4.48Å; L510-L704 HydrophobicContact CB-CD1 4.13Å; L510-L704 HydrophobicContact CB-CD2 4.3Å; K511-L704 HydrophobicContact CB-CD2 4.04Å; V531-L704 HydrophobicContact CG1-CB 4.27Å; L700-L704 WeakPolarHBondContact O-CB 3.49Å; L700-L704 VanDerWaalsContact O-CG 3.32Å; L700-L704 WeakPolarHBondContact O-CG 3.35Å; L700-L704 PolarHBondContact O-N 3.41Å; A701-L704 PolarHBondContact O-N 3.44Å; C702-L704 VanDerWaalsContact C-N 3.31Å; C702-L704 PolarHBondContact O-N 3.28Å; L704-K707 PolarHBondContact O-N 3.49Å; L704-W708 HydrophobicContact CB-CE3 4.39Å; L704-W708 HydrophobicContact CB-CZ3 4.37Å; L704-W708 HydrophobicContact CD2-CH2 4.32Å; L704-W708 HydrophobicContact CD2-CZ2 3.96Å; L704-W708 WeakPolarHBondContact O-CB 3.43Å; L704-W708 VanDerWaalsContact O-CG 3.28Å; L704-W708 PolarHBondContact O-N 2.94Å
705	L	88	Confident	85.4	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-36.5	178.3	-66.3	169.7	0	0	0	112	M528 V531 A532 T535 A701 C702 S709	M528-L705 HydrophobicContact CE-CD2 3.57Å; M528-L705 HydrophobicContact SD-CD2 4.36Å; V531-L705 HydrophobicContact CB-CD2 4.32Å; V531-L705 HydrophobicContact CG1-CD1 4.16Å; V531-L705 HydrophobicContact CG1-CD2 4.08Å; V531-L705 HydrophobicContact CG1-CG 3.81Å; A532-L705 HydrophobicContact CB-CD1 3.98Å; T535-L705 HydrophobicContact CG2-CD1 3.64Å; A701-L705 WeakPolarHBondContact O-CG 3.4Å; A701-L705 PolarHBondContact O-N 2.94Å; A701-L705 VanDerWaalsContact O-N 3.09Å; C702-L705 PolarHBondContact O-N 3.16Å; L705-S709 WeakPolarHBondContact O-CB 3.44Å; L705-S709 PolarHBondContact O-N 3.48Å; L705-S709 PolarHBondContact O-OG 2.9Å
706	E	89.7	Confident	83.3	Confident	107 Å²	107	66.7 Å²	66.7	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-42.7	173.4	-167.1	-176.4	176.1	0	0	111.3	C702 E703 S709 K710	C702-E706 WeakPolarHBondContact O-CB 3.49Å; C702-E706 PolarHBondContact O-N 2.93Å; E703-E706 PolarHBondContact O-N 3.24Å; E706-S709 PolarHBondContact O-OG 3.03Å; E706-K710 HydrophobicContact CG-CD 4.37Å; E706-K710 WeakPolarHBondContact O-CD 3.48Å; E706-K710 VanDerWaalsContact O-CG 3.3Å; E706-K710 WeakPolarHBondContact O-CG 3.5Å; E706-K710 PolarHBondContact O-N 2.73Å; E706-K710 WeakPolarHBondContact OE1-CE 3.35Å; E706-K710 IonicContact OE1-NZ 3.24Å; E706-K710 PolarHBondContact OE1-NZ 3Å
707	K	89.5	Confident	81.3	Confident	84 Å²	84	69 Å²	69	37%	0.365	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-47.9	174	-178.2	-177.9	179	-175.1	0	111.3	K511 E703 L704	K511-K707 PolarHBondContact O-NZ 2.89Å; E703-K707 VanDerWaalsContact O-CB 3.22Å; E703-K707 WeakPolarHBondContact O-CB 3.26Å; E703-K707 PolarHBondContact O-N 2.78Å; L704-K707 PolarHBondContact O-N 3.49Å
708	W	87.7	Confident	79.4	Confident	1 Å²	1	74 Å²	74	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-76.4	-31.3	-176.5	-68.5	-26.2	0	0	0	114.2	L510 V521 L527 M528 V531 L704 K710 L711	L510-W708 HydrophobicContact CB-CH2 4.33Å; L510-W708 HydrophobicContact CB-CZ2 4.33Å; L510-W708 HydrophobicContact CD1-CH2 4.39Å; V521-W708 HydrophobicContact CG1-CD2 4.45Å; V521-W708 HydrophobicContact CG1-CE3 4.26Å; V521-W708 HydrophobicContact CG1-CH2 4.21Å; V521-W708 HydrophobicContact CG1-CZ2 4.41Å; V521-W708 HydrophobicContact CG1-CZ3 4.13Å; V521-W708 HydrophobicContact CG2-CD2 4.14Å; V521-W708 HydrophobicContact CG2-CG 4.23Å; L527-W708 HydrophobicContact CD2-CH2 3.7Å; L527-W708 HydrophobicContact CD2-CZ2 4.42Å; L527-W708 HydrophobicContact CD2-CZ3 4.35Å; L527-W708 HydrophobicContact CG-CH2 4.34Å; M528-W708 HydrophobicContact CE-CE3 4.42Å; M528-W708 HydrophobicContact SD-CB 4.41Å; M528-W708 HydrophobicContact SD-CD2 4.22Å; M528-W708 HydrophobicContact SD-CE3 3.44Å; M528-W708 HydrophobicContact SD-CZ3 4Å; V531-W708 HydrophobicContact CG2-CZ3 4.13Å; L704-W708 HydrophobicContact CB-CE3 4.39Å; L704-W708 HydrophobicContact CB-CZ3 4.37Å; L704-W708 HydrophobicContact CD2-CH2 4.32Å; L704-W708 HydrophobicContact CD2-CZ2 3.96Å; L704-W708 WeakPolarHBondContact O-CB 3.43Å; L704-W708 VanDerWaalsContact O-CG 3.28Å; L704-W708 PolarHBondContact O-N 2.94Å; W708-K710 VanDerWaalsContact C-N 3.3Å; W708-K710 PolarHBondContact O-N 3.27Å; W708-L711 WeakPolarHBondContact O-CB 3.23Å; W708-L711 PolarHBondContact O-N 3.44Å
709	S	83.9	Confident	77.5	Confident	70 Å²	70	75.7 Å²	75.7	49%	0.49	38%	0.384	S	S	.	.	H	α-helix	trans	-71.6	-23.5	175.8	56.2	0	0	0	0	113.5	L705 E706	L705-S709 WeakPolarHBondContact O-CB 3.44Å; L705-S709 PolarHBondContact O-N 3.48Å; L705-S709 PolarHBondContact O-OG 2.9Å; E706-S709 PolarHBondContact O-OG 3.03Å
710	K	85.3	Confident	75.6	Confident	147 Å²	147	75 Å²	75	64%	0.639	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.5	172.5	-68.6	172.9	-174.4	174.4	0	114.2	E706 W708	E706-K710 HydrophobicContact CG-CD 4.37Å; E706-K710 WeakPolarHBondContact O-CD 3.48Å; E706-K710 VanDerWaalsContact O-CG 3.3Å; E706-K710 WeakPolarHBondContact O-CG 3.5Å; E706-K710 PolarHBondContact O-N 2.73Å; E706-K710 WeakPolarHBondContact OE1-CE 3.35Å; E706-K710 IonicContact OE1-NZ 3.24Å; E706-K710 PolarHBondContact OE1-NZ 3Å; W708-K710 VanDerWaalsContact C-N 3.3Å; W708-K710 PolarHBondContact O-N 3.27Å
711	L	84.2	Confident	74	Confident	33 Å²	33	77 Å²	77	17%	0.173	38%	0.379	C	S	.	.	S	Bend	trans	-70.5	148.6	176.6	-68.5	179.8	0	0	0	111.5	V515 Q518 W708 K713	V515-L711 HydrophobicContact CB-CD1 4.08Å; V515-L711 HydrophobicContact CG1-CD1 3.55Å; Q518-L711 HydrophobicContact CB-CB 4.45Å; W708-L711 WeakPolarHBondContact O-CB 3.23Å; W708-L711 PolarHBondContact O-N 3.44Å; L711-K713 PolarHBondContact O-N 3.27Å
712	P	78.5	Confident	72.6	Confident	59 Å²	59	77.8 Å²	77.8	38%	0.383	38%	0.382	S	S	.	.			trans	-60.3	132.2	177.2	24.9	-34.5	0	0	0	111.7	S516 Q518 E714	S516-P712 WeakPolarHBondContact O-CD 3.25Å; S516-P712 WeakPolarHBondContact O-CG 3.35Å; Q518-P712 PolarHBondContact N-O 3.38Å; P712-E714 VanDerWaalsContact C-N 3.29Å; P712-E714 PolarHBondContact O-N 3.15Å
713	K	65.9	Low	71.2	Confident	172 Å²	172	75.6 Å²	75.6	75%	0.748	37%	0.365	S	S	*	.	S	Bend	trans	-77.8	81.4	168.1	-69.8	179	178.9	177.6	0	109.3	L711	L711-K713 PolarHBondContact O-N 3.27Å
714	E	59.4	Low	69.8	Low	85 Å²	85	73.2 Å²	73.2	40%	0.397	35%	0.354	S	S	.	.			trans	52.7	86.5	171.5	-170.6	157.4	-144.5	0	0	116.4	K519 P712	K519-E714 WeakPolarHBondContact CD-OE1 3.29Å; K519-E714 VanDerWaalsContact CD-OE2 3.3Å; K519-E714 WeakPolarHBondContact CD-OE2 3.26Å; K519-E714 IonicContact NZ-OE1 2.68Å; K519-E714 PolarHBondContact NZ-OE1 3.43Å; K519-E714 IonicContact NZ-OE2 3.45Å; K519-E714 PolarHBondContact NZ-OE2 3.2Å; P712-E714 VanDerWaalsContact C-N 3.29Å; P712-E714 PolarHBondContact O-N 3.15Å
715	N	47.9	Very low	68.7	Low	133 Å²	133	77.8 Å²	77.8	71%	0.711	38%	0.375	S	S	*	.			trans	-79.5	123.8	149.6	-82.2	-43.9	0	0	0	108.1	R717	N715-R717 PolarHBondContact O-N 3.25Å
716	Y	47	Very low	67.7	Low	130 Å²	130	76.6 Å²	76.6	51%	0.51	37%	0.369	S	S	.	.			trans	-43.2	108.7	-173.6	-106.7	-88.8	0	0	0	114	F805 V809	Y716-F805 AromaticContact CD1-CE1 3.63Å; Y716-F805 HydrophobicContact CD1-CE1 3.63Å; Y716-F805 HydrophobicContact CD1-CZ 4.07Å; Y716-F805 AromaticContact CE1-CE1 3.75Å; Y716-F805 HydrophobicContact CE1-CE1 3.75Å; Y716-F805 AromaticContact CE1-CZ 3.71Å; Y716-F805 HydrophobicContact CE1-CZ 3.71Å; Y716-F805 HydrophobicContact CG-CE1 4.11Å; Y716-V809 HydrophobicContact CD2-CG1 3.97Å; Y716-V809 HydrophobicContact CD2-CG2 4.1Å; Y716-V809 HydrophobicContact CE2-CB 4.32Å; Y716-V809 HydrophobicContact CE2-CG1 3.63Å; Y716-V809 HydrophobicContact CE2-CG2 3.65Å
717	R	51.8	Low	66.6	Low	111 Å²	111	72.5 Å²	72.5	42%	0.419	35%	0.35	S	S	.	.			trans	-134.5	141.3	177.6	-163	177.3	-169	-179.6	-4	109.7	S516 E517 N715 P719 E722	S516-R717 PolarHBondContact OG-NH1 3Å; E517-R717 WeakPolarHBondContact OE1-CD 3.5Å; E517-R717 IonicContact OE1-NH1 3.56Å; E517-R717 PolarHBondContact OE1-NH1 2.88Å; N715-R717 PolarHBondContact O-N 3.25Å; R717-P719 WeakPolarHBondContact O-CD 3.46Å; R717-E722 IonicContact CZ-OE2 3.22Å; R717-E722 IonicContact NE-OE2 2.78Å; R717-E722 PolarHBondContact NE-OE2 2.93Å; R717-E722 IonicContact NH1-OE2 3.78Å; R717-E722 PolarHBondContact NH1-OE2 2.9Å; R717-E722 IonicContact NH2-OE2 3.96Å; R717-E722 PolarHBondContact NH2-OE2 3.39Å
718	I	52.6	Low	65.5	Low	105 Å²	105	74.3 Å²	74.3	54%	0.538	36%	0.358	S	S	.	.			trans	-96.1	106.6	-177	-58.8	173.9	0	0	0	108.4	R720 L721 E722	I718-R720 VanDerWaalsContact C-N 3.25Å; I718-R720 HydrophobicContact CG2-CB 4.47Å; I718-R720 PolarHBondContact O-N 3.41Å; I718-L721 HydrophobicContact CB-CB 4.41Å; I718-L721 HydrophobicContact CB-CD1 4.1Å; I718-L721 HydrophobicContact CB-CG 4.15Å; I718-L721 HydrophobicContact CD1-CD1 4.01Å; I718-L721 HydrophobicContact CG2-CD1 4.38Å; I718-L721 HydrophobicContact CG2-CG 4.03Å; I718-L721 PolarHBondContact O-N 2.93Å; I718-E722 PolarHBondContact O-N 2.99Å
719	P	55.1	Low	64.6	Low	85 Å²	85	80.8 Å²	80.8	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-62.3	-32.2	-169.9	-24.7	35.8	0	0	0	113.5	R717 L721 E722 R723	R717-P719 WeakPolarHBondContact O-CD 3.46Å; P719-L721 VanDerWaalsContact C-N 3.31Å; P719-L721 PolarHBondContact O-N 3.43Å; P719-E722 PolarHBondContact O-N 3.45Å; P719-R723 PolarHBondContact O-N 2.73Å
720	R	54.7	Low	63.7	Low	49 Å²	49	78.5 Å²	78.5	19%	0.185	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-33.4	175.1	-177.3	176	174.9	88.9	-1.3	113.1	I718 Q724	I718-R720 VanDerWaalsContact C-N 3.25Å; I718-R720 HydrophobicContact CG2-CB 4.47Å; I718-R720 PolarHBondContact O-N 3.41Å; R720-Q724 WeakPolarHBondContact O-CB 3.41Å; R720-Q724 VanDerWaalsContact O-CG 3.27Å; R720-Q724 WeakPolarHBondContact O-CG 3.21Å; R720-Q724 PolarHBondContact O-N 3.13Å
721	L	60.3	Low	62.4	Low	68 Å²	68	79.6 Å²	79.6	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-71.8	-43.3	175.5	-69.7	-179.2	0	0	0	110.7	I718 P719 R723 Q724 E725	I718-L721 HydrophobicContact CB-CB 4.41Å; I718-L721 HydrophobicContact CB-CD1 4.1Å; I718-L721 HydrophobicContact CB-CG 4.15Å; I718-L721 HydrophobicContact CD1-CD1 4.01Å; I718-L721 HydrophobicContact CG2-CD1 4.38Å; I718-L721 HydrophobicContact CG2-CG 4.03Å; I718-L721 PolarHBondContact O-N 2.93Å; P719-L721 VanDerWaalsContact C-N 3.31Å; P719-L721 PolarHBondContact O-N 3.43Å; L721-R723 VanDerWaalsContact C-N 3.34Å; L721-R723 PolarHBondContact O-N 2.92Å; L721-Q724 CarbonylContact O-C 3.57Å; L721-Q724 PolarHBondContact O-N 3.45Å; L721-E725 WeakPolarHBondContact O-CB 3.14Å; L721-E725 VanDerWaalsContact O-CG 3.26Å; L721-E725 WeakPolarHBondContact O-CG 3.32Å; L721-E725 PolarHBondContact O-N 3.23Å
722	E	65.2	Low	60.8	Low	15 Å²	15	80.8 Å²	80.8	7%	0.07	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.5	-169.9	-176.5	146.8	0	0	111.7	R480 R717 I718 P719 E725 T726	R480-E722 IonicContact CZ-OE1 2.99Å; R480-E722 IonicContact NH1-OE1 2.64Å; R480-E722 IonicContact NH2-OE1 3.14Å; R480-E722 PolarHBondContact NH2-OE1 3.09Å; R480-E722 IonicContact NH2-OE2 3.37Å; R717-E722 IonicContact CZ-OE2 3.22Å; R717-E722 IonicContact NE-OE2 2.78Å; R717-E722 PolarHBondContact NE-OE2 2.93Å; R717-E722 IonicContact NH1-OE2 3.78Å; R717-E722 PolarHBondContact NH1-OE2 2.9Å; R717-E722 IonicContact NH2-OE2 3.96Å; R717-E722 PolarHBondContact NH2-OE2 3.39Å; I718-E722 PolarHBondContact O-N 2.99Å; P719-E722 PolarHBondContact O-N 3.45Å; E722-E725 PolarHBondContact O-N 2.91Å; E722-T726 WeakPolarHBondContact O-CB 3.11Å; E722-T726 PolarHBondContact O-N 2.67Å; E722-T726 PolarHBondContact O-OG1 3.35Å
723	R	62.7	Low	59	Low	18 Å²	18	83.3 Å²	83.3	7%	0.068	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-51.3	171.8	-176.8	-174.2	-76.2	142.2	-1.5	111.5	D215 L478 Q481 Y482 P719 L721 E725 T726 E727	D215-R723 IonicContact OD2-CZ 3.66Å; D215-R723 IonicContact OD2-NH1 3.48Å; D215-R723 PolarHBondContact OD2-NH1 3.36Å; D215-R723 IonicContact OD2-NH2 3.7Å; D215-R723 PolarHBondContact OD2-NH2 3.18Å; L478-R723 HydrophobicContact CD2-CG 4.45Å; Q481-R723 PolarHBondContact O-NH2 2.9Å; Q481-R723 VanDerWaalsContact OE1-CA 3.26Å; Y482-R723 HydrophobicContact CE1-CG 4.44Å; P719-R723 PolarHBondContact O-N 2.73Å; L721-R723 VanDerWaalsContact C-N 3.34Å; L721-R723 PolarHBondContact O-N 2.92Å; R723-E725 PolarHBondContact O-N 2.74Å; R723-T726 CarbonylContact O-C 3.42Å; R723-T726 WeakPolarHBondContact O-CA 3.48Å; R723-T726 WeakPolarHBondContact O-CB 3.34Å; R723-T726 PolarHBondContact O-N 3.01Å; R723-E727 VanDerWaalsContact CD-OE1 3.31Å; R723-E727 WeakPolarHBondContact CD-OE1 3.23Å; R723-E727 HydrophobicContact CG-CG 4.02Å; R723-E727 WeakPolarHBondContact CG-OE1 3.47Å; R723-E727 WeakPolarHBondContact O-CB 3.41Å; R723-E727 WeakPolarHBondContact O-CG 3.33Å; R723-E727 PolarHBondContact O-N 3.45Å
724	Q	64.6	Low	57.7	Low	32 Å²	32	78.5 Å²	78.5	15%	0.15	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-25.4	179.9	-76	-175.9	-22.4	0	0	113.8	R720 L721 K728	R720-Q724 WeakPolarHBondContact O-CB 3.41Å; R720-Q724 VanDerWaalsContact O-CG 3.27Å; R720-Q724 WeakPolarHBondContact O-CG 3.21Å; R720-Q724 PolarHBondContact O-N 3.13Å; L721-Q724 CarbonylContact O-C 3.57Å; L721-Q724 PolarHBondContact O-N 3.45Å; Q724-K728 WeakPolarHBondContact O-CD 3.24Å; Q724-K728 WeakPolarHBondContact O-CE 3.25Å; Q724-K728 WeakPolarHBondContact O-CG 3.38Å; Q724-K728 PolarHBondContact O-N 2.91Å
725	E	68.5	Low	56.6	Low	98 Å²	98	80 Å²	80	46%	0.458	40%	0.404	S	S	.	.	H	α-helix	trans	-75.7	-42.6	171.6	-73.8	164.3	-178.7	0	0	110.6	L721 E722 R723 K728 M729	L721-E725 WeakPolarHBondContact O-CB 3.14Å; L721-E725 VanDerWaalsContact O-CG 3.26Å; L721-E725 WeakPolarHBondContact O-CG 3.32Å; L721-E725 PolarHBondContact O-N 3.23Å; E722-E725 PolarHBondContact O-N 2.91Å; R723-E725 PolarHBondContact O-N 2.74Å; E725-K728 PolarHBondContact O-N 3.39Å; E725-M729 WeakPolarHBondContact O-CG 3.46Å; E725-M729 PolarHBondContact O-N 3.05Å
726	T	67.2	Low	55.7	Low	7 Å²	7	79.4 Å²	79.4	4%	0.043	40%	0.4	C	S	.	.	H	α-helix	trans	-62.5	-45.4	175	-49.5	0	0	0	0	111.9	A474 K477 L478 Q481 E722 R723 K728 M729 L730	A474-T726 HydrophobicContact CB-CG2 3.86Å; A474-T726 VanDerWaalsContact O-CG2 3.25Å; A474-T726 WeakPolarHBondContact O-CG2 3.28Å; K477-T726 HydrophobicContact CB-CG2 4.02Å; L478-T726 HydrophobicContact CD2-CG2 3.77Å; L478-T726 HydrophobicContact CG-CG2 3.87Å; Q481-T726 PolarHBondContact NE2-OG1 3.39Å; E722-T726 WeakPolarHBondContact O-CB 3.11Å; E722-T726 PolarHBondContact O-N 2.67Å; E722-T726 PolarHBondContact O-OG1 3.35Å; R723-T726 CarbonylContact O-C 3.42Å; R723-T726 WeakPolarHBondContact O-CA 3.48Å; R723-T726 WeakPolarHBondContact O-CB 3.34Å; R723-T726 PolarHBondContact O-N 3.01Å; T726-K728 VanDerWaalsContact C-N 3.3Å; T726-K728 PolarHBondContact O-N 2.77Å; T726-M729 PolarHBondContact O-N 2.78Å; T726-L730 HydrophobicContact CG2-CD1 4.45Å; T726-L730 PolarHBondContact O-N 3.07Å; T726-L730 VanDerWaalsContact O-N 3.14Å
727	E	66.1	Low	54.9	Low	21 Å²	21	74.3 Å²	74.3	10%	0.098	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-33.8	176.6	-72.8	175.8	164.2	0	0	112.4	L478 Y482 R723 I732	L478-E727 HydrophobicContact CD2-CG 3.94Å; Y482-E727 PolarHBondContact OH-OE1 3.03Å; R723-E727 VanDerWaalsContact CD-OE1 3.31Å; R723-E727 WeakPolarHBondContact CD-OE1 3.23Å; R723-E727 HydrophobicContact CG-CG 4.02Å; R723-E727 WeakPolarHBondContact CG-OE1 3.47Å; R723-E727 WeakPolarHBondContact O-CB 3.41Å; R723-E727 WeakPolarHBondContact O-CG 3.33Å; R723-E727 PolarHBondContact O-N 3.45Å; E727-I732 HydrophobicContact CB-CD1 3.7Å; E727-I732 HydrophobicContact CB-CG1 4.48Å; E727-I732 HydrophobicContact CG-CD1 3.7Å; E727-I732 WeakPolarHBondContact O-CG1 3.08Å; E727-I732 PolarHBondContact O-N 2.72Å
728	K	67.9	Low	54	Low	121 Å²	121	72.1 Å²	72.1	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-73.7	-38.3	173.8	-74.8	165.8	-167.4	160.2	0	112.6	Q724 E725 T726 L730 H731	Q724-K728 WeakPolarHBondContact O-CD 3.24Å; Q724-K728 WeakPolarHBondContact O-CE 3.25Å; Q724-K728 WeakPolarHBondContact O-CG 3.38Å; Q724-K728 PolarHBondContact O-N 2.91Å; E725-K728 PolarHBondContact O-N 3.39Å; T726-K728 VanDerWaalsContact C-N 3.3Å; T726-K728 PolarHBondContact O-N 2.77Å; K728-L730 PolarHBondContact O-N 3.04Å; K728-H731 PolarHBondContact O-N 2.92Å; K728-H731 VanDerWaalsContact O-N 3.15Å
729	M	68.6	Low	52.9	Low	137 Å²	137	68.2 Å²	68.2	68%	0.675	37%	0.37	S	S	*	.	H	α-helix	trans	-62.6	-29.9	175.1	-71.2	173.3	-177	0	0	112.2	E725 T726 H731	E725-M729 WeakPolarHBondContact O-CG 3.46Å; E725-M729 PolarHBondContact O-N 3.05Å; T726-M729 PolarHBondContact O-N 2.78Å; M729-H731 VanDerWaalsContact C-N 3.29Å; M729-H731 PolarHBondContact O-N 2.99Å
730	L	64.4	Low	51.5	Low	23 Å²	23	68.7 Å²	68.7	12%	0.12	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	16.4	176.6	-67.4	170.1	0	0	0	113.7	N472 A474 L478 T726 K728 I732	N472-L730 WeakPolarHBondContact ND2-CD2 3.25Å; A474-L730 HydrophobicContact CB-CD1 3.92Å; A474-L730 HydrophobicContact CB-CD2 3.91Å; A474-L730 HydrophobicContact CB-CG 3.81Å; L478-L730 HydrophobicContact CD1-CD1 3.36Å; L478-L730 HydrophobicContact CG-CD1 3.83Å; T726-L730 HydrophobicContact CG2-CD1 4.45Å; T726-L730 PolarHBondContact O-N 3.07Å; T726-L730 VanDerWaalsContact O-N 3.14Å; K728-L730 PolarHBondContact O-N 3.04Å; L730-I732 VanDerWaalsContact C-N 3.26Å; L730-I732 PolarHBondContact O-N 2.59Å; L730-I732 VanDerWaalsContact O-N 3.16Å
731	H	57.9	Low	50.1	Low	169 Å²	169	71.1 Å²	71.1	78%	0.782	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.6	175.9	-66.8	-77.9	0	0	0	115.4	K728 M729 S733	K728-H731 PolarHBondContact O-N 2.92Å; K728-H731 VanDerWaalsContact O-N 3.15Å; M729-H731 VanDerWaalsContact C-N 3.29Å; M729-H731 PolarHBondContact O-N 2.99Å; H731-S733 PolarHBondContact O-N 2.89Å
732	I	51.4	Low	48.5	Very low	58 Å²	58	73.3 Å²	73.3	30%	0.297	40%	0.404	S	S	.	.			trans	-65.8	101.4	176.1	-53.9	178.5	0	0	0	109.7	A440 E727 L730 N734	A440-I732 HydrophobicContact CB-CD1 3.31Å; A440-I732 HydrophobicContact CB-CG1 3.85Å; E727-I732 HydrophobicContact CB-CD1 3.7Å; E727-I732 HydrophobicContact CB-CG1 4.48Å; E727-I732 HydrophobicContact CG-CD1 3.7Å; E727-I732 WeakPolarHBondContact O-CG1 3.08Å; E727-I732 PolarHBondContact O-N 2.72Å; L730-I732 VanDerWaalsContact C-N 3.26Å; L730-I732 PolarHBondContact O-N 2.59Å; L730-I732 VanDerWaalsContact O-N 3.16Å; I732-N734 PolarHBondContact O-N 3.16Å
733	S	40.8	Very low	46.7	Very low	113 Å²	113	82.5 Å²	82.5	79%	0.79	44%	0.438	S	S	*	.			trans	-74	62.3	178	46.9	0	0	0	0	111.9	H731 P735	H731-S733 PolarHBondContact O-N 2.89Å; S733-P735 WeakPolarHBondContact O-CD 3.35Å; S733-P735 VanDerWaalsContact O-N 3.09Å
734	N	38.4	Very low	44.9	Very low	71 Å²	71	84.3 Å²	84.3	38%	0.38	46%	0.463	S	S	.	.			trans	-48.6	113.5	174	-87.9	-82.9	0	0	0	111	I732	I732-N734 PolarHBondContact O-N 3.16Å
735	P	36	Very low	43	Very low	116 Å²	116	87.3 Å²	87.3	75%	0.753	49%	0.488	S	S	*	.			trans	-58.5	143.7	171.6	-22.7	35.1	0	0	0	110	S733 G737	S733-P735 WeakPolarHBondContact O-CD 3.35Å; S733-P735 VanDerWaalsContact O-N 3.09Å; P735-G737 PolarHBondContact O-N 3.35Å
736	I	28.5	Very low	40.9	Very low	121 Å²	121	90 Å²	90	62%	0.621	50%	0.5	S	S	*	.	S	Bend	trans	-58.5	109.2	-145	-70.1	174.2	0	0	0	113.9	E113 K115	E113-I736 WeakPolarHBondContact OE2-CB 3.45Å; E113-I736 WeakPolarHBondContact OE2-CD1 3.47Å; K115-I736 WeakPolarHBondContact CE-O 3.41Å; K115-I736 PolarHBondContact NZ-O 3.12Å
737	G	31.2	Very low	38.9	Very low	23 Å²	23	99 Å²	99	24%	0.237	54%	0.535	C	S	.	.			trans	103.1	61.4	146.7	0	0	0	0	0	117.1	K115 P735 S739	K115-G737 WeakPolarHBondContact CE-O 3.4Å; K115-G737 PolarHBondContact NZ-O 3.06Å; P735-G737 PolarHBondContact O-N 3.35Å; G737-S739 VanDerWaalsContact C-N 3.31Å; G737-S739 PolarHBondContact O-N 2.99Å
738	S	31.5	Very low	37.2	Very low	65 Å²	65	106.3 Å²	106.3	46%	0.455	57%	0.566	S	S	.	*	S	Bend		-68.8	105.2	125.5	-173.1	0	0	0	0	106.8
739	S	29.1	Very low	35.3	Very low	23 Å²	23	107.5 Å²	107.5	16%	0.161	58%	0.578	C	S	.	*			trans	-62.7	160.9	169.2	43.1	0	0	0	0	110.4	E223 I228 G737	E223-S739 WeakPolarHBondContact CG-OG 3.32Å; E223-S739 WeakPolarHBondContact OE1-CB 3.31Å; E223-S739 PolarHBondContact OE1-OG 3.47Å; I228-S739 WeakPolarHBondContact CD1-OG 3.49Å; G737-S739 VanDerWaalsContact C-N 3.31Å; G737-S739 PolarHBondContact O-N 2.99Å
740	L	25.8	Very low	33.6	Very low	95 Å²	95	107.9 Å²	107.9	50%	0.497	58%	0.583	S	S	.	*	S	Bend	cis	-126.2	161	34.2	-161	151.7	0	0	0	113	T220	T220-L740 HydrophobicContact CG2-CD1 3.61Å; T220-L740 WeakPolarHBondContact OG1-CD1 3.36Å
741	I	27.1	Very low	31.9	Very low	99 Å²	99	115.8 Å²	115.8	51%	0.508	62%	0.62	S	S	.	*			trans	102.5	97.9	-179.5	-57.4	166.2	0	0	0	111.5	W743	I741-W743 HydrophobicContact CG2-CG 4.35Å; I741-W743 PolarHBondContact O-N 3.31Å
742	S	25.1	Very low	30.5	Very low	115 Å²	115	112.3 Å²	112.3	80%	0.804	62%	0.62	S	S	*	*			trans	-64.4	106.6	151.5	53.5	0	0	0	0	108.1	G744	S742-G744 VanDerWaalsContact C-N 3.33Å; S742-G744 PolarHBondContact O-N 2.99Å
743	W	27.3	Very low	29.4	Very low	207 Å²	207	118.3 Å²	118.3	78%	0.784	65%	0.649	S	S	*	*			trans	-67.7	103.3	155.5	-77.2	78.7	0	0	0	106.2	I741	I741-W743 HydrophobicContact CG2-CG 4.35Å; I741-W743 PolarHBondContact O-N 3.31Å
744	G	24.9	Very low	28.9	Very low	57 Å²	57	118.1 Å²	118.1	59%	0.588	65%	0.648	S	S	*	*			trans	-57.8	142.2	165	0	0	0	0	0	108.2	S742 E746	S742-G744 VanDerWaalsContact C-N 3.33Å; S742-G744 PolarHBondContact O-N 2.99Å; G744-E746 PolarHBondContact O-N 3.25Å
745	S	25.1	Very low	28.4	Very low	95 Å²	95	121.3 Å²	121.3	66%	0.664	67%	0.665	S	S	*	*			trans	-60.6	100.6	173.7	52.2	0	0	0	0	109.4	Y747	S745-Y747 PolarHBondContact O-N 3.35Å
746	E	24.7	Very low	28.3	Very low	155 Å²	155	124.3 Å²	124.3	72%	0.724	67%	0.666	S	S	*	*			trans	-67	87.6	160	-76.2	-167	168.6	0	0	107.2	G744 K748	G744-E746 PolarHBondContact O-N 3.25Å; E746-K748 VanDerWaalsContact C-N 3.26Å; E746-K748 PolarHBondContact O-N 3.45Å
747	Y	26	Very low	28.4	Very low	195 Å²	195	122.7 Å²	122.7	77%	0.765	67%	0.666	S	S	*	*			trans	-58.1	98.3	156.5	-88.7	-99.1	0	0	0	106.9	S745 D749	S745-Y747 PolarHBondContact O-N 3.35Å; Y747-D749 VanDerWaalsContact C-N 3.33Å; Y747-D749 PolarHBondContact O-N 3.34Å
748	K	30.4	Very low	28.4	Very low	174 Å²	174	132.1 Å²	132.1	76%	0.757	69%	0.694	S	S	*	*			trans	-79.4	92.5	158.9	-72.2	-168	174.8	-174.9	0	107.3	E746 D750	E746-K748 VanDerWaalsContact C-N 3.26Å; E746-K748 PolarHBondContact O-N 3.45Å; K748-D750 PolarHBondContact O-N 3.03Å; K748-D750 VanDerWaalsContact O-N 3.14Å
749	D	27.1	Very low	28.3	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	71%	0.705	S	S	*	*			trans	-57.9	109.1	155.4	-77.2	-45.8	0	0	0	107.7	Y747	Y747-D749 VanDerWaalsContact C-N 3.33Å; Y747-D749 PolarHBondContact O-N 3.34Å
750	D	33.9	Very low	28.5	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	74%	0.735	S	S	*	*			trans	-142.4	121.6	156	-103.3	-41.3	0	0	0	110.7	K748	K748-D750 PolarHBondContact O-N 3.03Å; K748-D750 VanDerWaalsContact O-N 3.14Å
751	Q	28.1	Very low	28.5	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	75%	0.747	S	S	*	*			trans	-44	131.6	-170	-57	161.1	30.9	0	0	116.6
752	A	27.9	Very low	28.9	Very low	95 Å²	95	145.7 Å²	145.7	79%	0.785	77%	0.766	S	S	*	*				-168	126.7	122.6	0	0	0	0	0	114.6
753	M	29.5	Very low	28.9	Very low	184 Å²	184	144.9 Å²	144.9	91%	0.906	76%	0.76	S	S	*	*			trans	46.5	117.8	147.7	-67.1	-162.6	167.6	0	0	122.8
754	S	29.7	Very low	29	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	77%	0.765	S	S	*	*				72.2	130.6	122.6	177.6	0	0	0	0	120.5
755	N	28.1	Very low	29.1	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	77%	0.77	S	S	*	*			cis	-172.1	170.8	-15.6	-149	-30.1	0	0	0	109
756	K	34.4	Very low	29.1	Very low	178 Å²	178	149.7 Å²	149.7	77%	0.774	77%	0.773	S	S	*	*			trans	70.4	103.9	168.8	-60.1	168.7	-176.1	175.7	0	115.2
757	S	29.7	Very low	29.2	Very low	88 Å²	88	149.6 Å²	149.6	62%	0.615	77%	0.773	S	S	*	*				71.8	138.6	83.4	72.2	0	0	0	0	113.9
758	W	31	Very low	29.3	Very low	221 Å²	221	145.2 Å²	145.2	84%	0.837	77%	0.771	S	S	*	*			cis	-129.5	151.5	22.1	-70.2	49.9	0	0	0	109.9
759	T	28.5	Very low	29.4	Very low	111 Å²	111	145 Å²	145	68%	0.681	78%	0.778	S	S	*	*			cis	76.6	91.9	34.9	68.3	0	0	0	0	117.8
760	Q	33.6	Very low	29.5	Very low	168 Å²	168	147 Å²	147	79%	0.785	78%	0.78	S	S	*	*				-169.8	121	129.3	-98.6	165.3	33	0	0	108.1
761	N	27.5	Very low	29.3	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	77%	0.774	S	S	*	*				48.9	123.1	92.4	-78	-18.1	0	0	0	113.2
762	T	34.3	Very low	29.6	Very low	145 Å²	145	144.9 Å²	144.9	89%	0.89	78%	0.777	S	S	*	*				-124.7	161.6	56.5	51.5	0	0	0	0	116
763	S	25.7	Very low	29.6	Very low	98 Å²	98	149 Å²	149	69%	0.685	77%	0.773	S	S	*	*			trans	-134	154.1	165.1	80.3	0	0	0	0	109.4
764	C	28.6	Very low	29.6	Very low	131 Å²	131	146.1 Å²	146.1	89%	0.885	76%	0.761	S	S	*	*			trans	-141.4	145.3	157.1	-158.5	0	0	0	0	110.5
765	K	27	Very low	29.6	Very low	160 Å²	160	150.6 Å²	150.6	70%	0.696	77%	0.767	S	S	*	*			trans	-122.4	149	-179.8	-58.3	169.5	-178	173.5	0	107.6
766	F	25.3	Very low	30	Very low	169 Å²	169	152 Å²	152	74%	0.741	77%	0.773	S	S	*	*				166	163	107.9	-104.7	-73.4	0	0	0	115.1
767	Q	27.7	Very low	29.9	Very low	152 Å²	152	149.3 Å²	149.3	71%	0.71	77%	0.772	S	S	*	*			trans	56.7	90.8	148.5	-81.5	140.2	1.4	0	0	119.9
768	S	27.7	Very low	30	Very low	104 Å²	104	150 Å²	150	73%	0.727	78%	0.777	S	S	*	*				19.9	128.2	115.8	61.6	0	0	0	0	119.1
769	N	32.6	Very low	30	Very low	170 Å²	170	144.6 Å²	144.6	91%	0.909	77%	0.772	S	S	*	*			trans	-141.4	154.3	141.9	-127.8	-34.2	0	0	0	112.1
770	K	29	Very low	30.2	Very low	187 Å²	187	148.3 Å²	148.3	81%	0.813	78%	0.779	S	S	*	*			trans	-112.7	163.9	-177.4	-97.9	-177.8	176	177.8	0	111
771	T	30.4	Very low	30.3	Very low	107 Å²	107	145.9 Å²	145.9	66%	0.656	78%	0.776	S	S	*	*			trans	63.7	102.8	159.8	47.2	0	0	0	0	120
772	L	34.6	Very low	30.5	Very low	183 Å²	183	149.6 Å²	149.6	96%	0.958	78%	0.779	S	S	*	*			trans	-143.7	93.3	139.2	-93.2	170.9	0	0	0	105.7
773	R	25.9	Very low	30.3	Very low	183 Å²	183	149.8 Å²	149.8	69%	0.691	77%	0.77	S	S	*	*			cis	101.2	93	22.9	-157.1	176.6	-167.3	167.5	5.8	114.2
774	D	30.4	Very low	30.8	Very low	122 Å²	122	154.7 Å²	154.7	65%	0.652	78%	0.782	S	S	*	*			trans	57.2	104.8	144.7	-42.1	-23.5	0	0	0	120.2
775	K	30.7	Very low	30.9	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	78%	0.781	S	S	*	*			trans	-179	151.3	133.6	-96.9	148.2	-169.4	175.6	0	112.9
776	L	34.9	Very low	31.1	Very low	166 Å²	166	150 Å²	150	87%	0.869	78%	0.781	S	S	*	*			trans	98.4	70.6	-172.1	-63.1	165.2	0	0	0	113.3
777	V	33.5	Very low	31.4	Very low	123 Å²	123	148.3 Å²	148.3	75%	0.745	79%	0.787	S	S	*	*				62.1	92.6	79.5	-176.4	0	0	0	0	111.2
778	S	30.3	Very low	31.4	Very low	103 Å²	103	151.2 Å²	151.2	72%	0.72	80%	0.798	S	S	*	*			cis	87.6	109.6	44.6	81.9	0	0	0	0	115.7
779	S	32.9	Very low	31.5	Very low	106 Å²	106	151 Å²	151	74%	0.741	80%	0.802	S	S	*	*			trans	-178.5	164.9	138.9	50.3	0	0	0	0	112
780	F	32.4	Very low	31.3	Very low	189 Å²	189	148.4 Å²	148.4	83%	0.829	80%	0.797	S	S	*	*			trans	63	101.6	179	-69.4	-87.8	0	0	0	116.9
781	V	34.2	Very low	31.5	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.715	80%	0.8	S	S	*	*			cis	81.3	127.4	42.5	-175.9	0	0	0	0	111.1
782	R	31.7	Very low	31.4	Very low	221 Å²	221	147.4 Å²	147.4	83%	0.834	81%	0.805	S	S	*	*			cis	-142.8	172.3	23.3	-150.9	154.1	-166.4	166.1	3.4	115.1
783	E	31.1	Very low	31.4	Very low	149 Å²	149	144.6 Å²	144.6	70%	0.696	80%	0.801	S	S	*	*			trans	-83.3	160.9	179.5	-38.8	101.1	119.6	0	0	115.4
784	Q	35.4	Very low	32	Very low	200 Å²	200	140.5 Å²	140.5	94%	0.935	80%	0.801	S	S	*	*				-151	163.5	117.9	-115.1	170.6	92.9	0	0	111
785	S	31.5	Very low	32.6	Very low	125 Å²	125	140.4 Å²	140.4	87%	0.874	81%	0.808	S	S	*	*			trans	-132.4	150.2	-152.2	51.8	0	0	0	0	115.6
786	G	30.1	Very low	33.6	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	78%	0.782	S	S	*	*			trans	-152.6	148.6	171.1	0	0	0	0	0	110.3
787	P	31.4	Very low	35.1	Very low	135 Å²	135	128.2 Å²	128.2	88%	0.877	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-81.7	151.9	-161.5	31	-35.9	0	0	0	114.9
788	K	28	Very low	35.7	Very low	213 Å²	213	131.1 Å²	131.1	93%	0.926	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-80.4	133.3	174.5	-64.6	177.4	179	177.7	0	111.2
789	A	30.2	Very low	36.8	Very low	100 Å²	100	129.1 Å²	129.1	83%	0.826	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-98.2	135.6	153.1	0	0	0	0	0	109.1
790	S	29.2	Very low	38.2	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-82.7	137	173.4	52.7	0	0	0	0	110.8
791	N	31.5	Very low	39.5	Very low	164 Å²	164	126 Å²	126	88%	0.877	72%	0.719	S	S	*	*			trans	-142	137.6	159	-103.6	-27.5	0	0	0	110.7
792	S	28.6	Very low	40.5	Very low	110 Å²	110	127.6 Å²	127.6	77%	0.769	71%	0.713	S	S	*	*			trans	-77.7	132.9	176.9	41.3	0	0	0	0	110.6	S794	S792-S794 PolarHBondContact O-N 3.48Å
793	S	34.7	Very low	42.1	Very low	123 Å²	123	122.9 Å²	122.9	86%	0.86	70%	0.701	S	S	*	*			trans	-76.1	89.6	175.9	56.3	0	0	0	0	110.9
794	S	39.8	Very low	43.7	Very low	98 Å²	98	120.5 Å²	120.5	69%	0.685	69%	0.693	S	S	*	*			trans	-65	141.3	165.3	49.2	0	0	0	0	110.4	S792 L796	S792-S794 PolarHBondContact O-N 3.48Å; S794-L796 PolarHBondContact O-N 2.95Å; S794-L796 VanDerWaalsContact O-N 3.12Å
795	C	42.8	Very low	44.7	Very low	119 Å²	119	116 Å²	116	80%	0.804	67%	0.671	S	S	*	*			trans	-81.8	94.7	-177.3	-169.7	0	0	0	0	110.5	S797	C795-S797 PolarHBondContact O-N 2.85Å
796	L	52	Low	46.3	Very low	65 Å²	65	113.7 Å²	113.7	34%	0.34	65%	0.646	S	S	.	*			trans	-57.6	131	174.7	-65.5	169.8	0	0	0	111	S794 E800 R801 L804	S794-L796 PolarHBondContact O-N 2.95Å; S794-L796 VanDerWaalsContact O-N 3.12Å; L796-E800 HydrophobicContact CB-CB 4.18Å; L796-E800 HydrophobicContact CD2-CB 4.08Å; L796-R801 HydrophobicContact CB-CG 4.1Å; L796-R801 VanDerWaalsContact O-CZ 3.25Å; L796-R801 PolarHBondContact O-NE 2.87Å; L796-R801 PolarHBondContact O-NH2 2.76Å; L796-L804 HydrophobicContact CD1-CD1 3.65Å
797	S	65.1	Low	48	Very low	50 Å²	50	113.2 Å²	113.2	35%	0.35	64%	0.636	S	S	.	*			trans	-61.7	169.1	177.3	68	0	0	0	0	112.7	C795 A799 E800 R801	C795-S797 PolarHBondContact O-N 2.85Å; S797-A799 PolarHBondContact O-N 3.29Å; S797-A799 PolarHBondContact OG-N 2.88Å; S797-E800 WeakPolarHBondContact CB-OE2 3.44Å; S797-E800 PolarHBondContact N-OE2 2.71Å; S797-E800 PolarHBondContact O-N 3.17Å; S797-E800 WeakPolarHBondContact OG-CG 3.31Å; S797-E800 PolarHBondContact OG-N 3.46Å; S797-E800 VanDerWaalsContact OG-N 3.12Å; S797-E800 PolarHBondContact OG-OE2 3.4Å; S797-R801 PolarHBondContact O-N 2.73Å
798	K	45.8	Very low	49.4	Very low	184 Å²	184	112.9 Å²	112.9	80%	0.8	62%	0.622	S	S	*	*	H	α-helix	trans	-61.4	-29.7	173.1	-170	178.9	178.4	-174.6	0	111.8	R802	K798-R802 WeakPolarHBondContact O-CB 3.42Å; K798-R802 PolarHBondContact O-N 2.92Å
799	A	54.7	Low	50.6	Low	62 Å²	62	103.7 Å²	103.7	51%	0.512	58%	0.584	S	S	.	*	H	α-helix	trans	-73.6	-49.1	176.2	0	0	0	0	0	111.8	S797 R801 R802 M803	S797-A799 PolarHBondContact O-N 3.29Å; S797-A799 PolarHBondContact OG-N 2.88Å; A799-R801 PolarHBondContact O-N 3.31Å; A799-R802 WeakPolarHBondContact O-CA 3.43Å; A799-R802 WeakPolarHBondContact O-CB 3.38Å; A799-R802 PolarHBondContact O-N 3.17Å; A799-M803 WeakPolarHBondContact O-CG 3.46Å; A799-M803 PolarHBondContact O-N 3.36Å
800	E	61.8	Low	52.3	Low	80 Å²	80	105.6 Å²	105.6	37%	0.374	57%	0.574	S	S	.	*	H	α-helix	trans	-62.9	-40.9	179.4	-69.9	157.5	112.1	0	0	112.2	L796 S797 R802 M803 L804	L796-E800 HydrophobicContact CB-CB 4.18Å; L796-E800 HydrophobicContact CD2-CB 4.08Å; S797-E800 WeakPolarHBondContact CB-OE2 3.44Å; S797-E800 PolarHBondContact N-OE2 2.71Å; S797-E800 PolarHBondContact O-N 3.17Å; S797-E800 WeakPolarHBondContact OG-CG 3.31Å; S797-E800 PolarHBondContact OG-N 3.46Å; S797-E800 VanDerWaalsContact OG-N 3.12Å; S797-E800 PolarHBondContact OG-OE2 3.4Å; E800-R802 VanDerWaalsContact C-N 3.26Å; E800-R802 PolarHBondContact O-N 2.85Å; E800-M803 HydrophobicContact CG-CE 4.25Å; E800-M803 PolarHBondContact O-N 2.87Å; E800-L804 WeakPolarHBondContact O-CB 3.35Å; E800-L804 WeakPolarHBondContact O-CG 3.43Å; E800-L804 PolarHBondContact O-N 3Å
801	R	60.8	Low	53.8	Low	148 Å²	148	102.3 Å²	102.3	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-62.3	-32.4	173.1	-85.1	-178.9	-92.1	-175.2	-10.1	113.1	L796 S797 A799 F805	L796-R801 HydrophobicContact CB-CG 4.1Å; L796-R801 VanDerWaalsContact O-CZ 3.25Å; L796-R801 PolarHBondContact O-NE 2.87Å; L796-R801 PolarHBondContact O-NH2 2.76Å; S797-R801 PolarHBondContact O-N 2.73Å; A799-R801 PolarHBondContact O-N 3.31Å; R801-F805 PolarHBondContact O-N 2.77Å
802	R	55	Low	54.8	Low	153 Å²	153	98.8 Å²	98.8	58%	0.577	54%	0.535	S	S	*	.	H	α-helix	trans	-71.5	-47.6	174.4	-176.6	174.9	179.8	157	10.5	111.4	K798 A799 E800 L804 F805 E806	K798-R802 WeakPolarHBondContact O-CB 3.42Å; K798-R802 PolarHBondContact O-N 2.92Å; A799-R802 WeakPolarHBondContact O-CA 3.43Å; A799-R802 WeakPolarHBondContact O-CB 3.38Å; A799-R802 PolarHBondContact O-N 3.17Å; E800-R802 VanDerWaalsContact C-N 3.26Å; E800-R802 PolarHBondContact O-N 2.85Å; R802-L804 VanDerWaalsContact C-N 3.33Å; R802-L804 PolarHBondContact O-N 2.71Å; R802-F805 PolarHBondContact O-N 3.46Å; R802-E806 HydrophobicContact CG-CG 4.43Å; R802-E806 WeakPolarHBondContact CG-OE1 3.44Å; R802-E806 IonicContact CZ-OE1 3.35Å; R802-E806 IonicContact NE-OE1 3.05Å; R802-E806 PolarHBondContact NE-OE1 3.18Å; R802-E806 IonicContact NH2-OE1 2.71Å; R802-E806 PolarHBondContact NH2-OE1 3.06Å; R802-E806 WeakPolarHBondContact O-CG 3.48Å; R802-E806 PolarHBondContact O-N 3.25Å
803	M	65.1	Low	55.7	Low	122 Å²	122	98.5 Å²	98.5	60%	0.601	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-40.6	176.7	-66.5	-165.9	-56.3	0	0	112.5	A799 E800 E806 A807	A799-M803 WeakPolarHBondContact O-CG 3.46Å; A799-M803 PolarHBondContact O-N 3.36Å; E800-M803 HydrophobicContact CG-CE 4.25Å; E800-M803 PolarHBondContact O-N 2.87Å; M803-E806 PolarHBondContact O-N 2.68Å; M803-A807 VanDerWaalsContact O-CB 3.27Å; M803-A807 WeakPolarHBondContact O-CB 3.22Å; M803-A807 PolarHBondContact O-N 2.74Å
804	L	64	Low	56.5	Low	99 Å²	99	98.3 Å²	98.3	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-40	176.7	-74.7	168.5	0	0	0	112.1	L796 E800 R802 Q808	L796-L804 HydrophobicContact CD1-CD1 3.65Å; E800-L804 WeakPolarHBondContact O-CB 3.35Å; E800-L804 WeakPolarHBondContact O-CG 3.43Å; E800-L804 PolarHBondContact O-N 3Å; R802-L804 VanDerWaalsContact C-N 3.33Å; R802-L804 PolarHBondContact O-N 2.71Å; L804-Q808 WeakPolarHBondContact O-CB 3.34Å; L804-Q808 PolarHBondContact O-N 3.07Å
805	F	57.4	Low	57	Low	106 Å²	106	99.9 Å²	99.9	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-46	175.1	-177.9	-93.1	0	0	0	111.8	Y716 R801 R802 A807 Q808 V809	Y716-F805 AromaticContact CD1-CE1 3.63Å; Y716-F805 HydrophobicContact CD1-CE1 3.63Å; Y716-F805 HydrophobicContact CD1-CZ 4.07Å; Y716-F805 AromaticContact CE1-CE1 3.75Å; Y716-F805 HydrophobicContact CE1-CE1 3.75Å; Y716-F805 AromaticContact CE1-CZ 3.71Å; Y716-F805 HydrophobicContact CE1-CZ 3.71Å; Y716-F805 HydrophobicContact CG-CE1 4.11Å; R801-F805 PolarHBondContact O-N 2.77Å; R802-F805 PolarHBondContact O-N 3.46Å; F805-A807 VanDerWaalsContact C-N 3.29Å; F805-A807 PolarHBondContact O-N 2.79Å; F805-Q808 WeakPolarHBondContact O-CB 3.04Å; F805-Q808 PolarHBondContact O-N 3.22Å; F805-Q808 VanDerWaalsContact O-N 3.17Å; F805-V809 HydrophobicContact CD1-CG2 4.28Å; F805-V809 HydrophobicContact CE1-CG2 3.85Å; F805-V809 HydrophobicContact CZ-CG2 4.11Å; F805-V809 WeakPolarHBondContact O-CG2 3.13Å; F805-V809 PolarHBondContact O-N 2.92Å
806	E	63.8	Low	56.8	Low	75 Å²	75	99.4 Å²	99.4	35%	0.35	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-32.7	177.6	-70.7	168.3	174.4	0	0	112.1	R802 M803 K810	R802-E806 HydrophobicContact CG-CG 4.43Å; R802-E806 WeakPolarHBondContact CG-OE1 3.44Å; R802-E806 IonicContact CZ-OE1 3.35Å; R802-E806 IonicContact NE-OE1 3.05Å; R802-E806 PolarHBondContact NE-OE1 3.18Å; R802-E806 IonicContact NH2-OE1 2.71Å; R802-E806 PolarHBondContact NH2-OE1 3.06Å; R802-E806 WeakPolarHBondContact O-CG 3.48Å; R802-E806 PolarHBondContact O-N 3.25Å; M803-E806 PolarHBondContact O-N 2.68Å; E806-K810 PolarHBondContact O-N 2.9Å
807	A	66.2	Low	56.2	Low	58 Å²	58	101.2 Å²	101.2	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-71.3	-38.8	171.4	0	0	0	0	0	113	M803 F805 K810 A811	M803-A807 VanDerWaalsContact O-CB 3.27Å; M803-A807 WeakPolarHBondContact O-CB 3.22Å; M803-A807 PolarHBondContact O-N 2.74Å; F805-A807 VanDerWaalsContact C-N 3.29Å; F805-A807 PolarHBondContact O-N 2.79Å; A807-K810 PolarHBondContact O-N 3.38Å; A807-A811 PolarHBondContact O-N 3.29Å
808	Q	61.5	Low	54.8	Low	127 Å²	127	103.1 Å²	103.1	59%	0.593	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-40.5	175.9	-170.1	99.4	56.6	0	0	111.4	L804 F805 A811 N812	L804-Q808 WeakPolarHBondContact O-CB 3.34Å; L804-Q808 PolarHBondContact O-N 3.07Å; F805-Q808 WeakPolarHBondContact O-CB 3.04Å; F805-Q808 PolarHBondContact O-N 3.22Å; F805-Q808 VanDerWaalsContact O-N 3.17Å; Q808-A811 PolarHBondContact O-N 2.93Å; Q808-N812 PolarHBondContact O-N 3.24Å; Q808-N812 VanDerWaalsContact O-N 3.15Å; Q808-N812 PolarHBondContact O-OD1 3.01Å
809	V	53.4	Low	54.1	Low	21 Å²	21	102.3 Å²	102.3	13%	0.127	53%	0.534	C	S	.	.	H	α-helix	trans	-60.2	-52.2	173.8	169.9	0	0	0	0	110.5	Y716 F805 A811 N812 E813	Y716-V809 HydrophobicContact CD2-CG1 3.97Å; Y716-V809 HydrophobicContact CD2-CG2 4.1Å; Y716-V809 HydrophobicContact CE2-CB 4.32Å; Y716-V809 HydrophobicContact CE2-CG1 3.63Å; Y716-V809 HydrophobicContact CE2-CG2 3.65Å; F805-V809 HydrophobicContact CD1-CG2 4.28Å; F805-V809 HydrophobicContact CE1-CG2 3.85Å; F805-V809 HydrophobicContact CZ-CG2 4.11Å; F805-V809 WeakPolarHBondContact O-CG2 3.13Å; F805-V809 PolarHBondContact O-N 2.92Å; V809-A811 VanDerWaalsContact C-N 3.26Å; V809-A811 PolarHBondContact O-N 3.08Å; V809-N812 PolarHBondContact O-N 2.82Å; V809-E813 HydrophobicContact CG1-CG 4.32Å; V809-E813 WeakPolarHBondContact CG1-OE1 3.21Å; V809-E813 WeakPolarHBondContact O-CG 3.39Å; V809-E813 PolarHBondContact O-N 2.88Å
810	K	64.5	Low	53	Low	139 Å²	139	106.9 Å²	106.9	60%	0.604	55%	0.55	S	S	*	*	H	α-helix	trans	-60.1	-32.3	177.2	-78.5	-174.6	172.4	-177.2	0	114	E806 A807 N814	E806-K810 PolarHBondContact O-N 2.9Å; A807-K810 PolarHBondContact O-N 3.38Å; K810-N814 WeakPolarHBondContact O-CB 3.46Å; K810-N814 VanDerWaalsContact O-CG 3.28Å; K810-N814 PolarHBondContact O-N 2.66Å; K810-N814 VanDerWaalsContact O-N 3.16Å; K810-N814 PolarHBondContact O-ND2 2.83Å
811	A	61.5	Low	51.4	Low	45 Å²	45	108.8 Å²	108.8	37%	0.372	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-43.4	174.3	0	0	0	0	0	111.5	A807 Q808 V809 Q815	A807-A811 PolarHBondContact O-N 3.29Å; Q808-A811 PolarHBondContact O-N 2.93Å; V809-A811 VanDerWaalsContact C-N 3.26Å; V809-A811 PolarHBondContact O-N 3.08Å; A811-Q815 WeakPolarHBondContact O-CG 3.44Å; A811-Q815 PolarHBondContact O-N 2.97Å; A811-Q815 VanDerWaalsContact O-N 3.13Å
812	N	51.8	Low	50	Low	91 Å²	91	107.8 Å²	107.8	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-40.2	178.4	-68.1	3.7	0	0	0	112.3	Q808 V809 N814 Q815 C816	Q808-N812 PolarHBondContact O-N 3.24Å; Q808-N812 VanDerWaalsContact O-N 3.15Å; Q808-N812 PolarHBondContact O-OD1 3.01Å; V809-N812 PolarHBondContact O-N 2.82Å; N812-N814 VanDerWaalsContact C-N 3.35Å; N812-N814 PolarHBondContact O-N 3.03Å; N812-Q815 PolarHBondContact O-N 3.17Å; N812-C816 WeakPolarHBondContact O-CB 3.19Å; N812-C816 PolarHBondContact O-N 3.45Å
813	E	47.7	Very low	48.8	Very low	104 Å²	104	106.2 Å²	106.2	49%	0.486	59%	0.592	S	S	.	*	H	α-helix	trans	-59.4	-44.3	175.5	-70.7	169.6	159.3	0	0	111.5	V809 Q815 C816 S817	V809-E813 HydrophobicContact CG1-CG 4.32Å; V809-E813 WeakPolarHBondContact CG1-OE1 3.21Å; V809-E813 WeakPolarHBondContact O-CG 3.39Å; V809-E813 PolarHBondContact O-N 2.88Å; E813-Q815 PolarHBondContact O-N 3.41Å; E813-C816 PolarHBondContact O-N 2.98Å; E813-S817 PolarHBondContact O-N 2.82Å; E813-S817 PolarHBondContact O-OG 2.74Å
814	N	51.8	Low	46.9	Very low	119 Å²	119	107 Å²	107	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-66.6	-34	176.6	-73.5	-38	0	0	0	112.9	K810 N812	K810-N814 WeakPolarHBondContact O-CB 3.46Å; K810-N814 VanDerWaalsContact O-CG 3.28Å; K810-N814 PolarHBondContact O-N 2.66Å; K810-N814 VanDerWaalsContact O-N 3.16Å; K810-N814 PolarHBondContact O-ND2 2.83Å; N812-N814 VanDerWaalsContact C-N 3.35Å; N812-N814 PolarHBondContact O-N 3.03Å
815	Q	51	Low	45.5	Very low	131 Å²	131	107.9 Å²	107.9	61%	0.612	62%	0.618	S	S	*	*	H	α-helix	trans	-73.2	-38.3	175.9	-75.4	-179.3	-18.8	0	0	112.7	A811 N812 E813 S817 S818	A811-Q815 WeakPolarHBondContact O-CG 3.44Å; A811-Q815 PolarHBondContact O-N 2.97Å; A811-Q815 VanDerWaalsContact O-N 3.13Å; N812-Q815 PolarHBondContact O-N 3.17Å; E813-Q815 PolarHBondContact O-N 3.41Å; Q815-S817 PolarHBondContact O-N 2.76Å; Q815-S818 PolarHBondContact O-N 2.88Å; Q815-S818 PolarHBondContact O-OG 3.07Å
816	C	37.5	Very low	44	Very low	108 Å²	108	110.7 Å²	110.7	73%	0.73	64%	0.638	S	S	*	*	H	α-helix	trans	-68.9	-14.9	177.1	-152.6	0	0	0	0	112.8	N812 E813	N812-C816 WeakPolarHBondContact O-CB 3.19Å; N812-C816 PolarHBondContact O-N 3.45Å; E813-C816 PolarHBondContact O-N 2.98Å
817	S	38.8	Very low	42.4	Very low	103 Å²	103	115.4 Å²	115.4	72%	0.72	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-3.6	179.7	-58.5	0	0	0	0	114.7	E813 Q815	E813-S817 PolarHBondContact O-N 2.82Å; E813-S817 PolarHBondContact O-OG 2.74Å; Q815-S817 PolarHBondContact O-N 2.76Å
818	S	36.5	Very low	40.7	Very low	91 Å²	91	121.4 Å²	121.4	64%	0.636	68%	0.675	S	S	*	*	S	Bend	trans	-114.2	-5.3	-173.7	50.8	0	0	0	0	116.3	Q815	Q815-S818 PolarHBondContact O-N 2.88Å; Q815-S818 PolarHBondContact O-OG 3.07Å
819	E	31.5	Very low	39.2	Very low	167 Å²	167	123.8 Å²	123.8	78%	0.78	69%	0.691	S	S	*	*			trans	-117.7	75.9	-174.9	-65.8	-168.4	158.7	0	0	112.5
820	N	30.9	Very low	38.2	Very low	158 Å²	158	131 Å²	131	85%	0.845	72%	0.724	S	S	*	*			trans	-152	89.9	164.2	-99	-55.2	0	0	0	111
821	S	27.9	Very low	36.6	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	74%	0.738	S	S	*	*			trans	-132.3	105	171	48.6	0	0	0	0	110
822	V	31.7	Very low	35	Very low	128 Å²	128	141.9 Å²	141.9	78%	0.776	76%	0.763	S	S	*	*			trans	-123.4	129.6	178.2	-178.7	0	0	0	0	107.8
823	P	29.3	Very low	33.9	Very low	120 Å²	120	142.8 Å²	142.8	78%	0.779	77%	0.773	S	S	*	*			trans	-79.4	149.3	-168.4	31.1	-35.9	0	0	0	113.5
824	T	26.5	Very low	33.2	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	77%	0.772	S	S	*	*			trans	-79.9	136.7	172.8	50.6	0	0	0	0	112.1
825	S	34.4	Very low	32.7	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	77%	0.77	S	S	*	*			trans	-151	97	161.7	61.3	0	0	0	0	111.3	E827	S825-E827 PolarHBondContact O-N 3.13Å
826	D	26.5	Very low	32.3	Very low	166 Å²	166	137.6 Å²	137.6	89%	0.888	77%	0.768	S	S	*	*			trans	-70.9	111.2	162.7	-80.9	-62	0	0	0	109.9
827	E	30.5	Very low	32.6	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	76%	0.762	S	S	*	*			trans	-176.2	109.5	150.5	-111.3	179	-176.7	0	0	110.8	S825	S825-E827 PolarHBondContact O-N 3.13Å
828	F	30.6	Very low	33	Very low	183 Å²	183	140.3 Å²	140.3	80%	0.803	76%	0.756	S	S	*	*			trans	170.6	74.4	130.1	-111.1	-89.5	0	0	0	112.5	Q830	F828-Q830 PolarHBondContact O-N 3.49Å
829	L	28.6	Very low	33.8	Very low	177 Å²	177	141 Å²	141	93%	0.927	75%	0.753	S	S	*	*			trans	-89.5	82.1	176.6	-145	175.9	0	0	0	110.6
830	Q	33.6	Very low	35.2	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	74%	0.735	S	S	*	*			trans	-144.9	137.3	175.2	-113.1	172.5	61.3	0	0	115	F828	F828-Q830 PolarHBondContact O-N 3.49Å
831	K	29.2	Very low	36.6	Very low	207 Å²	207	132.5 Å²	132.5	90%	0.9	72%	0.715	S	S	*	*			trans	-68	141.2	-166	-60	170.7	178.4	175.9	0	114.5
832	K	29.5	Very low	38.5	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.896	70%	0.702	S	S	*	*			trans	-154.5	149.5	149.8	-106.8	160.9	-173.9	171.6	0	110.6
833	P	28.7	Very low	40.1	Very low	109 Å²	109	130.2 Å²	130.2	71%	0.708	69%	0.685	S	S	*	*			trans	-88	162.9	-170.5	35	-36.5	0	0	0	115
834	S	32.8	Very low	41.7	Very low	65 Å²	65	127.2 Å²	127.2	46%	0.455	66%	0.658	S	S	.	*			trans	15.4	103.6	165.4	48	0	0	0	0	119	E837	S834-E837 WeakPolarHBondContact CB-OE2 3.4Å; S834-E837 PolarHBondContact OG-OE2 2.61Å
835	N	41.5	Very low	43.6	Very low	113 Å²	113	124.4 Å²	124.4	60%	0.604	64%	0.635	S	S	*	*	S	Bend	trans	-81	-27.1	158.2	-82.9	-18.9	0	0	0	112.9	E837 K838 D839	N835-E837 VanDerWaalsContact C-N 3.29Å; N835-E837 PolarHBondContact O-N 2.69Å; N835-E837 VanDerWaalsContact O-N 3.12Å; N835-K838 WeakPolarHBondContact O-CB 3.41Å; N835-K838 PolarHBondContact O-N 3.01Å; N835-D839 PolarHBondContact O-N 3.05Å
836	A	41.4	Very low	45.2	Very low	68 Å²	68	123.3 Å²	123.3	56%	0.562	62%	0.62	S	S	*	*	H	α-helix	trans	-56.1	-34.8	-170.1	0	0	0	0	0	115	K838 D839 T840	A836-K838 VanDerWaalsContact C-N 3.29Å; A836-K838 PolarHBondContact O-N 3.23Å; A836-D839 PolarHBondContact O-N 3.42Å; A836-T840 PolarHBondContact O-N 3.35Å; A836-T840 VanDerWaalsContact O-N 3.15Å; A836-T840 PolarHBondContact O-OG1 3.34Å
837	E	44.9	Very low	47	Very low	130 Å²	130	116.5 Å²	116.5	61%	0.607	58%	0.583	S	S	*	*	H	α-helix	trans	-66	-31.1	176.9	-68.2	169.9	105.8	0	0	112.5	S834 N835 T840 D841	S834-E837 WeakPolarHBondContact CB-OE2 3.4Å; S834-E837 PolarHBondContact OG-OE2 2.61Å; N835-E837 VanDerWaalsContact C-N 3.29Å; N835-E837 PolarHBondContact O-N 2.69Å; N835-E837 VanDerWaalsContact O-N 3.12Å; E837-T840 WeakPolarHBondContact CA-OG1 3.4Å; E837-T840 PolarHBondContact O-OG1 3.1Å; E837-D841 PolarHBondContact O-N 2.84Å; E837-D841 VanDerWaalsContact O-N 3.16Å
838	K	46.9	Very low	48.6	Very low	138 Å²	138	108.4 Å²	108.4	60%	0.6	55%	0.546	S	S	*	.	H	α-helix	trans	-73.4	-35.3	175.9	-64.1	175.3	-177.7	163.9	0	111.6	N835 A836 D841 H842	N835-K838 WeakPolarHBondContact O-CB 3.41Å; N835-K838 PolarHBondContact O-N 3.01Å; A836-K838 VanDerWaalsContact C-N 3.29Å; A836-K838 PolarHBondContact O-N 3.23Å; K838-D841 PolarHBondContact O-N 3.12Å; K838-H842 WeakPolarHBondContact O-CB 3.38Å; K838-H842 PolarHBondContact O-N 3.5Å
839	D	54.1	Low	50.3	Low	105 Å²	105	102.8 Å²	102.8	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-68	-39.8	177.9	-59.6	-38.2	0	0	0	110.7	N835 A836 D841 H842 L843	N835-D839 PolarHBondContact O-N 3.05Å; A836-D839 PolarHBondContact O-N 3.42Å; D839-D841 PolarHBondContact O-N 3.15Å; D839-H842 PolarHBondContact O-N 3.25Å; D839-L843 WeakPolarHBondContact O-CB 3.35Å; D839-L843 PolarHBondContact O-N 3.13Å
840	T	59.5	Low	52	Low	68 Å²	68	96.9 Å²	96.9	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-38.8	171.5	44	0	0	0	0	112.8	A836 E837 R844	A836-T840 PolarHBondContact O-N 3.35Å; A836-T840 VanDerWaalsContact O-N 3.15Å; A836-T840 PolarHBondContact O-OG1 3.34Å; E837-T840 WeakPolarHBondContact CA-OG1 3.4Å; E837-T840 PolarHBondContact O-OG1 3.1Å; T840-R844 WeakPolarHBondContact O-CB 3.43Å; T840-R844 PolarHBondContact O-N 3.05Å
841	D	60.2	Low	53.2	Low	79 Å²	79	89 Å²	89	42%	0.422	47%	0.468	S	S	.	.	H	α-helix	trans	-71.3	-37.4	177.5	-98.2	20.3	0	0	0	113.3	E837 K838 D839 R844 Q845	E837-D841 PolarHBondContact O-N 2.84Å; E837-D841 VanDerWaalsContact O-N 3.16Å; K838-D841 PolarHBondContact O-N 3.12Å; D839-D841 PolarHBondContact O-N 3.15Å; D841-R844 PolarHBondContact O-N 2.82Å; D841-R844 IonicContact OD1-CZ 2.67Å; D841-R844 VanDerWaalsContact OD1-CZ 3.23Å; D841-R844 IonicContact OD1-NE 2.65Å; D841-R844 PolarHBondContact OD1-NE 2.83Å; D841-R844 IonicContact OD1-NH2 2.71Å; D841-R844 PolarHBondContact OD1-NH2 2.72Å; D841-R844 IonicContact OD2-NH2 2.74Å; D841-R844 PolarHBondContact OD2-NH2 3.13Å; D841-Q845 WeakPolarHBondContact O-CB 3.43Å; D841-Q845 PolarHBondContact O-N 2.95Å
842	H	68.8	Low	54.8	Low	121 Å²	121	82.8 Å²	82.8	56%	0.56	44%	0.444	S	S	*	.	H	α-helix	trans	-65.7	-44.8	174.1	-162.6	72.4	0	0	0	111	K838 D839 R844 Q845 L846	K838-H842 WeakPolarHBondContact O-CB 3.38Å; K838-H842 PolarHBondContact O-N 3.5Å; D839-H842 PolarHBondContact O-N 3.25Å; H842-R844 PolarHBondContact O-N 3.18Å; H842-Q845 PolarHBondContact O-N 3.26Å; H842-L846 WeakPolarHBondContact O-CB 3.15Å; H842-L846 WeakPolarHBondContact O-CG 3.22Å; H842-L846 PolarHBondContact O-N 3.42Å
843	L	63.9	Low	56.3	Low	78 Å²	78	77.1 Å²	77.1	41%	0.408	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.4	-176.3	62.1	0	0	0	112.1	D839 Q845 L846 L847 V879	D839-L843 WeakPolarHBondContact O-CB 3.35Å; D839-L843 PolarHBondContact O-N 3.13Å; L843-Q845 PolarHBondContact O-N 3.5Å; L843-L846 PolarHBondContact O-N 3.1Å; L843-L847 HydrophobicContact CD1-CD1 4.49Å; L843-L847 HydrophobicContact CG-CD1 4.18Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 2.89Å; L843-V879 HydrophobicContact CD2-CG1 4.14Å
844	R	63.2	Low	57.7	Low	57 Å²	57	79.3 Å²	79.3	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-58.6	-44.1	174.2	179.9	168.1	67.2	115.2	-1.5	111.8	T840 D841 H842 L848 K874	T840-R844 WeakPolarHBondContact O-CB 3.43Å; T840-R844 PolarHBondContact O-N 3.05Å; D841-R844 PolarHBondContact O-N 2.82Å; D841-R844 IonicContact OD1-CZ 2.67Å; D841-R844 VanDerWaalsContact OD1-CZ 3.23Å; D841-R844 IonicContact OD1-NE 2.65Å; D841-R844 PolarHBondContact OD1-NE 2.83Å; D841-R844 IonicContact OD1-NH2 2.71Å; D841-R844 PolarHBondContact OD1-NH2 2.72Å; D841-R844 IonicContact OD2-NH2 2.74Å; D841-R844 PolarHBondContact OD2-NH2 3.13Å; H842-R844 PolarHBondContact O-N 3.18Å; R844-L848 WeakPolarHBondContact O-CG 3.38Å; R844-L848 PolarHBondContact O-N 3.32Å; R844-L848 VanDerWaalsContact O-N 3.17Å; R844-K874 PolarHBondContact NH1-O 3.27Å
845	Q	66.1	Low	58.7	Low	80 Å²	80	77.6 Å²	77.6	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-71.6	-34.4	177.6	-172.5	54.7	66.3	0	0	112.7	D841 H842 L843 C849	D841-Q845 WeakPolarHBondContact O-CB 3.43Å; D841-Q845 PolarHBondContact O-N 2.95Å; H842-Q845 PolarHBondContact O-N 3.26Å; L843-Q845 PolarHBondContact O-N 3.5Å; Q845-C849 PolarHBondContact NE2-SG 2.91Å; Q845-C849 VanDerWaalsContact NE2-SG 3.4Å; Q845-C849 PolarHBondContact O-N 3.39Å; Q845-C849 PolarHBondContact O-SG 3.05Å
846	L	69.1	Low	59.2	Low	93 Å²	93	74.7 Å²	74.7	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-44.3	173.5	-75.4	170.6	0	0	0	112.2	H842 L843 L848 C849 A850	H842-L846 WeakPolarHBondContact O-CB 3.15Å; H842-L846 WeakPolarHBondContact O-CG 3.22Å; H842-L846 PolarHBondContact O-N 3.42Å; L843-L846 PolarHBondContact O-N 3.1Å; L846-L848 VanDerWaalsContact C-N 3.33Å; L846-L848 PolarHBondContact O-N 3.33Å; L846-C849 PolarHBondContact O-N 2.78Å; L846-A850 PolarHBondContact O-N 3.24Å
847	L	64	Low	59.5	Low	22 Å²	22	82.8 Å²	82.8	12%	0.115	43%	0.432	C	S	.	.	H	α-helix	trans	-61.3	-40.8	175.9	-73	165.3	0	0	0	111.8	L843 A850 L851 V879 L882 L883 L886	L843-L847 HydrophobicContact CD1-CD1 4.49Å; L843-L847 HydrophobicContact CG-CD1 4.18Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 2.89Å; L847-A850 PolarHBondContact O-N 2.76Å; L847-L851 WeakPolarHBondContact O-CG 3.29Å; L847-L851 PolarHBondContact O-N 2.67Å; L847-V879 HydrophobicContact CD1-CG1 4.18Å; L847-L882 HydrophobicContact CB-CD2 4.34Å; L847-L882 HydrophobicContact CD1-CD2 4.19Å; L847-L883 HydrophobicContact CD1-CD2 3.78Å; L847-L883 HydrophobicContact CD1-CG 4.13Å; L847-L883 HydrophobicContact CD2-CD2 3.81Å; L847-L883 HydrophobicContact CG-CD2 4.46Å; L847-L886 HydrophobicContact CD2-CD2 4.13Å
848	L	65	Low	59.8	Low	5 Å²	5	84.4 Å²	84.4	3%	0.026	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-41	173.5	-72.1	170	0	0	0	112.3	R844 L846 L851 L852 A870 L873 K874	R844-L848 WeakPolarHBondContact O-CG 3.38Å; R844-L848 PolarHBondContact O-N 3.32Å; R844-L848 VanDerWaalsContact O-N 3.17Å; L846-L848 VanDerWaalsContact C-N 3.33Å; L846-L848 PolarHBondContact O-N 3.33Å; L848-L851 PolarHBondContact O-N 3.22Å; L848-L852 WeakPolarHBondContact O-CB 3.49Å; L848-L852 VanDerWaalsContact O-CG 3.27Å; L848-L852 WeakPolarHBondContact O-CG 3.48Å; L848-L852 PolarHBondContact O-N 3.22Å; L848-A870 HydrophobicContact CD2-CB 3.99Å; L848-L873 HydrophobicContact CD2-CB 3.98Å; L848-L873 HydrophobicContact CD2-CD1 3.78Å; L848-K874 HydrophobicContact CD1-CD 4.42Å; L848-K874 HydrophobicContact CD1-CG 3.81Å
849	C	66.1	Low	60.3	Low	65 Å²	65	81.4 Å²	81.4	44%	0.439	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-37.9	174.3	-71.5	0	0	0	0	112.4	Q845 L846 L852 S853	Q845-C849 PolarHBondContact NE2-SG 2.91Å; Q845-C849 VanDerWaalsContact NE2-SG 3.4Å; Q845-C849 PolarHBondContact O-N 3.39Å; Q845-C849 PolarHBondContact O-SG 3.05Å; L846-C849 PolarHBondContact O-N 2.78Å; C849-L852 PolarHBondContact O-N 3.43Å; C849-S853 VanDerWaalsContact O-CB 3.31Å; C849-S853 WeakPolarHBondContact O-CB 3.32Å; C849-S853 PolarHBondContact O-N 3.14Å
850	A	62.9	Low	60.5	Low	52 Å²	52	81.9 Å²	81.9	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-47.2	175.9	0	0	0	0	0	111.9	L846 L847 L852 S853 E854	L846-A850 PolarHBondContact O-N 3.24Å; L847-A850 PolarHBondContact O-N 2.76Å; A850-L852 VanDerWaalsContact C-N 3.31Å; A850-L852 PolarHBondContact O-N 2.75Å; A850-S853 PolarHBondContact O-N 3.23Å; A850-S853 VanDerWaalsContact O-N 3.16Å; A850-E854 PolarHBondContact O-N 2.85Å
851	L	60.2	Low	60.4	Low	7 Å²	7	81.8 Å²	81.8	4%	0.037	45%	0.448	C	S	.	.	H	α-helix	trans	-55.8	-44.4	173.6	-76.3	169.6	0	0	0	112.1	L847 L848 C855 L873 L886 L890	L847-L851 WeakPolarHBondContact O-CG 3.29Å; L847-L851 PolarHBondContact O-N 2.67Å; L848-L851 PolarHBondContact O-N 3.22Å; L851-C855 WeakPolarHBondContact O-CB 3.42Å; L851-C855 PolarHBondContact O-N 2.96Å; L851-C855 PolarHBondContact O-SG 2.89Å; L851-L873 HydrophobicContact CD1-CD1 4.06Å; L851-L886 HydrophobicContact CD1-CD1 3.8Å; L851-L886 HydrophobicContact CD2-CD1 3.88Å; L851-L886 HydrophobicContact CD2-CG 4.23Å; L851-L886 HydrophobicContact CG-CD1 3.92Å; L851-L890 HydrophobicContact CD2-CD2 4.11Å; L851-L890 HydrophobicContact CD2-CG 4.43Å
852	L	61.3	Low	60.1	Low	77 Å²	77	80 Å²	80	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-69.8	-32.4	178.4	-70.2	167.7	0	0	0	112.8	L848 C849 A850 G856 L866	L848-L852 WeakPolarHBondContact O-CB 3.49Å; L848-L852 VanDerWaalsContact O-CG 3.27Å; L848-L852 WeakPolarHBondContact O-CG 3.48Å; L848-L852 PolarHBondContact O-N 3.22Å; C849-L852 PolarHBondContact O-N 3.43Å; A850-L852 VanDerWaalsContact C-N 3.31Å; A850-L852 PolarHBondContact O-N 2.75Å; L852-G856 PolarHBondContact O-N 3.4Å; L852-L866 HydrophobicContact CD2-CB 4.07Å
853	S	62.8	Low	59.5	Low	88 Å²	88	77.1 Å²	77.1	62%	0.615	43%	0.432	S	S	*	.	H	α-helix	trans	-69.6	-49.2	178.7	-173.8	0	0	0	0	112.2	C849 A850 C855 G856	C849-S853 VanDerWaalsContact O-CB 3.31Å; C849-S853 WeakPolarHBondContact O-CB 3.32Å; C849-S853 PolarHBondContact O-N 3.14Å; A850-S853 PolarHBondContact O-N 3.23Å; A850-S853 VanDerWaalsContact O-N 3.16Å; S853-C855 PolarHBondContact O-N 3.3Å; S853-G856 PolarHBondContact O-N 2.91Å
854	E	56.6	Low	59.4	Low	154 Å²	154	78.4 Å²	78.4	72%	0.72	44%	0.439	S	S	*	.	H	α-helix	trans	-63.2	-28.3	178.7	-71.2	-57.6	126.7	0	0	112.6	A850	A850-E854 PolarHBondContact O-N 2.85Å
855	C	55.1	Low	59.1	Low	30 Å²	30	78.2 Å²	78.2	20%	0.203	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.8	-178.9	-63.3	0	0	0	0	114.1	L851 S853 R857 L862 L866 M893	L851-C855 WeakPolarHBondContact O-CB 3.42Å; L851-C855 PolarHBondContact O-N 2.96Å; L851-C855 PolarHBondContact O-SG 2.89Å; S853-C855 PolarHBondContact O-N 3.3Å; C855-R857 PolarHBondContact O-N 2.85Å; C855-L862 HydrophobicContact CB-CD2 3.59Å; C855-L866 HydrophobicContact CB-CD1 3.31Å; C855-L866 VanDerWaalsContact SG-CD1 3.55Å; C855-M893 WeakPolarHBondContact SG-CE 3.47Å
856	G	50.5	Low	58.7	Low	51 Å²	51	74.8 Å²	74.8	53%	0.526	43%	0.426	S	S	.	.			trans	-100.8	64.6	-160.3	0	0	0	0	0	116.9	L852 S853	L852-G856 PolarHBondContact O-N 3.4Å; S853-G856 PolarHBondContact O-N 2.91Å
857	R	48.4	Very low	58.3	Low	238 Å²	238	73 Å²	73	90%	0.898	42%	0.421	S	S	*	.	S	Bend	trans	-135.8	-45.4	157.9	-76.4	-162	172.2	151.7	4.3	117.6	C855	C855-R857 PolarHBondContact O-N 2.85Å
858	N	50.8	Low	58.1	Low	164 Å²	164	77.3 Å²	77.3	88%	0.877	44%	0.444	S	S	*	.	S	Bend	trans	-133.5	8.5	-160.6	-79.6	-27.8	0	0	0	118.2
859	N	57.5	Low	57.7	Low	75 Å²	75	77.8 Å²	77.8	40%	0.401	45%	0.447	S	S	.	.			trans	-137.8	110.3	-177.9	-165.3	-24.1	0	0	0	114.1	A861 L862 S863	N859-A861 PolarHBondContact OD1-N 3.38Å; N859-A861 VanDerWaalsContact OD1-N 3.15Å; N859-L862 HydrophobicContact CB-CB 4.02Å; N859-L862 PolarHBondContact OD1-N 2.86Å; N859-S863 PolarHBondContact O-N 3.17Å
860	T	58.9	Low	57.5	Low	116 Å²	116	75.5 Å²	75.5	71%	0.712	43%	0.433	S	S	*	.	H	α-helix	trans	-72.7	-34.4	-178.2	48.5	0	0	0	0	113.6	L862 S863 N864	T860-L862 VanDerWaalsContact C-N 3.33Å; T860-S863 PolarHBondContact O-N 3.29Å; T860-N864 PolarHBondContact O-N 3.19Å
861	A	56.9	Low	57.5	Low	65 Å²	65	78 Å²	78	54%	0.537	44%	0.442	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.5	0	0	0	0	0	110.9	N859 N864 L865	N859-A861 PolarHBondContact OD1-N 3.38Å; N859-A861 VanDerWaalsContact OD1-N 3.15Å; A861-N864 PolarHBondContact O-N 2.81Å; A861-L865 WeakPolarHBondContact O-CB 3.49Å; A861-L865 PolarHBondContact O-N 2.96Å
862	L	53.8	Low	57.5	Low	42 Å²	42	81.8 Å²	81.8	22%	0.22	46%	0.46	C	S	.	.	H	α-helix	trans	-67.9	-36.2	177.7	-167.9	128.3	0	0	0	112.1	C855 N859 T860 L865 L866 M893	C855-L862 HydrophobicContact CB-CD2 3.59Å; N859-L862 HydrophobicContact CB-CB 4.02Å; N859-L862 PolarHBondContact OD1-N 2.86Å; T860-L862 VanDerWaalsContact C-N 3.33Å; L862-L865 PolarHBondContact O-N 3.32Å; L862-L866 HydrophobicContact CD2-CD1 3.69Å; L862-L866 HydrophobicContact CG-CD1 4.39Å; L862-L866 WeakPolarHBondContact O-CB 3.18Å; L862-L866 WeakPolarHBondContact O-CG 3.41Å; L862-L866 PolarHBondContact O-N 3.13Å; L862-M893 HydrophobicContact CD1-CE 3.98Å; L862-M893 HydrophobicContact CD2-CE 3.87Å; L862-M893 HydrophobicContact CG-CE 4.03Å
863	S	57.2	Low	57.3	Low	60 Å²	60	78.6 Å²	78.6	42%	0.42	44%	0.443	S	S	.	.	H	α-helix	trans	-63	-43	172.1	-174.4	0	0	0	0	113	N859 T860 L866 S867	N859-S863 PolarHBondContact O-N 3.17Å; T860-S863 PolarHBondContact O-N 3.29Å; S863-L866 PolarHBondContact O-N 2.87Å; S863-S867 WeakPolarHBondContact O-CB 3.44Å; S863-S867 PolarHBondContact O-N 3.35Å; S863-S867 PolarHBondContact O-OG 2.98Å
864	N	60.9	Low	57.2	Low	105 Å²	105	79.4 Å²	79.4	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-66.7	-41.8	175.6	-71.5	-17.3	0	0	0	111.8	T860 A861 S867 N868	T860-N864 PolarHBondContact O-N 3.19Å; A861-N864 PolarHBondContact O-N 2.81Å; N864-S867 PolarHBondContact O-N 3.37Å; N864-N868 PolarHBondContact O-N 3.27Å; N864-N868 VanDerWaalsContact O-N 3.09Å; N864-N868 PolarHBondContact O-ND2 2.74Å
865	L	57	Low	57.3	Low	53 Å²	53	76.3 Å²	76.3	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-46.3	175.7	-170.4	66.4	0	0	0	111	A861 L862 S867 N868 I869 V902	A861-L865 WeakPolarHBondContact O-CB 3.49Å; A861-L865 PolarHBondContact O-N 2.96Å; L862-L865 PolarHBondContact O-N 3.32Å; L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 3.44Å; L865-N868 PolarHBondContact O-N 2.71Å; L865-I869 HydrophobicContact CD1-CD1 4.49Å; L865-I869 HydrophobicContact CG-CD1 3.96Å; L865-I869 WeakPolarHBondContact O-CB 3.49Å; L865-I869 VanDerWaalsContact O-CG1 3.25Å; L865-I869 WeakPolarHBondContact O-CG1 3.47Å; L865-I869 PolarHBondContact O-N 3.39Å; L865-V902 HydrophobicContact CD2-CB 4.07Å; L865-V902 HydrophobicContact CD2-CG1 3.83Å; L865-V902 HydrophobicContact CD2-CG2 4.37Å; L865-V902 HydrophobicContact CG-CG1 4.45Å
866	L	56.9	Low	57.4	Low	8 Å²	8	76.3 Å²	76.3	4%	0.042	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-33.3	174.6	-79.2	167.4	0	0	0	113.6	L852 C855 L862 S863 I869 A870 M893	L852-L866 HydrophobicContact CD2-CB 4.07Å; C855-L866 HydrophobicContact CB-CD1 3.31Å; C855-L866 VanDerWaalsContact SG-CD1 3.55Å; L862-L866 HydrophobicContact CD2-CD1 3.69Å; L862-L866 HydrophobicContact CG-CD1 4.39Å; L862-L866 WeakPolarHBondContact O-CB 3.18Å; L862-L866 WeakPolarHBondContact O-CG 3.41Å; L862-L866 PolarHBondContact O-N 3.13Å; S863-L866 PolarHBondContact O-N 2.87Å; L866-I869 PolarHBondContact O-N 2.98Å; L866-A870 WeakPolarHBondContact O-CB 3.44Å; L866-A870 PolarHBondContact O-N 3.29Å; L866-M893 HydrophobicContact CD1-CE 3.98Å; L866-M893 HydrophobicContact CD2-CE 3.95Å; L866-M893 HydrophobicContact CG-CE 4.1Å
867	S	61.1	Low	57.6	Low	56 Å²	56	79.1 Å²	79.1	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-41.8	176.1	-62.2	0	0	0	0	111.2	S863 N864 L865 A870 V871	S863-S867 WeakPolarHBondContact O-CB 3.44Å; S863-S867 PolarHBondContact O-N 3.35Å; S863-S867 PolarHBondContact O-OG 2.98Å; N864-S867 PolarHBondContact O-N 3.37Å; L865-S867 VanDerWaalsContact C-N 3.34Å; L865-S867 PolarHBondContact O-N 3.44Å; S867-A870 PolarHBondContact O-N 2.72Å; S867-V871 PolarHBondContact O-N 3.22Å
868	N	60.1	Low	58.2	Low	112 Å²	112	70.8 Å²	70.8	60%	0.599	41%	0.413	S	S	*	.	H	α-helix	trans	-66.6	-46.2	173.4	-66.8	-24.3	0	0	0	111.5	N864 L865 A870 V871 E872	N864-N868 PolarHBondContact O-N 3.27Å; N864-N868 VanDerWaalsContact O-N 3.09Å; N864-N868 PolarHBondContact O-ND2 2.74Å; L865-N868 PolarHBondContact O-N 2.71Å; N868-A870 VanDerWaalsContact C-N 3.29Å; N868-A870 PolarHBondContact O-N 3.15Å; N868-V871 WeakPolarHBondContact O-CB 3.46Å; N868-V871 PolarHBondContact O-N 3.08Å; N868-V871 VanDerWaalsContact O-N 3.1Å; N868-E872 PolarHBondContact O-N 2.88Å
869	I	57.7	Low	58.7	Low	16 Å²	16	64.5 Å²	64.5	8%	0.082	38%	0.38	C	S	.	.	H	α-helix	trans	-61	-37.8	176.3	-70.1	168.8	0	0	0	110.8	L865 L866 V871 E872 L873 M889 V902	L865-I869 HydrophobicContact CD1-CD1 4.49Å; L865-I869 HydrophobicContact CG-CD1 3.96Å; L865-I869 WeakPolarHBondContact O-CB 3.49Å; L865-I869 VanDerWaalsContact O-CG1 3.25Å; L865-I869 WeakPolarHBondContact O-CG1 3.47Å; L865-I869 PolarHBondContact O-N 3.39Å; L866-I869 PolarHBondContact O-N 2.98Å; I869-V871 VanDerWaalsContact C-N 3.26Å; I869-V871 PolarHBondContact O-N 3.18Å; I869-E872 PolarHBondContact O-N 3.27Å; I869-E872 VanDerWaalsContact O-N 3.12Å; I869-L873 HydrophobicContact CG2-CD1 3.64Å; I869-L873 HydrophobicContact CG2-CG 3.76Å; I869-L873 WeakPolarHBondContact O-CB 3.34Å; I869-L873 VanDerWaalsContact O-CG 3.27Å; I869-L873 WeakPolarHBondContact O-CG 3.36Å; I869-L873 PolarHBondContact O-N 3.42Å; I869-M889 HydrophobicContact CG2-CE 4.41Å; I869-V902 HydrophobicContact CD1-CG1 3.81Å
870	A	60.8	Low	58.8	Low	17 Å²	17	64 Å²	64	14%	0.14	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-23.7	177	0	0	0	0	0	113.5	L848 L866 S867 N868 K874	L848-A870 HydrophobicContact CD2-CB 3.99Å; L866-A870 WeakPolarHBondContact O-CB 3.44Å; L866-A870 PolarHBondContact O-N 3.29Å; S867-A870 PolarHBondContact O-N 2.72Å; N868-A870 VanDerWaalsContact C-N 3.29Å; N868-A870 PolarHBondContact O-N 3.15Å; A870-K874 WeakPolarHBondContact O-CB 3.4Å; A870-K874 WeakPolarHBondContact O-CD 3.41Å; A870-K874 WeakPolarHBondContact O-CG 3.34Å; A870-K874 PolarHBondContact O-N 2.82Å
871	V	64	Low	59	Low	104 Å²	104	60.4 Å²	60.4	63%	0.63	36%	0.361	S	S	*	.	H	α-helix	trans	-74.4	-43	169.1	175.8	0	0	0	0	110.6	S867 N868 I869 K874	S867-V871 PolarHBondContact O-N 3.22Å; N868-V871 WeakPolarHBondContact O-CB 3.46Å; N868-V871 PolarHBondContact O-N 3.08Å; N868-V871 VanDerWaalsContact O-N 3.1Å; I869-V871 VanDerWaalsContact C-N 3.26Å; I869-V871 PolarHBondContact O-N 3.18Å; V871-K874 WeakPolarHBondContact O-CB 3.35Å; V871-K874 PolarHBondContact O-N 2.91Å
872	E	58.4	Low	59.3	Low	86 Å²	86	57.7 Å²	57.7	40%	0.402	34%	0.337	S	S	.	.	H	α-helix	trans	-71.4	-40.8	179.3	-56.2	-132.8	135.3	0	0	112.5	N868 I869 K874 S875 M876 K910	N868-E872 PolarHBondContact O-N 2.88Å; I869-E872 PolarHBondContact O-N 3.27Å; I869-E872 VanDerWaalsContact O-N 3.12Å; E872-K874 PolarHBondContact O-N 2.93Å; E872-S875 WeakPolarHBondContact O-CA 3.44Å; E872-S875 WeakPolarHBondContact O-CB 3.5Å; E872-S875 PolarHBondContact O-N 2.84Å; E872-S875 PolarHBondContact O-OG 3.3Å; E872-M876 PolarHBondContact O-N 3.32Å; E872-K910 IonicContact OE1-NZ 3.84Å; E872-K910 PolarHBondContact OE1-NZ 2.92Å; E872-K910 WeakPolarHBondContact OE2-CE 3.42Å; E872-K910 IonicContact OE2-NZ 3.29Å; E872-K910 PolarHBondContact OE2-NZ 2.85Å
873	L	58.4	Low	59.8	Low	10 Å²	10	59.5 Å²	59.5	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-26.9	173.2	-70.2	-177.9	0	0	0	112.2	L848 L851 I869 S875 M876 L882	L848-L873 HydrophobicContact CD2-CB 3.98Å; L848-L873 HydrophobicContact CD2-CD1 3.78Å; L851-L873 HydrophobicContact CD1-CD1 4.06Å; I869-L873 HydrophobicContact CG2-CD1 3.64Å; I869-L873 HydrophobicContact CG2-CG 3.76Å; I869-L873 WeakPolarHBondContact O-CB 3.34Å; I869-L873 VanDerWaalsContact O-CG 3.27Å; I869-L873 WeakPolarHBondContact O-CG 3.36Å; I869-L873 PolarHBondContact O-N 3.42Å; L873-S875 PolarHBondContact O-N 2.93Å; L873-M876 HydrophobicContact CD2-SD 3.67Å; L873-M876 PolarHBondContact O-N 2.78Å; L873-L882 HydrophobicContact CB-CD1 4.03Å; L873-L882 HydrophobicContact CD1-CD1 4.43Å; L873-L882 HydrophobicContact CD2-CD1 3.88Å; L873-L882 HydrophobicContact CD2-CG 4.15Å; L873-L882 HydrophobicContact CG-CD1 4.33Å
874	K	60.1	Low	60	Low	106 Å²	106	63.7 Å²	63.7	46%	0.461	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14	169.8	-82.8	175.8	179.4	-174.2	0	113.5	R844 L848 A870 V871 E872	R844-K874 PolarHBondContact NH1-O 3.27Å; L848-K874 HydrophobicContact CD1-CD 4.42Å; L848-K874 HydrophobicContact CD1-CG 3.81Å; A870-K874 WeakPolarHBondContact O-CB 3.4Å; A870-K874 WeakPolarHBondContact O-CD 3.41Å; A870-K874 WeakPolarHBondContact O-CG 3.34Å; A870-K874 PolarHBondContact O-N 2.82Å; V871-K874 WeakPolarHBondContact O-CB 3.35Å; V871-K874 PolarHBondContact O-N 2.91Å; E872-K874 PolarHBondContact O-N 2.93Å
875	S	59.6	Low	60.1	Low	88 Å²	88	59.4 Å²	59.4	62%	0.615	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9.8	175.2	74.5	0	0	0	0	114.3	E872 L873 P877	E872-S875 WeakPolarHBondContact O-CA 3.44Å; E872-S875 WeakPolarHBondContact O-CB 3.5Å; E872-S875 PolarHBondContact O-N 2.84Å; E872-S875 PolarHBondContact O-OG 3.3Å; L873-S875 PolarHBondContact O-N 2.93Å; S875-P877 WeakPolarHBondContact O-CD 3.46Å
876	M	56.7	Low	60.5	Low	31 Å²	31	58.2 Å²	58.2	15%	0.153	33%	0.332	C	S	.	.			trans	-71.3	123.1	179.3	-66.7	-167.1	80.1	0	0	111.2	E872 L873 V878 T881	E872-M876 PolarHBondContact O-N 3.32Å; L873-M876 HydrophobicContact CD2-SD 3.67Å; L873-M876 PolarHBondContact O-N 2.78Å; M876-V878 VanDerWaalsContact C-N 3.27Å; M876-V878 PolarHBondContact O-N 2.87Å; M876-T881 HydrophobicContact CE-CG2 3.88Å
877	P	54.4	Low	60.8	Low	110 Å²	110	61.8 Å²	61.8	71%	0.714	36%	0.356	S	S	*	.	S	Bend	trans	-77.1	-9.2	-177.5	28.1	-32.1	0	0	0	114.2	S875	S875-P877 WeakPolarHBondContact O-CD 3.46Å
878	V	60.2	Low	61	Low	63 Å²	63	67 Å²	67	38%	0.382	37%	0.367	S	S	.	.			trans	-125	104	-169.7	-177	0	0	0	0	111.1	M876 S880 T881	M876-V878 VanDerWaalsContact C-N 3.27Å; M876-V878 PolarHBondContact O-N 2.87Å; V878-S880 VanDerWaalsContact C-N 3.28Å; V878-S880 WeakPolarHBondContact CG1-OG 3.47Å; V878-S880 PolarHBondContact O-N 3.39Å; V878-T881 VanDerWaalsContact CG1-OG1 3.25Å; V878-T881 WeakPolarHBondContact CG1-OG1 3.42Å; V878-T881 PolarHBondContact O-N 3.19Å
879	V	62.3	Low	61.1	Low	31 Å²	31	62.1 Å²	62.1	19%	0.188	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-29	180	-178.1	0	0	0	0	112	L843 L847 L882 L883	L843-V879 HydrophobicContact CD2-CG1 4.14Å; L847-V879 HydrophobicContact CD1-CG1 4.18Å; V879-L882 PolarHBondContact O-N 3.39Å; V879-L883 HydrophobicContact CG1-CD1 4.06Å; V879-L883 HydrophobicContact CG1-CG 4.33Å; V879-L883 WeakPolarHBondContact O-CG 3.31Å; V879-L883 PolarHBondContact O-N 3.06Å
880	S	60	Low	61.3	Low	65 Å²	65	64 Å²	64	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-36.4	176.6	48.2	0	0	0	0	113	V878 L882 L883 Q884	V878-S880 VanDerWaalsContact C-N 3.28Å; V878-S880 WeakPolarHBondContact CG1-OG 3.47Å; V878-S880 PolarHBondContact O-N 3.39Å; S880-L882 VanDerWaalsContact C-N 3.32Å; S880-L882 PolarHBondContact O-N 2.62Å; S880-L883 PolarHBondContact O-N 2.9Å; S880-Q884 WeakPolarHBondContact O-CB 3.32Å; S880-Q884 VanDerWaalsContact O-CG 3.27Å; S880-Q884 WeakPolarHBondContact O-CG 3.28Å; S880-Q884 PolarHBondContact O-N 3.43Å
881	T	62	Low	61.4	Low	41 Å²	41	67 Å²	67	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-42.3	173.3	-47.6	0	0	0	0	110.9	M876 V878 Q884 A885	M876-T881 HydrophobicContact CE-CG2 3.88Å; V878-T881 VanDerWaalsContact CG1-OG1 3.25Å; V878-T881 WeakPolarHBondContact CG1-OG1 3.42Å; V878-T881 PolarHBondContact O-N 3.19Å; T881-Q884 PolarHBondContact O-N 2.9Å; T881-A885 WeakPolarHBondContact O-CB 3.34Å; T881-A885 PolarHBondContact O-N 2.92Å
882	L	63.9	Low	61.2	Low	7 Å²	7	64 Å²	64	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-41.9	178	-161.9	157.9	0	0	0	111.2	L847 L873 V879 S880 A885 L886	L847-L882 HydrophobicContact CB-CD2 4.34Å; L847-L882 HydrophobicContact CD1-CD2 4.19Å; L873-L882 HydrophobicContact CB-CD1 4.03Å; L873-L882 HydrophobicContact CD1-CD1 4.43Å; L873-L882 HydrophobicContact CD2-CD1 3.88Å; L873-L882 HydrophobicContact CD2-CG 4.15Å; L873-L882 HydrophobicContact CG-CD1 4.33Å; V879-L882 PolarHBondContact O-N 3.39Å; S880-L882 VanDerWaalsContact C-N 3.32Å; S880-L882 PolarHBondContact O-N 2.62Å; L882-A885 PolarHBondContact O-N 3.04Å; L882-L886 HydrophobicContact CD2-CD1 3.83Å; L882-L886 PolarHBondContact O-N 2.78Å
883	L	63.2	Low	61.3	Low	81 Å²	81	61.8 Å²	61.8	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-38.6	173.6	-76	167.5	0	0	0	113.2	L847 V879 S880 P887	L847-L883 HydrophobicContact CD1-CD2 3.78Å; L847-L883 HydrophobicContact CD1-CG 4.13Å; L847-L883 HydrophobicContact CD2-CD2 3.81Å; L847-L883 HydrophobicContact CG-CD2 4.46Å; V879-L883 HydrophobicContact CG1-CD1 4.06Å; V879-L883 HydrophobicContact CG1-CG 4.33Å; V879-L883 WeakPolarHBondContact O-CG 3.31Å; V879-L883 PolarHBondContact O-N 3.06Å; S880-L883 PolarHBondContact O-N 2.9Å; L883-P887 WeakPolarHBondContact O-CD 3.27Å
884	Q	62.2	Low	61.2	Low	148 Å²	148	66.4 Å²	66.4	69%	0.692	37%	0.374	S	S	*	.	H	α-helix	trans	-70.6	-34.7	176.4	-74.7	172.8	-3	0	0	112.3	S880 T881	S880-Q884 WeakPolarHBondContact O-CB 3.32Å; S880-Q884 VanDerWaalsContact O-CG 3.27Å; S880-Q884 WeakPolarHBondContact O-CG 3.28Å; S880-Q884 PolarHBondContact O-N 3.43Å; T881-Q884 PolarHBondContact O-N 2.9Å
885	A	63	Low	61	Low	15 Å²	15	65.4 Å²	65.4	12%	0.124	38%	0.38	C	S	.	.	H	α-helix	trans	-74	-33.9	177	0	0	0	0	0	113.1	T881 L882 R888 M889 L909	T881-A885 WeakPolarHBondContact O-CB 3.34Å; T881-A885 PolarHBondContact O-N 2.92Å; L882-A885 PolarHBondContact O-N 3.04Å; A885-R888 PolarHBondContact O-N 2.79Å; A885-M889 HydrophobicContact CB-CG 4.43Å; A885-M889 HydrophobicContact CB-SD 4.04Å; A885-M889 WeakPolarHBondContact O-CG 3.47Å; A885-M889 PolarHBondContact O-N 3.22Å; A885-L909 HydrophobicContact CB-CD1 4.38Å; A885-L909 HydrophobicContact CB-CD2 3.84Å
886	L	65.6	Low	60.8	Low	27 Å²	27	63.2 Å²	63.2	14%	0.141	37%	0.365	C	S	.	.	H	α-helix	trans	-48.8	-48.5	-170	-144.7	88.9	0	0	0	114.9	L847 L851 L882 R888 M889 L890	L847-L886 HydrophobicContact CD2-CD2 4.13Å; L851-L886 HydrophobicContact CD1-CD1 3.8Å; L851-L886 HydrophobicContact CD2-CD1 3.88Å; L851-L886 HydrophobicContact CD2-CG 4.23Å; L851-L886 HydrophobicContact CG-CD1 3.92Å; L882-L886 HydrophobicContact CD2-CD1 3.83Å; L882-L886 PolarHBondContact O-N 2.78Å; L886-R888 VanDerWaalsContact C-N 3.31Å; L886-R888 PolarHBondContact O-N 2.78Å; L886-M889 PolarHBondContact O-N 2.81Å; L886-L890 HydrophobicContact CD2-CD1 4.25Å; L886-L890 HydrophobicContact CG-CD1 4.31Å; L886-L890 WeakPolarHBondContact O-CB 3.44Å; L886-L890 WeakPolarHBondContact O-CG 3.37Å; L886-L890 PolarHBondContact O-N 3.17Å
887	P	64.3	Low	60.7	Low	83 Å²	83	69.6 Å²	69.6	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-34	-177.2	-20	34	0	0	0	112.5	L883 S891	L883-P887 WeakPolarHBondContact O-CD 3.27Å; P887-S891 VanDerWaalsContact O-CB 3.27Å; P887-S891 WeakPolarHBondContact O-CB 2.95Å; P887-S891 PolarHBondContact O-N 3.26Å
888	R	64.5	Low	60.9	Low	167 Å²	167	67.8 Å²	67.8	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-75.2	-37.5	177.7	-169.2	172.9	178.5	-172.2	-4.8	111.3	A885 L886 L892	A885-R888 PolarHBondContact O-N 2.79Å; L886-R888 VanDerWaalsContact C-N 3.31Å; L886-R888 PolarHBondContact O-N 2.78Å; R888-L892 HydrophobicContact CG-CD1 4.19Å; R888-L892 WeakPolarHBondContact O-CB 3.37Å; R888-L892 WeakPolarHBondContact O-CD1 3.34Å; R888-L892 VanDerWaalsContact O-CG 3.26Å; R888-L892 WeakPolarHBondContact O-CG 3.35Å; R888-L892 PolarHBondContact O-N 2.85Å; R888-L892 VanDerWaalsContact O-N 3.09Å
889	M	61.7	Low	60.8	Low	9 Å²	9	68.4 Å²	68.4	4%	0.044	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-53.4	171.1	-68.6	175.4	70.9	0	0	110.9	I869 A885 L886 S891 L892 M893 L905 L909	I869-M889 HydrophobicContact CG2-CE 4.41Å; A885-M889 HydrophobicContact CB-CG 4.43Å; A885-M889 HydrophobicContact CB-SD 4.04Å; A885-M889 WeakPolarHBondContact O-CG 3.47Å; A885-M889 PolarHBondContact O-N 3.22Å; L886-M889 PolarHBondContact O-N 2.81Å; M889-S891 PolarHBondContact O-N 2.89Å; M889-L892 PolarHBondContact O-N 3.03Å; M889-M893 WeakPolarHBondContact O-CB 3.31Å; M889-M893 VanDerWaalsContact O-CG 3.25Å; M889-M893 WeakPolarHBondContact O-CG 3.37Å; M889-M893 PolarHBondContact O-N 3.43Å; M889-L905 HydrophobicContact CG-CD2 3.67Å; M889-L909 HydrophobicContact SD-CD1 4.46Å
890	L	62.2	Low	60.8	Low	56 Å²	56	71.5 Å²	71.5	29%	0.293	41%	0.407	S	S	.	.	H	α-helix	trans	-57.7	-48.9	178.7	-71	166.8	0	0	0	111.4	L851 L886 L892 M893 S894	L851-L890 HydrophobicContact CD2-CD2 4.11Å; L851-L890 HydrophobicContact CD2-CG 4.43Å; L886-L890 HydrophobicContact CD2-CD1 4.25Å; L886-L890 HydrophobicContact CG-CD1 4.31Å; L886-L890 WeakPolarHBondContact O-CB 3.44Å; L886-L890 WeakPolarHBondContact O-CG 3.37Å; L886-L890 PolarHBondContact O-N 3.17Å; L890-L892 PolarHBondContact O-N 3.02Å; L890-M893 PolarHBondContact O-N 3.17Å; L890-S894 PolarHBondContact O-N 3.39Å; L890-S894 PolarHBondContact O-OG 2.94Å
891	S	63.8	Low	60.9	Low	78 Å²	78	71.5 Å²	71.5	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-40.4	179.2	178.5	0	0	0	0	113.8	P887 M889 S895	P887-S891 VanDerWaalsContact O-CB 3.27Å; P887-S891 WeakPolarHBondContact O-CB 2.95Å; P887-S891 PolarHBondContact O-N 3.26Å; M889-S891 PolarHBondContact O-N 2.89Å; S891-S895 PolarHBondContact O-OG 2.87Å
892	L	59.8	Low	60.8	Low	43 Å²	43	70.7 Å²	70.7	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-70.9	-37.1	176.7	-71	168.7	0	0	0	112.3	R888 M889 L890 S895 S896 L901 L905	R888-L892 HydrophobicContact CG-CD1 4.19Å; R888-L892 WeakPolarHBondContact O-CB 3.37Å; R888-L892 WeakPolarHBondContact O-CD1 3.34Å; R888-L892 VanDerWaalsContact O-CG 3.26Å; R888-L892 WeakPolarHBondContact O-CG 3.35Å; R888-L892 PolarHBondContact O-N 2.85Å; R888-L892 VanDerWaalsContact O-N 3.09Å; M889-L892 PolarHBondContact O-N 3.03Å; L890-L892 PolarHBondContact O-N 3.02Å; L892-S895 PolarHBondContact O-N 3.43Å; L892-S895 PolarHBondContact O-OG 2.68Å; L892-S896 PolarHBondContact O-N 2.97Å; L892-S896 PolarHBondContact O-OG 3.45Å; L892-S896 VanDerWaalsContact O-OG 3.09Å; L892-L901 HydrophobicContact CD1-CD2 4.28Å; L892-L901 HydrophobicContact CD2-CD2 4.12Å; L892-L905 HydrophobicContact CD1-CD1 4.5Å; L892-L905 HydrophobicContact CD1-CD2 4.12Å
893	M	58.6	Low	60.7	Low	38 Å²	38	73 Å²	73	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-72.6	-27	177.4	-69.4	177.4	68.7	0	0	113.2	C855 L862 L866 M889 L890 S895	C855-M893 WeakPolarHBondContact SG-CE 3.47Å; L862-M893 HydrophobicContact CD1-CE 3.98Å; L862-M893 HydrophobicContact CD2-CE 3.87Å; L862-M893 HydrophobicContact CG-CE 4.03Å; L866-M893 HydrophobicContact CD1-CE 3.98Å; L866-M893 HydrophobicContact CD2-CE 3.95Å; L866-M893 HydrophobicContact CG-CE 4.1Å; M889-M893 WeakPolarHBondContact O-CB 3.31Å; M889-M893 VanDerWaalsContact O-CG 3.25Å; M889-M893 WeakPolarHBondContact O-CG 3.37Å; M889-M893 PolarHBondContact O-N 3.43Å; L890-M893 PolarHBondContact O-N 3.17Å; M893-S895 VanDerWaalsContact C-N 3.26Å; M893-S895 PolarHBondContact O-N 2.96Å
894	S	58.2	Low	60.8	Low	107 Å²	107	77.5 Å²	77.5	75%	0.748	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.6	172.6	-56.1	0	0	0	0	114.2	L890	L890-S894 PolarHBondContact O-N 3.39Å; L890-S894 PolarHBondContact O-OG 2.94Å
895	S	55.8	Low	60.8	Low	86 Å²	86	71.6 Å²	71.6	60%	0.601	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-3.1	-163.2	56.8	0	0	0	0	116.3	S891 L892 M893	S891-S895 PolarHBondContact O-OG 2.87Å; L892-S895 PolarHBondContact O-N 3.43Å; L892-S895 PolarHBondContact O-OG 2.68Å; M893-S895 VanDerWaalsContact C-N 3.26Å; M893-S895 PolarHBondContact O-N 2.96Å
896	S	54.4	Low	60.7	Low	42 Å²	42	72.4 Å²	72.4	29%	0.294	40%	0.399	S	S	.	.			trans	-149.3	145.1	-179.1	65.3	0	0	0	0	114.3	L892 D898	L892-S896 PolarHBondContact O-N 2.97Å; L892-S896 PolarHBondContact O-OG 3.45Å; L892-S896 VanDerWaalsContact O-OG 3.09Å; S896-D898 PolarHBondContact O-N 2.95Å
897	N	55.5	Low	60.8	Low	164 Å²	164	77.9 Å²	77.9	88%	0.877	42%	0.422	S	S	*	.			trans	-86.1	19.8	165.5	-78.7	-34.3	0	0	0	111.7	S899	N897-S899 PolarHBondContact O-N 3.06Å
898	D	58.4	Low	60.7	Low	72 Å²	72	79.1 Å²	79.1	39%	0.385	42%	0.421	S	S	.	.			trans	-93.9	97.8	-166.5	-171.4	-18.4	0	0	0	111.7	S896 D900 L901	S896-D898 PolarHBondContact O-N 2.95Å; D898-D900 VanDerWaalsContact C-N 3.26Å; D898-D900 PolarHBondContact O-N 3.42Å; D898-D900 WeakPolarHBondContact OD1-CA 3.36Å; D898-D900 WeakPolarHBondContact OD1-CB 3.26Å; D898-D900 PolarHBondContact OD1-N 3.33Å; D898-L901 HydrophobicContact CB-CB 3.98Å; D898-L901 HydrophobicContact CB-CD1 4.42Å; D898-L901 PolarHBondContact O-N 2.84Å; D898-L901 PolarHBondContact OD1-N 3.4Å; D898-L901 VanDerWaalsContact OD1-N 3.09Å
899	S	58.5	Low	60.4	Low	76 Å²	76	72.7 Å²	72.7	53%	0.531	40%	0.399	S	S	.	.	H	α-helix	trans	-66	-25.8	177.7	53	0	0	0	0	113.8	N897 T903	N897-S899 PolarHBondContact O-N 3.06Å; S899-T903 WeakPolarHBondContact O-CB 3.36Å; S899-T903 PolarHBondContact O-N 3.15Å; S899-T903 VanDerWaalsContact O-N 3.08Å; S899-T903 PolarHBondContact O-OG1 3.16Å
900	D	62.4	Low	60.3	Low	97 Å²	97	76.7 Å²	76.7	52%	0.519	42%	0.416	S	S	.	.	H	α-helix	trans	-73.3	-36.6	178.8	-104.2	32.6	0	0	0	110.6	D898 T903 R904	D898-D900 VanDerWaalsContact C-N 3.26Å; D898-D900 PolarHBondContact O-N 3.42Å; D898-D900 WeakPolarHBondContact OD1-CA 3.36Å; D898-D900 WeakPolarHBondContact OD1-CB 3.26Å; D898-D900 PolarHBondContact OD1-N 3.33Å; D900-T903 PolarHBondContact O-N 3.37Å; D900-R904 VanDerWaalsContact O-CG 3.3Å; D900-R904 WeakPolarHBondContact O-CG 3.48Å; D900-R904 PolarHBondContact O-N 3.36Å
901	L	61.8	Low	60.2	Low	65 Å²	65	82.2 Å²	82.2	34%	0.34	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-45.6	176.7	-134.2	170.3	0	0	0	111.7	L892 D898 R904 L905	L892-L901 HydrophobicContact CD1-CD2 4.28Å; L892-L901 HydrophobicContact CD2-CD2 4.12Å; D898-L901 HydrophobicContact CB-CB 3.98Å; D898-L901 HydrophobicContact CB-CD1 4.42Å; D898-L901 PolarHBondContact O-N 2.84Å; D898-L901 PolarHBondContact OD1-N 3.4Å; D898-L901 VanDerWaalsContact OD1-N 3.09Å; L901-R904 PolarHBondContact O-N 3.14Å; L901-L905 PolarHBondContact O-N 2.95Å; L901-L905 VanDerWaalsContact O-N 3.13Å
902	V	58.7	Low	59.7	Low	23 Å²	23	87 Å²	87	14%	0.139	44%	0.44	C	S	.	.	H	α-helix	trans	-65.4	-42.6	174.4	-174.3	0	0	0	0	110.9	L865 I869 R904 L905 C906	L865-V902 HydrophobicContact CD2-CB 4.07Å; L865-V902 HydrophobicContact CD2-CG1 3.83Å; L865-V902 HydrophobicContact CD2-CG2 4.37Å; L865-V902 HydrophobicContact CG-CG1 4.45Å; I869-V902 HydrophobicContact CD1-CG1 3.81Å; V902-R904 VanDerWaalsContact C-N 3.29Å; V902-R904 PolarHBondContact O-N 2.81Å; V902-L905 PolarHBondContact O-N 3.22Å; V902-L905 VanDerWaalsContact O-N 3.17Å; V902-C906 PolarHBondContact O-N 3.01Å; V902-C906 PolarHBondContact O-SG 3.49Å; V902-C906 VanDerWaalsContact O-SG 3.4Å
903	T	62.9	Low	59.4	Low	57 Å²	57	86.5 Å²	86.5	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-34.8	178.7	-60.2	0	0	0	0	112.5	S899 D900 K907	S899-T903 WeakPolarHBondContact O-CB 3.36Å; S899-T903 PolarHBondContact O-N 3.15Å; S899-T903 VanDerWaalsContact O-N 3.08Å; S899-T903 PolarHBondContact O-OG1 3.16Å; D900-T903 PolarHBondContact O-N 3.37Å; T903-K907 WeakPolarHBondContact O-CG 3.4Å; T903-K907 PolarHBondContact O-N 3.3Å
904	R	64.9	Low	59.2	Low	175 Å²	175	89.6 Å²	89.6	66%	0.66	46%	0.46	S	S	*	.	H	α-helix	trans	-66.1	-48.1	172	-74	171.5	-176.2	-162.9	2.1	111.5	D900 L901 V902 C906 K907 E908	D900-R904 VanDerWaalsContact O-CG 3.3Å; D900-R904 WeakPolarHBondContact O-CG 3.48Å; D900-R904 PolarHBondContact O-N 3.36Å; L901-R904 PolarHBondContact O-N 3.14Å; V902-R904 VanDerWaalsContact C-N 3.29Å; V902-R904 PolarHBondContact O-N 2.81Å; R904-C906 VanDerWaalsContact C-N 3.32Å; R904-C906 PolarHBondContact O-N 2.82Å; R904-K907 PolarHBondContact O-N 3.4Å; R904-K907 VanDerWaalsContact O-N 3.11Å; R904-E908 PolarHBondContact O-N 2.8Å
905	L	62.8	Low	59	Low	24 Å²	24	89.8 Å²	89.8	13%	0.126	45%	0.452	C	S	.	.	H	α-helix	trans	-58.4	-42.2	-179.9	-166.6	73.6	0	0	0	112.1	M889 L892 L901 V902 K907 E908 L909	M889-L905 HydrophobicContact CG-CD2 3.67Å; L892-L905 HydrophobicContact CD1-CD1 4.5Å; L892-L905 HydrophobicContact CD1-CD2 4.12Å; L901-L905 PolarHBondContact O-N 2.95Å; L901-L905 VanDerWaalsContact O-N 3.13Å; V902-L905 PolarHBondContact O-N 3.22Å; V902-L905 VanDerWaalsContact O-N 3.17Å; L905-K907 PolarHBondContact O-N 3.35Å; L905-E908 PolarHBondContact O-N 2.86Å; L905-L909 HydrophobicContact CG-CD1 4.47Å; L905-L909 WeakPolarHBondContact O-CG 3.39Å; L905-L909 PolarHBondContact O-N 2.81Å
906	C	60.7	Low	58.7	Low	31 Å²	31	91.8 Å²	91.8	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-63	-39.4	176.1	-66	0	0	0	0	113	V902 R904 K910	V902-C906 PolarHBondContact O-N 3.01Å; V902-C906 PolarHBondContact O-SG 3.49Å; V902-C906 VanDerWaalsContact O-SG 3.4Å; R904-C906 VanDerWaalsContact C-N 3.32Å; R904-C906 PolarHBondContact O-N 2.82Å; C906-K910 PolarHBondContact O-N 3Å
907	K	66.1	Low	58.4	Low	142 Å²	142	95.3 Å²	95.3	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-66.5	-37.9	174.9	-71.6	174.1	179.8	177.2	0	112.1	T903 R904 L905 K910 R911	T903-K907 WeakPolarHBondContact O-CG 3.4Å; T903-K907 PolarHBondContact O-N 3.3Å; R904-K907 PolarHBondContact O-N 3.4Å; R904-K907 VanDerWaalsContact O-N 3.11Å; L905-K907 PolarHBondContact O-N 3.35Å; K907-K910 PolarHBondContact O-N 3.21Å; K907-R911 PolarHBondContact O-N 2.85Å; K907-R911 VanDerWaalsContact O-N 3.12Å
908	E	62.3	Low	58.2	Low	109 Å²	109	94.1 Å²	94.1	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-69.6	-42.6	-179.2	-162.2	159.7	-139.6	0	0	111.6	R904 L905 K910 R911 Y912	R904-E908 PolarHBondContact O-N 2.8Å; L905-E908 PolarHBondContact O-N 2.86Å; E908-K910 VanDerWaalsContact C-N 3.27Å; E908-K910 PolarHBondContact O-N 3.39Å; E908-R911 PolarHBondContact O-N 2.91Å; E908-Y912 PolarHBondContact O-N 3.13Å; E908-Y912 VanDerWaalsContact O-N 3.13Å
909	L	59.3	Low	58.3	Low	32 Å²	32	93.6 Å²	93.6	17%	0.168	47%	0.467	C	S	.	.	H	α-helix	trans	-60	-35	170.7	-71.5	170	0	0	0	112.9	A885 M889 L905 A913	A885-L909 HydrophobicContact CB-CD1 4.38Å; A885-L909 HydrophobicContact CB-CD2 3.84Å; M889-L909 HydrophobicContact SD-CD1 4.46Å; L905-L909 HydrophobicContact CG-CD1 4.47Å; L905-L909 WeakPolarHBondContact O-CG 3.39Å; L905-L909 PolarHBondContact O-N 2.81Å; L909-A913 PolarHBondContact O-N 3.32Å
910	K	59.2	Low	58.9	Low	94 Å²	94	92.7 Å²	92.7	41%	0.409	46%	0.456	S	S	.	.	H	α-helix	trans	-68.1	-45.9	177.4	-130.4	166.3	-173.6	164.3	0	112.1	E872 C906 K907 E908 Y912 A913 D914	E872-K910 IonicContact OE1-NZ 3.84Å; E872-K910 PolarHBondContact OE1-NZ 2.92Å; E872-K910 WeakPolarHBondContact OE2-CE 3.42Å; E872-K910 IonicContact OE2-NZ 3.29Å; E872-K910 PolarHBondContact OE2-NZ 2.85Å; C906-K910 PolarHBondContact O-N 3Å; K907-K910 PolarHBondContact O-N 3.21Å; E908-K910 VanDerWaalsContact C-N 3.27Å; E908-K910 PolarHBondContact O-N 3.39Å; K910-Y912 VanDerWaalsContact C-N 3.34Å; K910-Y912 PolarHBondContact O-N 3.33Å; K910-A913 WeakPolarHBondContact O-CA 3.47Å; K910-A913 WeakPolarHBondContact O-CB 3.46Å; K910-A913 PolarHBondContact O-N 3.17Å; K910-D914 PolarHBondContact O-N 3.29Å
911	R	61	Low	59.5	Low	171 Å²	171	89.2 Å²	89.2	65%	0.645	44%	0.438	S	S	*	.	H	α-helix	trans	-59.1	-44	175.2	-69.1	-173.2	66.1	-176.2	-0.3	112.3	K907 E908 A913 D914 D915	K907-R911 PolarHBondContact O-N 2.85Å; K907-R911 VanDerWaalsContact O-N 3.12Å; E908-R911 PolarHBondContact O-N 2.91Å; R911-A913 PolarHBondContact O-N 3.47Å; R911-D914 PolarHBondContact O-N 2.9Å; R911-D914 VanDerWaalsContact O-N 3.13Å; R911-D915 WeakPolarHBondContact O-CB 3.1Å; R911-D915 PolarHBondContact O-N 3.22Å
912	Y	53.5	Low	60	Low	180 Å²	180	90.1 Å²	90.1	71%	0.706	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-24.3	174	-97.2	-77.3	0	0	0	114	E908 K910	E908-Y912 PolarHBondContact O-N 3.13Å; E908-Y912 VanDerWaalsContact O-N 3.13Å; K910-Y912 VanDerWaalsContact C-N 3.34Å; K910-Y912 PolarHBondContact O-N 3.33Å
913	A	52.2	Low	61.1	Low	32 Å²	32	89.8 Å²	89.8	26%	0.264	46%	0.456	S	S	.	.	H	α-helix	trans	-85	-31.2	174	0	0	0	0	0	113.1	L909 K910 R911 L917	L909-A913 PolarHBondContact O-N 3.32Å; K910-A913 WeakPolarHBondContact O-CA 3.47Å; K910-A913 WeakPolarHBondContact O-CB 3.46Å; K910-A913 PolarHBondContact O-N 3.17Å; R911-A913 PolarHBondContact O-N 3.47Å; A913-L917 VanDerWaalsContact O-CD1 3.23Å; A913-L917 WeakPolarHBondContact O-CD1 3.27Å
914	D	54	Low	62.2	Low	103 Å²	103	89.4 Å²	89.4	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-82.1	-39	-178.3	-72.5	-39.5	0	0	0	113.5	K910 R911 D916	K910-D914 PolarHBondContact O-N 3.29Å; R911-D914 PolarHBondContact O-N 2.9Å; R911-D914 VanDerWaalsContact O-N 3.13Å; D914-D916 PolarHBondContact O-N 3.37Å
915	D	54	Low	63.1	Low	110 Å²	110	86 Å²	86	59%	0.588	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.9	-171.6	-79.6	-40.5	0	0	0	113.2	R911	R911-D915 WeakPolarHBondContact O-CB 3.1Å; R911-D915 PolarHBondContact O-N 3.22Å
916	D	49.5	Very low	64.2	Low	129 Å²	129	87.8 Å²	87.8	69%	0.69	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.9	-173.6	-148.3	-1.2	0	0	0	113.4	D914 K948	D914-D916 PolarHBondContact O-N 3.37Å; D916-K948 PolarHBondContact O-NZ 3.12Å
917	L	48.7	Very low	65.3	Low	115 Å²	115	87.6 Å²	87.6	60%	0.602	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-45.1	-173.3	-88.6	84.9	0	0	0	113.6	A913 K948	A913-L917 VanDerWaalsContact O-CD1 3.23Å; A913-L917 WeakPolarHBondContact O-CD1 3.27Å; L917-K948 PolarHBondContact O-NZ 3.45Å
918	N	51.8	Low	66	Low	140 Å²	140	83.5 Å²	83.5	75%	0.749	45%	0.446	S	S	*	.	S	Bend	trans	-103.8	-3.6	-145.1	-71.1	-59.8	0	0	0	118.2
919	S	60.6	Low	67	Low	61 Å²	61	80.7 Å²	80.7	43%	0.427	44%	0.435	S	S	.	.			trans	-101.1	150.6	178.3	63.9	0	0	0	0	113.8	K948	S919-K948 WeakPolarHBondContact O-CE 3.44Å; S919-K948 PolarHBondContact O-NZ 2.91Å
920	L	71	Confident	68	Low	57 Å²	57	85.4 Å²	85.4	30%	0.298	47%	0.47	S	S	.	.			trans	-140.2	153.3	171.5	-78.7	175.8	0	0	0	109.4	Y936 K948	L920-Y936 HydrophobicContact CD1-CD1 4.27Å; L920-Y936 HydrophobicContact CD1-CE1 4.48Å; L920-Y936 HydrophobicContact CD2-CD1 3.81Å; L920-Y936 HydrophobicContact CD2-CE1 3.9Å; L920-K948 HydrophobicContact CD2-CG 3.93Å
921	P	73.9	Confident	68.7	Low	24 Å²	24	86.2 Å²	86.2	16%	0.156	48%	0.483	C	S	.	.			trans	-71.2	164.1	176.5	-8.6	24.3	0	0	0	112.1	W924 P949 L950 I951	P921-W924 WeakPolarHBondContact O-CB 3.36Å; P921-W924 PolarHBondContact O-N 2.82Å; P921-P949 WeakPolarHBondContact CD-O 3.46Å; P921-P949 HydrophobicContact CG-CB 3.99Å; P921-L950 VanDerWaalsContact CG-O 3.27Å; P921-L950 WeakPolarHBondContact CG-O 3.37Å; P921-I951 HydrophobicContact CB-CG1 4.17Å; P921-I951 HydrophobicContact CG-CG1 3.84Å
922	A	73.9	Confident	69.1	Low	83 Å²	83	80.6 Å²	80.6	69%	0.686	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	149.3	176.4	0	0	0	0	0	112.3	W924	A922-W924 PolarHBondContact O-N 2.78Å
923	G	80.6	Confident	69.9	Low	17 Å²	17	79.4 Å²	79.4	18%	0.175	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-30.3	-173.2	0	0	0	0	0	115	N938 K939 E940	G923-N938 WeakPolarHBondContact O-CA 3.49Å; G923-K939 PolarHBondContact O-N 3.4Å; G923-E940 WeakPolarHBondContact CA-OE1 3.47Å
924	W	86.8	Confident	71.1	Confident	48 Å²	48	82 Å²	82	18%	0.182	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	146.5	-176	-68.5	94.5	0	0	0	114.3	P921 A922 Y937 N938 S943 Q945 P949	P921-W924 WeakPolarHBondContact O-CB 3.36Å; P921-W924 PolarHBondContact O-N 2.82Å; A922-W924 PolarHBondContact O-N 2.78Å; W924-Y937 CarbonylContact C-O 3.58Å; W924-Y937 WeakPolarHBondContact CA-O 3.32Å; W924-Y937 VanDerWaalsContact CE3-C 3.41Å; W924-N938 HydrophobicContact CD2-CB 3.67Å; W924-N938 HydrophobicContact CE3-CB 3.73Å; W924-N938 HydrophobicContact CG-CB 4.25Å; W924-N938 HydrophobicContact CH2-CB 4.17Å; W924-N938 HydrophobicContact CZ2-CB 4.1Å; W924-N938 HydrophobicContact CZ3-CB 3.97Å; W924-N938 PolarHBondContact NE1-ND2 2.93Å; W924-S943 VanDerWaalsContact CH2-OG 3.25Å; W924-S943 WeakPolarHBondContact CH2-OG 3.27Å; W924-Q945 HydrophobicContact CH2-CG 3.9Å; W924-Q945 VanDerWaalsContact CH2-OE1 3.27Å; W924-Q945 HydrophobicContact CZ3-CG 3.8Å; W924-P949 HydrophobicContact CB-CG 4.2Å; W924-P949 HydrophobicContact CD2-CB 3.67Å; W924-P949 HydrophobicContact CD2-CG 3.3Å; W924-P949 HydrophobicContact CE3-CB 4.16Å; W924-P949 HydrophobicContact CE3-CG 3.3Å; W924-P949 HydrophobicContact CG-CB 3.86Å; W924-P949 HydrophobicContact CG-CG 3.75Å; W924-P949 HydrophobicContact CH2-CG 4.18Å; W924-P949 HydrophobicContact CZ2-CB 4.21Å; W924-P949 HydrophobicContact CZ2-CG 4.2Å; W924-P949 HydrophobicContact CZ3-CG 3.77Å
925	K	83.6	Confident	72.7	Confident	105 Å²	105	80.3 Å²	80.3	46%	0.457	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.5	172.9	-64.1	-164.2	178.1	-130.6	0	110.7	Y936 Y937 K939	K925-Y936 CarbonylContact O-C 3.6Å; K925-Y936 VanDerWaalsContact O-CA 3.3Å; K925-Y936 WeakPolarHBondContact O-CA 3.44Å; K925-Y937 HydrophobicContact CB-CD1 4.31Å; K925-Y937 HydrophobicContact CB-CE1 3.7Å; K925-Y937 HydrophobicContact CB-CE2 4.19Å; K925-Y937 PolarHBondContact N-O 3.33Å; K925-Y937 WeakPolarHBondContact O-CD1 3.4Å; K925-Y937 PolarHBondContact O-N 3.27Å; K925-K939 HydrophobicContact CD-CD 4.36Å
926	S	85.2	Confident	74.4	Confident	60 Å²	60	76.7 Å²	76.7	42%	0.42	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	155.5	167	51.5	0	0	0	0	111.7	Y935	S926-Y935 WeakPolarHBondContact CA-O 3.31Å
927	A	83.5	Confident	76.3	Confident	28 Å²	28	73.7 Å²	73.7	23%	0.231	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	169.4	163.9	0	0	0	0	0	108.8	L934 Y935 Y937	A927-L934 CarbonylContact O-C 3.55Å; A927-L934 WeakPolarHBondContact O-CA 3.49Å; A927-Y935 HydrophobicContact CB-CE1 3.88Å; A927-Y935 HydrophobicContact CB-CE2 3.86Å; A927-Y935 VanDerWaalsContact CB-CZ 3.49Å; A927-Y935 PolarHBondContact N-O 3.06Å; A927-Y935 PolarHBondContact O-N 3.36Å; A927-Y935 VanDerWaalsContact O-O 3.08Å; A927-Y937 HydrophobicContact CB-CD1 4.26Å; A927-Y937 HydrophobicContact CB-CE1 3.86Å
928	A	82.4	Confident	78.1	Confident	55 Å²	55	68.9 Å²	68.9	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.8	173.3	0	0	0	0	0	110.5	R933	A928-R933 WeakPolarHBondContact CA-O 3.47Å
929	D	82.1	Confident	79.6	Confident	50 Å²	50	68.5 Å²	68.5	27%	0.267	39%	0.392	S	S	.	.			trans	-78.6	-179.6	168.4	74.5	10.1	0	0	0	111.9	T931 G932 R933 Y935 W946	D929-T931 PolarHBondContact O-N 3.31Å; D929-T931 VanDerWaalsContact O-N 3.13Å; D929-T931 VanDerWaalsContact OD1-CA 3.28Å; D929-T931 WeakPolarHBondContact OD1-CA 3.44Å; D929-T931 WeakPolarHBondContact OD1-CB 3.46Å; D929-T931 PolarHBondContact OD1-N 2.78Å; D929-T931 PolarHBondContact OD1-OG1 3.5Å; D929-T931 PolarHBondContact OD2-OG1 2.99Å; D929-G932 PolarHBondContact O-N 2.67Å; D929-G932 PolarHBondContact OD1-N 3.35Å; D929-G932 VanDerWaalsContact OD1-N 3.13Å; D929-R933 PolarHBondContact N-O 3.39Å; D929-R933 WeakPolarHBondContact OD1-CB 3.5Å; D929-R933 PolarHBondContact OD1-N 3.12Å; D929-Y935 HydrophobicContact CB-CE1 4.5Å; D929-W946 HydrophobicContact CB-CH2 4.47Å
930	S	80.1	Confident	80.5	Confident	131 Å²	131	72.9 Å²	72.9	92%	0.916	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.7	178.4	52.9	0	0	0	0	114.7
931	T	73.7	Confident	81.1	Confident	111 Å²	111	74.5 Å²	74.5	68%	0.681	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.5	172	77	0	0	0	0	112.7	D929	D929-T931 PolarHBondContact O-N 3.31Å; D929-T931 VanDerWaalsContact O-N 3.13Å; D929-T931 VanDerWaalsContact OD1-CA 3.28Å; D929-T931 WeakPolarHBondContact OD1-CA 3.44Å; D929-T931 WeakPolarHBondContact OD1-CB 3.46Å; D929-T931 PolarHBondContact OD1-N 2.78Å; D929-T931 PolarHBondContact OD1-OG1 3.5Å; D929-T931 PolarHBondContact OD2-OG1 2.99Å
932	G	70.3	Confident	81.5	Confident	53 Å²	53	79.9 Å²	79.9	55%	0.546	45%	0.446	S	S	.	.	S	Bend	trans	85	5.7	-174.6	0	0	0	0	0	114	D929	D929-G932 PolarHBondContact O-N 2.67Å; D929-G932 PolarHBondContact OD1-N 3.35Å; D929-G932 VanDerWaalsContact OD1-N 3.13Å
933	R	69.9	Low	81.9	Confident	156 Å²	156	78.1 Å²	78.1	59%	0.589	43%	0.429	S	S	*	.			trans	-78.7	125.3	-178.4	-169.2	-179.9	-176.3	174.7	1.9	110.2	A928 D929 W946	A928-R933 WeakPolarHBondContact CA-O 3.47Å; D929-R933 PolarHBondContact N-O 3.39Å; D929-R933 WeakPolarHBondContact OD1-CB 3.5Å; D929-R933 PolarHBondContact OD1-N 3.12Å; R933-W946 HydrophobicContact CB-CZ3 4.09Å; R933-W946 HydrophobicContact CG-CE3 4.08Å; R933-W946 HydrophobicContact CG-CZ3 3.71Å
934	L	78.4	Confident	82.2	Confident	87 Å²	87	82 Å²	82	46%	0.455	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.5	177.1	-111.4	77.7	0	0	0	111.8	A927 Y936	A927-L934 CarbonylContact O-C 3.55Å; A927-L934 WeakPolarHBondContact O-CA 3.49Å; L934-Y936 HydrophobicContact CD2-CE1 4.41Å
935	Y	86.7	Confident	82.1	Confident	67 Å²	67	83 Å²	83	26%	0.263	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	162.5	163	66.6	-90.8	0	0	0	109.7	S926 A927 D929 Y937 V944	S926-Y935 WeakPolarHBondContact CA-O 3.31Å; A927-Y935 HydrophobicContact CB-CE1 3.88Å; A927-Y935 HydrophobicContact CB-CE2 3.86Å; A927-Y935 VanDerWaalsContact CB-CZ 3.49Å; A927-Y935 PolarHBondContact N-O 3.06Å; A927-Y935 PolarHBondContact O-N 3.36Å; A927-Y935 VanDerWaalsContact O-O 3.08Å; D929-Y935 HydrophobicContact CB-CE1 4.5Å; Y935-Y937 HydrophobicContact CD2-CD1 4.41Å; Y935-Y937 AromaticContact CE2-CD1 3.97Å; Y935-Y937 HydrophobicContact CE2-CD1 3.97Å; Y935-V944 HydrophobicContact CD2-CG1 3.81Å; Y935-V944 HydrophobicContact CE2-CG1 4.39Å
936	Y	89.6	Confident	82.1	Confident	34 Å²	34	84.6 Å²	84.6	13%	0.133	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.7	-179.2	-56.1	-91	0	0	0	109.7	L920 K925 L934 V944 Q945 E947 K948 P949	L920-Y936 HydrophobicContact CD1-CD1 4.27Å; L920-Y936 HydrophobicContact CD1-CE1 4.48Å; L920-Y936 HydrophobicContact CD2-CD1 3.81Å; L920-Y936 HydrophobicContact CD2-CE1 3.9Å; K925-Y936 CarbonylContact O-C 3.6Å; K925-Y936 VanDerWaalsContact O-CA 3.3Å; K925-Y936 WeakPolarHBondContact O-CA 3.44Å; L934-Y936 HydrophobicContact CD2-CE1 4.41Å; Y936-V944 CarbonylContact O-C 3.59Å; Y936-V944 WeakPolarHBondContact O-CA 3.22Å; Y936-Q945 PolarHBondContact N-O 3.32Å; Y936-Q945 PolarHBondContact O-N 3Å; Y936-E947 VanDerWaalsContact CD2-C 3.5Å; Y936-E947 VanDerWaalsContact CD2-O 3.24Å; Y936-E947 WeakPolarHBondContact CD2-O 3.15Å; Y936-K948 HydrophobicContact CE1-CB 4.24Å; Y936-K948 HydrophobicContact CE1-CG 4Å; Y936-K948 HydrophobicContact CE2-CB 3.94Å; Y936-P949 VanDerWaalsContact CG-CD 3.45Å; Y936-P949 HydrophobicContact CG-CG 4.27Å
937	Y	88.8	Confident	81.8	Confident	65 Å²	65	89.2 Å²	89.2	26%	0.255	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.2	-179.5	68.9	-81	0	0	0	110.6	W924 K925 A927 Y935 K939 S943	W924-Y937 CarbonylContact C-O 3.58Å; W924-Y937 WeakPolarHBondContact CA-O 3.32Å; W924-Y937 VanDerWaalsContact CE3-C 3.41Å; K925-Y937 HydrophobicContact CB-CD1 4.31Å; K925-Y937 HydrophobicContact CB-CE1 3.7Å; K925-Y937 HydrophobicContact CB-CE2 4.19Å; K925-Y937 PolarHBondContact N-O 3.33Å; K925-Y937 WeakPolarHBondContact O-CD1 3.4Å; K925-Y937 PolarHBondContact O-N 3.27Å; A927-Y937 HydrophobicContact CB-CD1 4.26Å; A927-Y937 HydrophobicContact CB-CE1 3.86Å; Y935-Y937 HydrophobicContact CD2-CD1 4.41Å; Y935-Y937 AromaticContact CE2-CD1 3.97Å; Y935-Y937 HydrophobicContact CE2-CD1 3.97Å; Y937-K939 HydrophobicContact CD2-CG 4.27Å; Y937-K939 HydrophobicContact CE2-CG 3.78Å; Y937-S943 CarbonylContact C-O 3.5Å; Y937-S943 WeakPolarHBondContact CA-O 3.04Å
938	N	87.4	Confident	81.6	Confident	14 Å²	14	91.1 Å²	91.1	8%	0.075	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.6	175.1	-172.2	-54.9	0	0	0	109.7	G923 W924 E940 T941 N942 S943	G923-N938 WeakPolarHBondContact O-CA 3.49Å; W924-N938 HydrophobicContact CD2-CB 3.67Å; W924-N938 HydrophobicContact CE3-CB 3.73Å; W924-N938 HydrophobicContact CG-CB 4.25Å; W924-N938 HydrophobicContact CH2-CB 4.17Å; W924-N938 HydrophobicContact CZ2-CB 4.1Å; W924-N938 HydrophobicContact CZ3-CB 3.97Å; W924-N938 PolarHBondContact NE1-ND2 2.93Å; N938-E940 VanDerWaalsContact C-N 3.29Å; N938-E940 PolarHBondContact O-N 3.42Å; N938-E940 WeakPolarHBondContact OD1-CA 3.49Å; N938-E940 WeakPolarHBondContact OD1-CB 3.35Å; N938-E940 PolarHBondContact OD1-N 2.86Å; N938-T941 VanDerWaalsContact CB-OG1 3.25Å; N938-T941 WeakPolarHBondContact CB-OG1 3.38Å; N938-T941 VanDerWaalsContact CG-OG1 3.27Å; N938-T941 PolarHBondContact OD1-N 3.39Å; N938-T941 VanDerWaalsContact OD1-N 3.09Å; N938-T941 PolarHBondContact OD1-OG1 2.83Å; N938-N942 VanDerWaalsContact O-CA 3.28Å; N938-N942 WeakPolarHBondContact O-CA 3.25Å; N938-N942 PolarHBondContact O-N 3.22Å; N938-S943 WeakPolarHBondContact CB-OG 3.49Å; N938-S943 PolarHBondContact N-O 2.9Å
939	K	82.8	Confident	81.3	Confident	132 Å²	132	88.9 Å²	88.9	57%	0.574	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15	-178.2	-81.8	-152.6	165	-150.2	0	115.1	G923 K925 Y937	G923-K939 PolarHBondContact O-N 3.4Å; K925-K939 HydrophobicContact CD-CD 4.36Å; Y937-K939 HydrophobicContact CD2-CG 4.27Å; Y937-K939 HydrophobicContact CE2-CG 3.78Å
940	E	79.4	Confident	80.2	Confident	153 Å²	153	91.5 Å²	91.5	72%	0.715	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-37.1	-174.2	-64.9	166	-149.8	0	0	110.9	G923 N938	G923-E940 WeakPolarHBondContact CA-OE1 3.47Å; N938-E940 VanDerWaalsContact C-N 3.29Å; N938-E940 PolarHBondContact O-N 3.42Å; N938-E940 WeakPolarHBondContact OD1-CA 3.49Å; N938-E940 WeakPolarHBondContact OD1-CB 3.35Å; N938-E940 PolarHBondContact OD1-N 2.86Å
941	T	85	Confident	79.1	Confident	91 Å²	91	89.7 Å²	89.7	56%	0.558	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-10.9	178.4	63.1	0	0	0	0	114.5	N938 S943	N938-T941 VanDerWaalsContact CB-OG1 3.25Å; N938-T941 WeakPolarHBondContact CB-OG1 3.38Å; N938-T941 VanDerWaalsContact CG-OG1 3.27Å; N938-T941 PolarHBondContact OD1-N 3.39Å; N938-T941 VanDerWaalsContact OD1-N 3.09Å; N938-T941 PolarHBondContact OD1-OG1 2.83Å; T941-S943 PolarHBondContact O-N 2.88Å; T941-S943 PolarHBondContact OG1-N 2.93Å; T941-S943 PolarHBondContact OG1-OG 3.48Å
942	N	81.5	Confident	77.8	Confident	137 Å²	137	89.9 Å²	89.9	73%	0.733	45%	0.447	S	S	*	.			trans	57.4	15.4	-168.9	-62.6	-62.6	0	0	0	115.3	N938	N938-N942 VanDerWaalsContact O-CA 3.28Å; N938-N942 WeakPolarHBondContact O-CA 3.25Å; N938-N942 PolarHBondContact O-N 3.22Å
943	S	81.9	Confident	76.4	Confident	47 Å²	47	91.8 Å²	91.8	33%	0.329	45%	0.448	S	S	.	.			trans	-72	134.7	174.6	57.9	0	0	0	0	111.5	W924 Y937 N938 T941	W924-S943 VanDerWaalsContact CH2-OG 3.25Å; W924-S943 WeakPolarHBondContact CH2-OG 3.27Å; Y937-S943 CarbonylContact C-O 3.5Å; Y937-S943 WeakPolarHBondContact CA-O 3.04Å; N938-S943 WeakPolarHBondContact CB-OG 3.49Å; N938-S943 PolarHBondContact N-O 2.9Å; T941-S943 PolarHBondContact O-N 2.88Å; T941-S943 PolarHBondContact OG1-N 2.93Å; T941-S943 PolarHBondContact OG1-OG 3.48Å
944	V	87	Confident	74.7	Confident	98 Å²	98	91 Å²	91	59%	0.594	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	177.8	-174.3	0	0	0	0	109.7	Y935 Y936	Y935-V944 HydrophobicContact CD2-CG1 3.81Å; Y935-V944 HydrophobicContact CE2-CG1 4.39Å; Y936-V944 CarbonylContact O-C 3.59Å; Y936-V944 WeakPolarHBondContact O-CA 3.22Å
945	Q	84.7	Confident	72.7	Confident	69 Å²	69	95.4 Å²	95.4	32%	0.322	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.7	-179.7	61.1	-177.1	55.5	0	0	111.9	W924 Y936 E947	W924-Q945 HydrophobicContact CH2-CG 3.9Å; W924-Q945 VanDerWaalsContact CH2-OE1 3.27Å; W924-Q945 HydrophobicContact CZ3-CG 3.8Å; Y936-Q945 PolarHBondContact N-O 3.32Å; Y936-Q945 PolarHBondContact O-N 3Å; Q945-E947 WeakPolarHBondContact CG-O 3.14Å; Q945-E947 PolarHBondContact NE2-O 2.87Å
946	W	84.3	Confident	70.1	Confident	139 Å²	139	100.8 Å²	100.8	53%	0.527	50%	0.499	S	S	.	.	S	Bend	trans	-87.9	-11.6	178.8	-65.7	99.2	0	0	0	113.8	D929 R933	D929-W946 HydrophobicContact CB-CH2 4.47Å; R933-W946 HydrophobicContact CB-CZ3 4.09Å; R933-W946 HydrophobicContact CG-CE3 4.08Å; R933-W946 HydrophobicContact CG-CZ3 3.71Å
947	E	78.8	Confident	67.6	Low	156 Å²	156	106.7 Å²	106.7	73%	0.729	53%	0.532	S	S	*	.	S	Bend	trans	-101.2	144.7	-176.9	-62.8	178	172.5	0	0	110.8	Y936 Q945 P949	Y936-E947 VanDerWaalsContact CD2-C 3.5Å; Y936-E947 VanDerWaalsContact CD2-O 3.24Å; Y936-E947 WeakPolarHBondContact CD2-O 3.15Å; Q945-E947 WeakPolarHBondContact CG-O 3.14Å; Q945-E947 PolarHBondContact NE2-O 2.87Å; E947-P949 VanDerWaalsContact O-CD 3.31Å; E947-P949 WeakPolarHBondContact O-CD 3.18Å
948	K	79.6	Confident	65.1	Low	68 Å²	68	109.6 Å²	109.6	30%	0.296	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-65.5	119.9	-177.9	-174.2	174	170.7	179.8	0	109.7	D916 L917 S919 L920 Y936 L950	D916-K948 PolarHBondContact O-NZ 3.12Å; L917-K948 PolarHBondContact O-NZ 3.45Å; S919-K948 WeakPolarHBondContact O-CE 3.44Å; S919-K948 PolarHBondContact O-NZ 2.91Å; L920-K948 HydrophobicContact CD2-CG 3.93Å; Y936-K948 HydrophobicContact CE1-CB 4.24Å; Y936-K948 HydrophobicContact CE1-CG 4Å; Y936-K948 HydrophobicContact CE2-CB 3.94Å; K948-L950 PolarHBondContact O-N 3Å
949	P	74.9	Confident	63	Low	9 Å²	9	119.3 Å²	119.3	6%	0.058	59%	0.594	C	S	.	*	P	Polyproline II helix	trans	-61.1	128	178.3	-18.8	28.4	0	0	0	110.6	P921 W924 Y936 E947	P921-P949 WeakPolarHBondContact CD-O 3.46Å; P921-P949 HydrophobicContact CG-CB 3.99Å; W924-P949 HydrophobicContact CB-CG 4.2Å; W924-P949 HydrophobicContact CD2-CB 3.67Å; W924-P949 HydrophobicContact CD2-CG 3.3Å; W924-P949 HydrophobicContact CE3-CB 4.16Å; W924-P949 HydrophobicContact CE3-CG 3.3Å; W924-P949 HydrophobicContact CG-CB 3.86Å; W924-P949 HydrophobicContact CG-CG 3.75Å; W924-P949 HydrophobicContact CH2-CG 4.18Å; W924-P949 HydrophobicContact CZ2-CB 4.21Å; W924-P949 HydrophobicContact CZ2-CG 4.2Å; W924-P949 HydrophobicContact CZ3-CG 3.77Å; Y936-P949 VanDerWaalsContact CG-CD 3.45Å; Y936-P949 HydrophobicContact CG-CG 4.27Å; E947-P949 VanDerWaalsContact O-CD 3.31Å; E947-P949 WeakPolarHBondContact O-CD 3.18Å
950	L	59.8	Low	61.5	Low	104 Å²	104	120.6 Å²	120.6	55%	0.545	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-80.3	145.9	178.6	-59.7	174.4	0	0	0	110.2	Y188 P921 K948 D952	Y188-L950 HydrophobicContact CD1-CD1 3.73Å; Y188-L950 HydrophobicContact CD2-CD1 3.64Å; Y188-L950 HydrophobicContact CE1-CD1 4.21Å; Y188-L950 HydrophobicContact CE2-CD1 4.12Å; Y188-L950 HydrophobicContact CG-CD1 3.45Å; Y188-L950 VanDerWaalsContact CG-CD1 3.45Å; P921-L950 VanDerWaalsContact CG-O 3.27Å; P921-L950 WeakPolarHBondContact CG-O 3.37Å; K948-L950 PolarHBondContact O-N 3Å; L950-D952 PolarHBondContact O-N 3.26Å
951	I	57.5	Low	60.5	Low	93 Å²	93	117.5 Å²	117.5	48%	0.477	60%	0.599	S	S	.	*			trans	-78.5	108	172.7	-60.1	172.2	0	0	0	107	P921 V953	P921-I951 HydrophobicContact CB-CG1 4.17Å; P921-I951 HydrophobicContact CG-CG1 3.84Å; I951-V953 WeakPolarHBondContact O-CG2 3.48Å; I951-V953 PolarHBondContact O-N 3.43Å
952	D	45.9	Very low	60	Low	115 Å²	115	115.7 Å²	115.7	62%	0.615	59%	0.585	S	S	*	*			trans	-71.8	125.8	170	-161.6	-18.8	0	0	0	109.3	L950 N954	L950-D952 PolarHBondContact O-N 3.26Å; D952-N954 VanDerWaalsContact C-N 3.31Å; D952-N954 PolarHBondContact O-N 2.84Å; D952-N954 PolarHBondContact OD1-N 3.28Å; D952-N954 PolarHBondContact OD1-ND2 2.94Å
953	V	40.2	Very low	59.9	Low	93 Å²	93	112.4 Å²	112.4	56%	0.564	57%	0.57	S	S	*	*	S	Bend	trans	-94.1	10.6	-168.1	-154.6	0	0	0	0	111.4	I951	I951-V953 WeakPolarHBondContact O-CG2 3.48Å; I951-V953 PolarHBondContact O-N 3.43Å
954	N	34.7	Very low	59.8	Low	141 Å²	141	115.9 Å²	115.9	75%	0.754	58%	0.581	S	S	*	*	S	Bend	trans	-117.9	-4	-168.4	-70.8	-50.4	0	0	0	116.9	D952	D952-N954 VanDerWaalsContact C-N 3.31Å; D952-N954 PolarHBondContact O-N 2.84Å; D952-N954 PolarHBondContact OD1-N 3.28Å; D952-N954 PolarHBondContact OD1-ND2 2.94Å
955	E	35.5	Very low	59.5	Low	179 Å²	179	116.5 Å²	116.5	84%	0.836	58%	0.578	S	S	*	*	S	Bend	trans	-98.1	6.2	-173.6	-77.5	-141.4	125.8	0	0	116.3
956	K	33.8	Very low	59.5	Low	180 Å²	180	117.5 Å²	117.5	78%	0.783	58%	0.583	S	S	*	*	S	Bend	trans	-133.1	132.8	172.6	-66.3	-176.9	-177.9	172.4	0	111.2
957	D	35.4	Very low	59.7	Low	158 Å²	158	111.8 Å²	111.8	85%	0.845	56%	0.561	S	S	*	*	S	Bend	trans	64.1	67.7	174.8	-54	-26.3	0	0	0	117.8
958	D	36.4	Very low	60.1	Low	125 Å²	125	108.1 Å²	108.1	67%	0.668	54%	0.544	S	S	*	.			trans	-167.2	86.8	131.8	-117.9	-0.4	0	0	0	114.6	N960 T961	D958-N960 VanDerWaalsContact C-N 3.26Å; D958-N960 PolarHBondContact O-N 2.88Å; D958-T961 WeakPolarHBondContact OD2-CB 3.4Å; D958-T961 PolarHBondContact OD2-OG1 3.13Å
959	K	43.1	Very low	60.5	Low	218 Å²	218	111.1 Å²	111.1	95%	0.948	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	22.2	178.3	-84.1	-169.1	174.6	-179	0	115.1
960	N	51.4	Low	61.2	Low	160 Å²	160	113.9 Å²	113.9	86%	0.856	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	5	-172.8	-121.9	-4.3	0	0	0	116.5	D958	D958-N960 VanDerWaalsContact C-N 3.26Å; D958-N960 PolarHBondContact O-N 2.88Å
961	T	59.3	Low	62.7	Low	88 Å²	88	111 Å²	111	54%	0.54	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-100.8	120.1	-171.6	-57.8	0	0	0	0	111.5	D958	D958-T961 WeakPolarHBondContact OD2-CB 3.4Å; D958-T961 PolarHBondContact OD2-OG1 3.13Å
962	L	73.9	Confident	64.3	Low	53 Å²	53	112.9 Å²	112.9	28%	0.277	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-71.7	133.1	-176.4	-127.7	123.1	0	0	0	111	Q966 M970 I1026 P1029	L962-Q966 HydrophobicContact CD2-CB 3.64Å; L962-Q966 HydrophobicContact CG-CB 4.3Å; L962-M970 HydrophobicContact CD1-SD 4.27Å; L962-M970 HydrophobicContact CD2-SD 3.78Å; L962-I1026 HydrophobicContact CB-CG2 4.14Å; L962-I1026 VanDerWaalsContact O-CG2 3.3Å; L962-I1026 WeakPolarHBondContact O-CG2 3.3Å; L962-P1029 HydrophobicContact CD1-CG 4.44Å
963	T	80.1	Confident	66.5	Low	67 Å²	67	111 Å²	111	41%	0.411	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-75.5	158.2	176.3	77.1	0	0	0	0	111.6	E965 Q966 Y967	T963-E965 VanDerWaalsContact C-N 3.3Å; T963-E965 PolarHBondContact O-N 3.48Å; T963-Q966 WeakPolarHBondContact O-CB 3.36Å; T963-Q966 PolarHBondContact O-N 3.32Å; T963-Q966 VanDerWaalsContact OG1-CG 3.25Å; T963-Q966 WeakPolarHBondContact OG1-CG 3.3Å; T963-Q966 PolarHBondContact OG1-N 2.86Å; T963-Y967 PolarHBondContact O-N 3.21Å
964	E	80.1	Confident	69.2	Low	121 Å²	121	106.8 Å²	106.8	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-66.9	-32.3	-179.8	-168.1	140.6	-135.5	0	0	112.4	Y967 E968 I1026	E964-Y967 PolarHBondContact O-N 3.31Å; E964-E968 PolarHBondContact O-N 2.88Å; E964-I1026 HydrophobicContact CB-CD1 4.27Å; E964-I1026 HydrophobicContact CG-CD1 4.27Å
965	E	80.1	Confident	72	Confident	110 Å²	110	102.5 Å²	102.5	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-45.8	169.2	-66.1	-173	155	0	0	112.2	T963 Y967 E968 Q969	T963-E965 VanDerWaalsContact C-N 3.3Å; T963-E965 PolarHBondContact O-N 3.48Å; E965-Y967 VanDerWaalsContact C-N 3.3Å; E965-Y967 PolarHBondContact O-N 3.38Å; E965-E968 PolarHBondContact O-N 3.26Å; E965-Q969 WeakPolarHBondContact O-CG 3.29Å; E965-Q969 PolarHBondContact O-N 2.83Å
966	Q	83.7	Confident	74.8	Confident	91 Å²	91	101 Å²	101	43%	0.425	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175.5	-73	167.5	-4.7	0	0	110.9	L962 T963 Q969 M970	L962-Q966 HydrophobicContact CD2-CB 3.64Å; L962-Q966 HydrophobicContact CG-CB 4.3Å; T963-Q966 WeakPolarHBondContact O-CB 3.36Å; T963-Q966 PolarHBondContact O-N 3.32Å; T963-Q966 VanDerWaalsContact OG1-CG 3.25Å; T963-Q966 WeakPolarHBondContact OG1-CG 3.3Å; T963-Q966 PolarHBondContact OG1-N 2.86Å; Q966-Q969 PolarHBondContact O-N 3.04Å; Q966-M970 WeakPolarHBondContact O-CG 3.18Å; Q966-M970 PolarHBondContact O-N 2.94Å
967	Y	88.8	Confident	77.7	Confident	19 Å²	19	95.6 Å²	95.6	8%	0.075	46%	0.464	C	S	.	.	H	α-helix	trans	-62.7	-43.7	176.3	179.5	-133.7	0	0	0	111.6	T963 E964 E965 M970 K971 S1024 S1025 I1026 P1029	T963-Y967 PolarHBondContact O-N 3.21Å; E964-Y967 PolarHBondContact O-N 3.31Å; E965-Y967 VanDerWaalsContact C-N 3.3Å; E965-Y967 PolarHBondContact O-N 3.38Å; Y967-M970 WeakPolarHBondContact O-CB 3.33Å; Y967-M970 PolarHBondContact O-N 3.01Å; Y967-K971 VanDerWaalsContact CD1-CE 3.45Å; Y967-K971 HydrophobicContact CE2-CG 4.42Å; Y967-K971 WeakPolarHBondContact O-CG 3.44Å; Y967-K971 PolarHBondContact O-N 2.97Å; Y967-S1024 VanDerWaalsContact OH-C 3.24Å; Y967-S1024 PolarHBondContact OH-O 3.07Å; Y967-S1024 VanDerWaalsContact OH-O 3.11Å; Y967-S1024 PolarHBondContact OH-OG 2.8Å; Y967-S1024 VanDerWaalsContact OH-OG 3.07Å; Y967-S1025 VanDerWaalsContact CE2-O 3.29Å; Y967-S1025 WeakPolarHBondContact CE2-O 3.2Å; Y967-S1025 VanDerWaalsContact CZ-C 3.46Å; Y967-S1025 WeakPolarHBondContact OH-CA 2.98Å; Y967-S1025 PolarHBondContact OH-N 2.89Å; Y967-I1026 HydrophobicContact CD1-CB 4.49Å; Y967-I1026 HydrophobicContact CD1-CD1 4.26Å; Y967-I1026 HydrophobicContact CD1-CG1 3.36Å; Y967-I1026 HydrophobicContact CE1-CG1 3.89Å; Y967-I1026 HydrophobicContact CG-CG1 3.75Å; Y967-P1029 HydrophobicContact CD2-CB 4.23Å; Y967-P1029 HydrophobicContact CE2-CB 4.39Å
968	E	87.8	Confident	80.6	Confident	78 Å²	78	88.1 Å²	88.1	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-37.6	176.7	-166.1	56.3	-131.4	0	0	112.6	E964 E965 M970 K971 K972	E964-E968 PolarHBondContact O-N 2.88Å; E965-E968 PolarHBondContact O-N 3.26Å; E968-M970 VanDerWaalsContact C-N 3.33Å; E968-M970 PolarHBondContact O-N 3.26Å; E968-K971 PolarHBondContact O-N 2.83Å; E968-K971 WeakPolarHBondContact OE2-CD 3.16Å; E968-K971 WeakPolarHBondContact OE2-CE 3.39Å; E968-K971 IonicContact OE2-NZ 2.59Å; E968-K971 PolarHBondContact OE2-NZ 3.14Å; E968-K972 WeakPolarHBondContact O-CG 3.26Å; E968-K972 PolarHBondContact O-N 3.32Å
969	Q	87.5	Confident	83.4	Confident	131 Å²	131	82.7 Å²	82.7	61%	0.612	40%	0.398	S	S	*	.	H	α-helix	trans	-60	-42.3	170	-71.5	-179.8	17.2	0	0	111.5	E965 Q966 K972 Q973	E965-Q969 WeakPolarHBondContact O-CG 3.29Å; E965-Q969 PolarHBondContact O-N 2.83Å; Q966-Q969 PolarHBondContact O-N 3.04Å; Q969-K972 PolarHBondContact O-N 2.99Å; Q969-Q973 WeakPolarHBondContact O-CB 3.3Å; Q969-Q973 PolarHBondContact O-N 3.2Å
970	M	89.6	Confident	85.9	Confident	67 Å²	67	76.2 Å²	76.2	33%	0.33	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-39.6	174.1	-72	-173.1	80.1	0	0	112.4	L962 Q966 Y967 E968 Q973 F974 P1029	L962-M970 HydrophobicContact CD1-SD 4.27Å; L962-M970 HydrophobicContact CD2-SD 3.78Å; Q966-M970 WeakPolarHBondContact O-CG 3.18Å; Q966-M970 PolarHBondContact O-N 2.94Å; Y967-M970 WeakPolarHBondContact O-CB 3.33Å; Y967-M970 PolarHBondContact O-N 3.01Å; E968-M970 VanDerWaalsContact C-N 3.33Å; E968-M970 PolarHBondContact O-N 3.26Å; M970-Q973 PolarHBondContact O-N 2.81Å; M970-F974 WeakPolarHBondContact O-CB 3.34Å; M970-F974 PolarHBondContact O-N 3.4Å; M970-P1029 HydrophobicContact CE-CB 3.75Å; M970-P1029 HydrophobicContact CE-CG 3.96Å; M970-P1029 HydrophobicContact SD-CB 3.75Å; M970-P1029 HydrophobicContact SD-CG 4.12Å
971	K	92.9	Very high	88	Confident	43 Å²	43	69.4 Å²	69.4	19%	0.187	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-45	173.6	-64	179.7	-151.6	156.1	0	111.8	Y967 E968 T975 L1021 P1030	Y967-K971 VanDerWaalsContact CD1-CE 3.45Å; Y967-K971 HydrophobicContact CE2-CG 4.42Å; Y967-K971 WeakPolarHBondContact O-CG 3.44Å; Y967-K971 PolarHBondContact O-N 2.97Å; E968-K971 PolarHBondContact O-N 2.83Å; E968-K971 WeakPolarHBondContact OE2-CD 3.16Å; E968-K971 WeakPolarHBondContact OE2-CE 3.39Å; E968-K971 IonicContact OE2-NZ 2.59Å; E968-K971 PolarHBondContact OE2-NZ 3.14Å; K971-T975 WeakPolarHBondContact O-CB 3.29Å; K971-T975 PolarHBondContact O-N 2.6Å; K971-T975 PolarHBondContact O-OG1 3.12Å; K971-L1021 HydrophobicContact CB-CD2 4.18Å; K971-L1021 HydrophobicContact CD-CD2 4.41Å; K971-L1021 HydrophobicContact CG-CD2 3.85Å; K971-P1030 HydrophobicContact CG-CG 4.47Å
972	K	91.1	Very high	89.8	Confident	134 Å²	134	65.2 Å²	65.2	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-62.8	-45.2	178	-71.2	176.2	-179.4	179.1	0	111.4	E968 Q969 T975 R976	E968-K972 WeakPolarHBondContact O-CG 3.26Å; E968-K972 PolarHBondContact O-N 3.32Å; Q969-K972 PolarHBondContact O-N 2.99Å; K972-T975 PolarHBondContact O-N 3.35Å; K972-R976 PolarHBondContact O-N 3.31Å; K972-R976 VanDerWaalsContact O-N 3.13Å
973	Q	92.1	Very high	90.8	Very high	76 Å²	76	65.1 Å²	65.1	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-45.5	177.5	179.1	59.4	12.4	0	0	112.5	Q969 M970 T975 R976 E977	Q969-Q973 WeakPolarHBondContact O-CB 3.3Å; Q969-Q973 PolarHBondContact O-N 3.2Å; M970-Q973 PolarHBondContact O-N 2.81Å; Q973-T975 VanDerWaalsContact C-N 3.3Å; Q973-T975 PolarHBondContact O-N 3.02Å; Q973-R976 WeakPolarHBondContact O-CB 3.44Å; Q973-R976 PolarHBondContact O-N 3.15Å; Q973-R976 VanDerWaalsContact O-N 3.13Å; Q973-E977 PolarHBondContact NE2-OE1 3.01Å; Q973-E977 WeakPolarHBondContact O-CG 3.41Å; Q973-E977 PolarHBondContact O-N 3.03Å
974	F	95.4	Very high	91.5	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-42.6	175	173.2	-100.5	0	0	0	112.1	M970 R976 E977 V978 V1017 E1020 L1021 P1030 F1032 L1036	M970-F974 WeakPolarHBondContact O-CB 3.34Å; M970-F974 PolarHBondContact O-N 3.4Å; F974-R976 VanDerWaalsContact C-N 3.35Å; F974-R976 PolarHBondContact O-N 3.45Å; F974-E977 PolarHBondContact O-N 3.32Å; F974-V978 HydrophobicContact CD1-CG2 4.35Å; F974-V978 HydrophobicContact CD2-CG2 4.37Å; F974-V978 HydrophobicContact CE1-CG2 4.01Å; F974-V978 HydrophobicContact CE2-CG2 4.03Å; F974-V978 HydrophobicContact CZ-CG2 3.84Å; F974-V978 VanDerWaalsContact O-CG2 3.3Å; F974-V978 WeakPolarHBondContact O-CG2 3.33Å; F974-V978 PolarHBondContact O-N 3.02Å; F974-V1017 HydrophobicContact CE1-CG2 4.46Å; F974-E1020 HydrophobicContact CE1-CB 4.13Å; F974-E1020 HydrophobicContact CZ-CB 3.8Å; F974-E1020 HydrophobicContact CZ-CG 4.24Å; F974-L1021 HydrophobicContact CD1-CD2 4.18Å; F974-L1021 HydrophobicContact CE1-CD2 4.46Å; F974-P1030 HydrophobicContact CB-CB 4.26Å; F974-P1030 HydrophobicContact CB-CG 4.07Å; F974-P1030 HydrophobicContact CD1-CB 3.82Å; F974-P1030 HydrophobicContact CD1-CG 4.26Å; F974-P1030 HydrophobicContact CD2-CB 3.89Å; F974-P1030 HydrophobicContact CE1-CB 4.06Å; F974-P1030 HydrophobicContact CE2-CB 4.12Å; F974-P1030 HydrophobicContact CG-CB 3.73Å; F974-P1030 HydrophobicContact CG-CG 4.08Å; F974-P1030 HydrophobicContact CZ-CB 4.2Å; F974-F1032 HydrophobicContact CD2-CB 4.26Å; F974-F1032 HydrophobicContact CE2-CB 4.49Å; F974-F1032 HydrophobicContact CE2-CD2 4.34Å; F974-L1036 HydrophobicContact CE2-CD2 3.5Å; F974-L1036 VanDerWaalsContact CE2-CD2 3.5Å; F974-L1036 HydrophobicContact CZ-CD2 3.56Å
975	T	94.7	Very high	92.2	Very high	50 Å²	50	64.9 Å²	64.9	31%	0.307	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-44.1	176.2	-60.1	0	0	0	0	111.5	K971 K972 Q973 G979 V1017	K971-T975 WeakPolarHBondContact O-CB 3.29Å; K971-T975 PolarHBondContact O-N 2.6Å; K971-T975 PolarHBondContact O-OG1 3.12Å; K972-T975 PolarHBondContact O-N 3.35Å; Q973-T975 VanDerWaalsContact C-N 3.3Å; Q973-T975 PolarHBondContact O-N 3.02Å; T975-G979 PolarHBondContact O-N 2.87Å; T975-V1017 HydrophobicContact CG2-CG1 4.24Å; T975-V1017 HydrophobicContact CG2-CG2 4.22Å; T975-V1017 WeakPolarHBondContact OG1-CG1 3.4Å
976	R	94	Very high	92.9	Very high	149 Å²	149	59.7 Å²	59.7	56%	0.562	27%	0.274	S	S	*	.	H	α-helix	trans	-63.5	-42	175.6	-175.2	-173	-70.7	137.5	-9.4	112.2	K972 Q973 F974 G979 N980	K972-R976 PolarHBondContact O-N 3.31Å; K972-R976 VanDerWaalsContact O-N 3.13Å; Q973-R976 WeakPolarHBondContact O-CB 3.44Å; Q973-R976 PolarHBondContact O-N 3.15Å; Q973-R976 VanDerWaalsContact O-N 3.13Å; F974-R976 VanDerWaalsContact C-N 3.35Å; F974-R976 PolarHBondContact O-N 3.45Å; R976-G979 PolarHBondContact O-N 3.05Å; R976-N980 VanDerWaalsContact O-CB 3.3Å; R976-N980 WeakPolarHBondContact O-CB 3.43Å; R976-N980 PolarHBondContact O-N 2.71Å; R976-N980 PolarHBondContact O-ND2 2.94Å
977	E	95.3	Very high	93.3	Very high	66 Å²	66	61.9 Å²	61.9	31%	0.308	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-46.1	178.6	-73.8	174.1	-176.4	0	0	112.6	Q973 F974 G979 N980 Y981 F1032	Q973-E977 PolarHBondContact NE2-OE1 3.01Å; Q973-E977 WeakPolarHBondContact O-CG 3.41Å; Q973-E977 PolarHBondContact O-N 3.03Å; F974-E977 PolarHBondContact O-N 3.32Å; E977-G979 PolarHBondContact O-N 3.1Å; E977-N980 PolarHBondContact O-N 3.18Å; E977-Y981 WeakPolarHBondContact O-CB 3.13Å; E977-Y981 PolarHBondContact O-N 3.16Å; E977-F1032 HydrophobicContact CB-CB 4.26Å; E977-F1032 HydrophobicContact CB-CD1 4.06Å; E977-F1032 HydrophobicContact CB-CD2 4.38Å; E977-F1032 HydrophobicContact CB-CG 3.95Å; E977-F1032 WeakPolarHBondContact OE2-CB 3.35Å
978	V	96.4	Very high	93.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-46.9	174.3	174.1	0	0	0	0	110.6	F974 Y981 I982 T1013 F1016 V1017 F1032 L1036 I1040	F974-V978 HydrophobicContact CD1-CG2 4.35Å; F974-V978 HydrophobicContact CD2-CG2 4.37Å; F974-V978 HydrophobicContact CE1-CG2 4.01Å; F974-V978 HydrophobicContact CE2-CG2 4.03Å; F974-V978 HydrophobicContact CZ-CG2 3.84Å; F974-V978 VanDerWaalsContact O-CG2 3.3Å; F974-V978 WeakPolarHBondContact O-CG2 3.33Å; F974-V978 PolarHBondContact O-N 3.02Å; V978-Y981 PolarHBondContact O-N 3.46Å; V978-I982 HydrophobicContact CG1-CD1 3.75Å; V978-I982 WeakPolarHBondContact O-CG1 3.18Å; V978-I982 PolarHBondContact O-N 2.65Å; V978-T1013 HydrophobicContact CG1-CG2 4.28Å; V978-F1016 HydrophobicContact CG1-CB 4.04Å; V978-V1017 HydrophobicContact CB-CG2 3.92Å; V978-V1017 HydrophobicContact CG1-CG2 3.88Å; V978-V1017 HydrophobicContact CG2-CG2 4.19Å; V978-F1032 HydrophobicContact CB-CE2 4.21Å; V978-F1032 HydrophobicContact CG2-CD2 3.59Å; V978-F1032 HydrophobicContact CG2-CE2 3.61Å; V978-L1036 HydrophobicContact CG2-CD2 4.45Å; V978-I1040 HydrophobicContact CG1-CD1 4.14Å
979	G	94.4	Very high	93.8	Very high	11 Å²	11	62 Å²	62	11%	0.113	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-49.3	177.5	0	0	0	0	0	113	T975 R976 E977 Y981 I982 L983	T975-G979 PolarHBondContact O-N 2.87Å; R976-G979 PolarHBondContact O-N 3.05Å; E977-G979 PolarHBondContact O-N 3.1Å; G979-Y981 PolarHBondContact O-N 2.88Å; G979-I982 PolarHBondContact O-N 2.67Å; G979-L983 WeakPolarHBondContact O-CB 3.45Å; G979-L983 WeakPolarHBondContact O-CG 3.07Å; G979-L983 PolarHBondContact O-N 2.72Å
980	N	94.8	Very high	94	Very high	82 Å²	82	60.1 Å²	60.1	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-24.3	178.6	-77.8	-20.9	0	0	0	113.6	R976 E977 R984	R976-N980 VanDerWaalsContact O-CB 3.3Å; R976-N980 WeakPolarHBondContact O-CB 3.43Å; R976-N980 PolarHBondContact O-N 2.71Å; R976-N980 PolarHBondContact O-ND2 2.94Å; E977-N980 PolarHBondContact O-N 3.18Å; N980-R984 WeakPolarHBondContact O-CG 3.46Å; N980-R984 PolarHBondContact O-N 2.94Å; N980-R984 PolarHBondContact O-NE 3.41Å
981	Y	97.1	Very high	94	Very high	18 Å²	18	61.2 Å²	61.2	7%	0.071	28%	0.282	C	S	.	.	H	α-helix	trans	-80.7	-41.6	172.1	-174	-106.5	0	0	0	112.2	E977 V978 G979 L983 R984 L985 F1032 Q1037 I1040 R1041	E977-Y981 WeakPolarHBondContact O-CB 3.13Å; E977-Y981 PolarHBondContact O-N 3.16Å; V978-Y981 PolarHBondContact O-N 3.46Å; G979-Y981 PolarHBondContact O-N 2.88Å; Y981-L983 PolarHBondContact O-N 3.06Å; Y981-R984 PolarHBondContact O-N 3.06Å; Y981-R984 VanDerWaalsContact O-N 3.16Å; Y981-L985 HydrophobicContact CD1-CD1 3.74Å; Y981-L985 HydrophobicContact CD1-CG 4.3Å; Y981-L985 HydrophobicContact CE1-CD1 3.43Å; Y981-L985 VanDerWaalsContact CE1-CD1 3.43Å; Y981-L985 HydrophobicContact CE1-CG 4.08Å; Y981-L985 WeakPolarHBondContact O-CG 3.33Å; Y981-L985 PolarHBondContact O-N 3.41Å; Y981-F1032 VanDerWaalsContact CB-CZ 3.41Å; Y981-F1032 AromaticContact CD1-CZ 3.71Å; Y981-F1032 HydrophobicContact CD1-CZ 3.71Å; Y981-F1032 HydrophobicContact CD2-CE1 4.26Å; Y981-F1032 HydrophobicContact CD2-CZ 4.19Å; Y981-F1032 HydrophobicContact CE1-CZ 4.48Å; Y981-F1032 HydrophobicContact CG-CE1 4.03Å; Y981-F1032 AromaticContact CG-CZ 3.53Å; Y981-F1032 HydrophobicContact CG-CZ 3.53Å; Y981-Q1037 HydrophobicContact CE1-CB 3.91Å; Y981-Q1037 HydrophobicContact CE1-CG 4.15Å; Y981-Q1037 WeakPolarHBondContact CE1-O 3.5Å; Y981-Q1037 HydrophobicContact CE2-CB 4.42Å; Y981-Q1037 HydrophobicContact CE2-CG 4.3Å; Y981-Q1037 PolarHBondContact OH-O 3.18Å; Y981-I1040 HydrophobicContact CD1-CB 4.4Å; Y981-I1040 HydrophobicContact CD1-CD1 4.48Å; Y981-I1040 HydrophobicContact CD1-CG2 3.99Å; Y981-I1040 HydrophobicContact CE1-CB 4.22Å; Y981-I1040 HydrophobicContact CE1-CG2 4.13Å; Y981-R1041 VanDerWaalsContact OH-CZ 3.24Å; Y981-R1041 PolarHBondContact OH-NH2 3.33Å
982	I	96.4	Very high	93.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-42.3	174.5	-72.6	170	0	0	0	110.9	V978 G979 R984 L985 L986 L1012 F1016 I1040	V978-I982 HydrophobicContact CG1-CD1 3.75Å; V978-I982 WeakPolarHBondContact O-CG1 3.18Å; V978-I982 PolarHBondContact O-N 2.65Å; G979-I982 PolarHBondContact O-N 2.67Å; I982-R984 VanDerWaalsContact C-N 3.33Å; I982-R984 PolarHBondContact O-N 2.76Å; I982-L985 PolarHBondContact O-N 2.86Å; I982-L985 VanDerWaalsContact O-N 3.16Å; I982-L986 HydrophobicContact CG2-CD1 3.67Å; I982-L986 HydrophobicContact CG2-CG 4.24Å; I982-L986 WeakPolarHBondContact O-CB 3.33Å; I982-L986 WeakPolarHBondContact O-CG 3.31Å; I982-L986 PolarHBondContact O-N 3.38Å; I982-L1012 HydrophobicContact CD1-CB 4.19Å; I982-L1012 HydrophobicContact CG2-CB 4.1Å; I982-F1016 HydrophobicContact CD1-CD2 4.19Å; I982-I1040 HydrophobicContact CD1-CG2 4.16Å; I982-I1040 HydrophobicContact CG1-CG2 3.61Å
983	L	94.2	Very high	93.3	Very high	51 Å²	51	64.4 Å²	64.4	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-54.5	-46.1	171.2	-81.3	168.8	0	0	0	112.2	G979 Y981 L986 K987 F1005 T1009	G979-L983 WeakPolarHBondContact O-CB 3.45Å; G979-L983 WeakPolarHBondContact O-CG 3.07Å; G979-L983 PolarHBondContact O-N 2.72Å; Y981-L983 PolarHBondContact O-N 3.06Å; L983-L986 PolarHBondContact O-N 2.86Å; L983-K987 WeakPolarHBondContact O-CG 3.35Å; L983-K987 PolarHBondContact O-N 3.16Å; L983-K987 VanDerWaalsContact O-N 3.11Å; L983-F1005 HydrophobicContact CD2-CE1 3.57Å; L983-F1005 HydrophobicContact CD2-CZ 3.94Å; L983-T1009 HydrophobicContact CD1-CG2 4.44Å; L983-T1009 HydrophobicContact CD2-CG2 3.65Å; L983-T1009 HydrophobicContact CG-CG2 3.66Å
984	R	94.7	Very high	92.9	Very high	152 Å²	152	62 Å²	62	57%	0.574	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-38.1	177.2	-78.6	178.8	-74.2	169.1	-2.5	112.6	N980 Y981 I982 P988	N980-R984 WeakPolarHBondContact O-CG 3.46Å; N980-R984 PolarHBondContact O-N 2.94Å; N980-R984 PolarHBondContact O-NE 3.41Å; Y981-R984 PolarHBondContact O-N 3.06Å; Y981-R984 VanDerWaalsContact O-N 3.16Å; I982-R984 VanDerWaalsContact C-N 3.33Å; I982-R984 PolarHBondContact O-N 2.76Å; R984-P988 WeakPolarHBondContact O-CD 3.37Å
985	L	95.6	Very high	92.3	Very high	31 Å²	31	68.9 Å²	68.9	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-71.7	-29.2	176.2	-70.9	176.2	0	0	0	113.8	Y981 I982 Y989 I1040 R1041 V1044	Y981-L985 HydrophobicContact CD1-CD1 3.74Å; Y981-L985 HydrophobicContact CD1-CG 4.3Å; Y981-L985 HydrophobicContact CE1-CD1 3.43Å; Y981-L985 VanDerWaalsContact CE1-CD1 3.43Å; Y981-L985 HydrophobicContact CE1-CG 4.08Å; Y981-L985 WeakPolarHBondContact O-CG 3.33Å; Y981-L985 PolarHBondContact O-N 3.41Å; I982-L985 PolarHBondContact O-N 2.86Å; I982-L985 VanDerWaalsContact O-N 3.16Å; L985-Y989 WeakPolarHBondContact O-CD2 3.49Å; L985-I1040 HydrophobicContact CD1-CG2 3.82Å; L985-R1041 HydrophobicContact CD1-CB 4.17Å; L985-R1041 HydrophobicContact CD2-CB 4.32Å; L985-R1041 HydrophobicContact CD2-CG 3.94Å; L985-V1044 HydrophobicContact CB-CG1 4.17Å; L985-V1044 HydrophobicContact CD1-CB 4.4Å; L985-V1044 HydrophobicContact CD1-CG2 4.14Å
986	L	95.2	Very high	91.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-83.5	-25.7	179.3	-68.9	171.3	0	0	0	113	I982 L983 Y989 I999 F1005 I1008 T1009 L1012 V1044 M1048	I982-L986 HydrophobicContact CG2-CD1 3.67Å; I982-L986 HydrophobicContact CG2-CG 4.24Å; I982-L986 WeakPolarHBondContact O-CB 3.33Å; I982-L986 WeakPolarHBondContact O-CG 3.31Å; I982-L986 PolarHBondContact O-N 3.38Å; L983-L986 PolarHBondContact O-N 2.86Å; L986-Y989 WeakPolarHBondContact O-CB 3.37Å; L986-Y989 PolarHBondContact O-N 3.22Å; L986-I999 HydrophobicContact CD2-CD1 4.23Å; L986-F1005 HydrophobicContact CB-CD2 4.28Å; L986-F1005 HydrophobicContact CB-CE2 3.57Å; L986-F1005 HydrophobicContact CB-CZ 4.21Å; L986-I1008 HydrophobicContact CD1-CB 4.39Å; L986-I1008 HydrophobicContact CD1-CG2 3.76Å; L986-I1008 HydrophobicContact CD2-CG2 3.85Å; L986-I1008 HydrophobicContact CG-CG2 4.5Å; L986-T1009 WeakPolarHBondContact CD1-OG1 3.35Å; L986-L1012 HydrophobicContact CD2-CD1 4.4Å; L986-V1044 HydrophobicContact CD2-CG1 3.84Å; L986-V1044 HydrophobicContact CG-CG1 4.41Å; L986-M1048 HydrophobicContact CD2-CG 4.07Å; L986-M1048 HydrophobicContact CD2-SD 3.85Å
987	K	92.5	Very high	91.6	Very high	137 Å²	137	62.3 Å²	62.3	60%	0.596	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-50	-45	-179.8	-85.6	179.9	-179.2	-169.3	0	114.5	L983 Y989 R990 F1005	L983-K987 WeakPolarHBondContact O-CG 3.35Å; L983-K987 PolarHBondContact O-N 3.16Å; L983-K987 VanDerWaalsContact O-N 3.11Å; K987-Y989 PolarHBondContact O-N 2.81Å; K987-R990 PolarHBondContact O-N 2.93Å; K987-F1005 HydrophobicContact CG-CZ 4.26Å
988	P	92.2	Very high	91.5	Very high	69 Å²	69	62.7 Å²	62.7	45%	0.448	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.2	-27.7	176.2	-26.7	36.2	0	0	0	114.6	R984 R990 L991	R984-P988 WeakPolarHBondContact O-CD 3.37Å; P988-R990 PolarHBondContact O-N 2.73Å; P988-L991 WeakPolarHBondContact O-CB 3.4Å; P988-L991 WeakPolarHBondContact O-CG 3.43Å; P988-L991 PolarHBondContact O-N 2.87Å
989	Y	93.9	Very high	91.3	Very high	30 Å²	30	62.8 Å²	62.8	12%	0.118	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-74.9	-6.2	177.6	-63.8	-89.3	0	0	0	113.3	L985 L986 K987 T996 R998 I999 M1048	L985-Y989 WeakPolarHBondContact O-CD2 3.49Å; L986-Y989 WeakPolarHBondContact O-CB 3.37Å; L986-Y989 PolarHBondContact O-N 3.22Å; K987-Y989 PolarHBondContact O-N 2.81Å; Y989-T996 WeakPolarHBondContact CD1-O 3.3Å; Y989-R998 CarbonylContact O-C 3.6Å; Y989-R998 VanDerWaalsContact O-CA 3.26Å; Y989-R998 WeakPolarHBondContact O-CA 3.13Å; Y989-R998 WeakPolarHBondContact O-CG 3.36Å; Y989-I999 PolarHBondContact O-N 2.94Å; Y989-M1048 HydrophobicContact CD1-CB 3.74Å; Y989-M1048 HydrophobicContact CD1-CE 4.46Å; Y989-M1048 HydrophobicContact CD1-CG 4.06Å; Y989-M1048 HydrophobicContact CD2-CG 4.19Å; Y989-M1048 HydrophobicContact CE1-CB 3.38Å; Y989-M1048 HydrophobicContact CE1-CG 3.97Å; Y989-M1048 HydrophobicContact CE2-CB 4.33Å; Y989-M1048 HydrophobicContact CE2-CG 4.08Å; Y989-M1048 HydrophobicContact CG-CB 4.37Å; Y989-M1048 HydrophobicContact CG-CE 4.49Å; Y989-M1048 HydrophobicContact CG-CG 4.19Å
990	R	92.3	Very high	91.1	Very high	92 Å²	92	66.6 Å²	66.6	35%	0.347	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-91.2	-5.6	168.7	-60.3	-154.1	75.8	-179.3	-0.1	113.9	K987 P988 I999 D1000 N1002 F1005	K987-R990 PolarHBondContact O-N 2.93Å; P988-R990 PolarHBondContact O-N 2.73Å; R990-I999 HydrophobicContact CG-CB 4.31Å; R990-I999 PolarHBondContact NE-O 3.38Å; R990-D1000 PolarHBondContact NH2-O 2.8Å; R990-N1002 VanDerWaalsContact CZ-OD1 3.26Å; R990-N1002 PolarHBondContact NH1-OD1 3.21Å; R990-N1002 PolarHBondContact NH2-OD1 3.21Å; R990-F1005 HydrophobicContact CG-CD2 3.7Å; R990-F1005 HydrophobicContact CG-CE2 3.91Å; R990-F1005 HydrophobicContact CG-CG 4.49Å
991	L	88.1	Confident	90.8	Very high	91 Å²	91	65.1 Å²	65.1	48%	0.476	33%	0.331	S	S	.	.	S	Bend	trans	-72.2	138.7	179.5	-61.9	174	0	0	0	110.3	P988 N993 C994	P988-L991 WeakPolarHBondContact O-CB 3.4Å; P988-L991 WeakPolarHBondContact O-CG 3.43Å; P988-L991 PolarHBondContact O-N 2.87Å; L991-N993 VanDerWaalsContact CB-OD1 3.26Å; L991-N993 WeakPolarHBondContact CB-OD1 3.37Å; L991-N993 PolarHBondContact O-N 3.26Å; L991-N993 VanDerWaalsContact O-N 3.1Å; L991-C994 VanDerWaalsContact O-CB 3.29Å; L991-C994 WeakPolarHBondContact O-CB 3.38Å; L991-C994 PolarHBondContact O-N 3.36Å
992	P	82.6	Confident	90.5	Very high	118 Å²	118	69.3 Å²	69.3	77%	0.766	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.3	-177.1	-27.4	35.3	0	0	0	114.5	C994	P992-C994 VanDerWaalsContact C-N 3.34Å
993	N	87.1	Confident	90.1	Very high	125 Å²	125	75.3 Å²	75.3	67%	0.668	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5.7	178.4	66.7	-21	0	0	0	114.2	L991 L995	L991-N993 VanDerWaalsContact CB-OD1 3.26Å; L991-N993 WeakPolarHBondContact CB-OD1 3.37Å; L991-N993 PolarHBondContact O-N 3.26Å; L991-N993 VanDerWaalsContact O-N 3.1Å; N993-L995 PolarHBondContact O-N 3.39Å
994	C	84.1	Confident	90	Very high	26 Å²	26	73.9 Å²	73.9	18%	0.176	38%	0.376	C	S	.	.			trans	-70.4	117	173.6	-169.9	0	0	0	0	110.5	L991 P992 T996 R998	L991-C994 VanDerWaalsContact O-CB 3.29Å; L991-C994 WeakPolarHBondContact O-CB 3.38Å; L991-C994 PolarHBondContact O-N 3.36Å; P992-C994 VanDerWaalsContact C-N 3.34Å; C994-T996 PolarHBondContact SG-O 2.77Å; C994-R998 HydrophobicContact CB-CB 4.26Å; C994-R998 HydrophobicContact CB-CG 4.06Å
995	L	82.4	Confident	90	Very high	149 Å²	149	67.7 Å²	67.7	78%	0.78	35%	0.353	S	S	*	.			trans	-81.2	-21	-172.8	-59	177.9	0	0	0	114.3	N993	N993-L995 PolarHBondContact O-N 3.39Å
996	T	87.2	Confident	89.8	Confident	60 Å²	60	69.8 Å²	69.8	37%	0.368	36%	0.364	S	S	.	.	S	Bend	trans	-143.9	128.1	-174.9	59.3	0	0	0	0	111.7	Y989 C994	Y989-T996 WeakPolarHBondContact CD1-O 3.3Å; C994-T996 PolarHBondContact SG-O 2.77Å
997	G	87.2	Confident	89.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	73.6	25.1	-179.8	0	0	0	0	0	113.7	I999 M1048 G1052 P1053	G997-I999 PolarHBondContact O-N 3.22Å; G997-M1048 VanDerWaalsContact CA-O 3.29Å; G997-M1048 WeakPolarHBondContact CA-O 3.46Å; G997-M1048 WeakPolarHBondContact O-CE 3.49Å; G997-G1052 PolarHBondContact N-O 2.88Å; G997-P1053 PolarHBondContact N-O 2.94Å
998	R	92.4	Very high	89.6	Confident	74 Å²	74	66.1 Å²	66.1	28%	0.279	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-60	135.5	-178.6	-163.6	-177.2	73.7	-145.6	-2.6	111.2	Y989 C994 D1000 P1053 Y1055	Y989-R998 CarbonylContact O-C 3.6Å; Y989-R998 VanDerWaalsContact O-CA 3.26Å; Y989-R998 WeakPolarHBondContact O-CA 3.13Å; Y989-R998 WeakPolarHBondContact O-CG 3.36Å; C994-R998 HydrophobicContact CB-CB 4.26Å; C994-R998 HydrophobicContact CB-CG 4.06Å; R998-D1000 IonicContact CZ-OD1 2.73Å; R998-D1000 IonicContact CZ-OD2 2.65Å; R998-D1000 IonicContact NE-OD1 3.97Å; R998-D1000 PolarHBondContact NE-OD1 3.07Å; R998-D1000 IonicContact NE-OD2 3.23Å; R998-D1000 IonicContact NH2-OD1 2.71Å; R998-D1000 PolarHBondContact NH2-OD1 2.85Å; R998-D1000 IonicContact NH2-OD2 3.25Å; R998-D1000 PolarHBondContact NH2-OD2 3.31Å; R998-P1053 PolarHBondContact N-O 2.77Å; R998-Y1055 PolarHBondContact O-N 2.78Å
999	I	93.3	Very high	89.7	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	33%	0.331	C	S	.	.			trans	-110.8	99.7	-174.4	-49.4	166.7	0	0	0	109.9	L986 Y989 R990 G997 D1004 F1005 I1008 M1048	L986-I999 HydrophobicContact CD2-CD1 4.23Å; Y989-I999 PolarHBondContact O-N 2.94Å; R990-I999 HydrophobicContact CG-CB 4.31Å; R990-I999 PolarHBondContact NE-O 3.38Å; G997-I999 PolarHBondContact O-N 3.22Å; I999-D1004 HydrophobicContact CG2-CB 4.23Å; I999-F1005 HydrophobicContact CD1-CD2 3.99Å; I999-F1005 HydrophobicContact CG2-CB 3.89Å; I999-F1005 HydrophobicContact CG2-CD2 4.48Å; I999-I1008 HydrophobicContact CD1-CD1 3.73Å; I999-I1008 HydrophobicContact CG1-CD1 3.9Å; I999-I1008 HydrophobicContact CG2-CD1 4.16Å; I999-M1048 HydrophobicContact CD1-CE 3.67Å; I999-M1048 HydrophobicContact CG1-CE 3.6Å
1000	D	89.2	Confident	89.7	Confident	90 Å²	90	66.4 Å²	66.4	48%	0.481	34%	0.344	S	S	.	.			trans	-83.5	-37.2	-172.2	-63.5	-5.6	0	0	0	112.1	R990 R998 V1054	R990-D1000 PolarHBondContact NH2-O 2.8Å; R998-D1000 IonicContact CZ-OD1 2.73Å; R998-D1000 IonicContact CZ-OD2 2.65Å; R998-D1000 IonicContact NE-OD1 3.97Å; R998-D1000 PolarHBondContact NE-OD1 3.07Å; R998-D1000 IonicContact NE-OD2 3.23Å; R998-D1000 IonicContact NH2-OD1 2.71Å; R998-D1000 PolarHBondContact NH2-OD1 2.85Å; R998-D1000 IonicContact NH2-OD2 3.25Å; R998-D1000 PolarHBondContact NH2-OD2 3.31Å; D1000-V1054 WeakPolarHBondContact OD2-CG1 3.48Å
1001	S	89.2	Confident	89.8	Confident	52 Å²	52	66.5 Å²	66.5	36%	0.364	35%	0.347	S	S	.	.			trans	-90.8	144.8	-179.2	171.8	0	0	0	0	114.3	E1003 F1005	S1001-E1003 PolarHBondContact OG-N 3.39Å; S1001-F1005 PolarHBondContact O-N 3.45Å; S1001-F1005 VanDerWaalsContact O-N 3.14Å
1002	N	90.9	Very high	90.1	Very high	105 Å²	105	62.7 Å²	62.7	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-45	170.6	-75.6	-9.6	0	0	0	111.9	R990 D1004 F1005 L1006	R990-N1002 VanDerWaalsContact CZ-OD1 3.26Å; R990-N1002 PolarHBondContact NH1-OD1 3.21Å; R990-N1002 PolarHBondContact NH2-OD1 3.21Å; N1002-D1004 VanDerWaalsContact C-N 3.33Å; N1002-D1004 PolarHBondContact O-N 3.25Å; N1002-F1005 WeakPolarHBondContact O-CB 3.32Å; N1002-F1005 PolarHBondContact O-N 3.41Å; N1002-L1006 WeakPolarHBondContact O-CG 3.46Å; N1002-L1006 PolarHBondContact O-N 3.23Å
1003	E	87.9	Confident	90.7	Very high	126 Å²	126	58 Å²	58	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-61.1	-42	179.1	-66.1	177.7	-148.3	0	0	112.1	S1001 F1005 L1006 H1007 R1057	S1001-E1003 PolarHBondContact OG-N 3.39Å; E1003-F1005 VanDerWaalsContact C-N 3.33Å; E1003-L1006 PolarHBondContact O-N 2.87Å; E1003-H1007 VanDerWaalsContact O-CB 3.25Å; E1003-H1007 WeakPolarHBondContact O-CB 3.28Å; E1003-H1007 PolarHBondContact O-N 2.85Å; E1003-R1057 IonicContact OE2-NH1 2.76Å; E1003-R1057 IonicContact OE2-NH2 2.85Å; E1003-R1057 PolarHBondContact OE2-NH2 3.12Å
1004	D	91.5	Very high	91	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-34	179.2	-95.9	-7.4	0	0	0	111.1	I999 N1002 H1007 I1008 Y1055 R1057	I999-D1004 HydrophobicContact CG2-CB 4.23Å; N1002-D1004 VanDerWaalsContact C-N 3.33Å; N1002-D1004 PolarHBondContact O-N 3.25Å; D1004-H1007 PolarHBondContact O-N 3.28Å; D1004-I1008 WeakPolarHBondContact O-CB 3.45Å; D1004-I1008 WeakPolarHBondContact O-CD1 3.33Å; D1004-I1008 WeakPolarHBondContact O-CG1 3.07Å; D1004-I1008 PolarHBondContact O-N 2.84Å; D1004-Y1055 HydrophobicContact CB-CD1 4.03Å; D1004-Y1055 HydrophobicContact CB-CE1 4.02Å; D1004-Y1055 VanDerWaalsContact CG-CE1 3.45Å; D1004-Y1055 VanDerWaalsContact OD2-CD1 3.26Å; D1004-Y1055 WeakPolarHBondContact OD2-CD1 3.36Å; D1004-Y1055 VanDerWaalsContact OD2-CE1 3.25Å; D1004-Y1055 WeakPolarHBondContact OD2-CE1 3.02Å; D1004-R1057 IonicContact OD1-CZ 3.06Å; D1004-R1057 IonicContact OD1-NE 2.66Å; D1004-R1057 PolarHBondContact OD1-NE 3.36Å; D1004-R1057 IonicContact OD1-NH2 3.18Å; D1004-R1057 PolarHBondContact OD1-NH2 2.79Å; D1004-R1057 PolarHBondContact OD2-N 2.73Å
1005	F	94.4	Very high	91.4	Very high	21 Å²	21	59.3 Å²	59.3	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-44.9	170.4	-174.3	-100.6	0	0	0	112.2	L983 L986 K987 R990 I999 S1001 N1002 E1003 T1009	L983-F1005 HydrophobicContact CD2-CE1 3.57Å; L983-F1005 HydrophobicContact CD2-CZ 3.94Å; L986-F1005 HydrophobicContact CB-CD2 4.28Å; L986-F1005 HydrophobicContact CB-CE2 3.57Å; L986-F1005 HydrophobicContact CB-CZ 4.21Å; K987-F1005 HydrophobicContact CG-CZ 4.26Å; R990-F1005 HydrophobicContact CG-CD2 3.7Å; R990-F1005 HydrophobicContact CG-CE2 3.91Å; R990-F1005 HydrophobicContact CG-CG 4.49Å; I999-F1005 HydrophobicContact CD1-CD2 3.99Å; I999-F1005 HydrophobicContact CG2-CB 3.89Å; I999-F1005 HydrophobicContact CG2-CD2 4.48Å; S1001-F1005 PolarHBondContact O-N 3.45Å; S1001-F1005 VanDerWaalsContact O-N 3.14Å; N1002-F1005 WeakPolarHBondContact O-CB 3.32Å; N1002-F1005 PolarHBondContact O-N 3.41Å; E1003-F1005 VanDerWaalsContact C-N 3.33Å; F1005-T1009 VanDerWaalsContact O-CB 3.31Å; F1005-T1009 WeakPolarHBondContact O-CB 3.06Å; F1005-T1009 PolarHBondContact O-N 2.83Å; F1005-T1009 PolarHBondContact O-OG1 2.98Å
1006	L	92	Very high	92	Very high	75 Å²	75	53.1 Å²	53.1	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-44.2	175.4	-70.1	170.9	0	0	0	112	N1002 E1003 T1009 K1010	N1002-L1006 WeakPolarHBondContact O-CG 3.46Å; N1002-L1006 PolarHBondContact O-N 3.23Å; E1003-L1006 PolarHBondContact O-N 2.87Å; L1006-T1009 WeakPolarHBondContact O-CB 3.46Å; L1006-T1009 PolarHBondContact O-N 3Å; L1006-K1010 PolarHBondContact O-N 2.71Å
1007	H	91.8	Very high	92.4	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-48.5	177.7	178	86.3	0	0	0	111.7	E1003 D1004 T1009 K1011	E1003-H1007 VanDerWaalsContact O-CB 3.25Å; E1003-H1007 WeakPolarHBondContact O-CB 3.28Å; E1003-H1007 PolarHBondContact O-N 2.85Å; D1004-H1007 PolarHBondContact O-N 3.28Å; H1007-T1009 VanDerWaalsContact C-N 3.29Å; H1007-T1009 PolarHBondContact O-N 2.81Å; H1007-K1011 PolarHBondContact NE2-NZ 3.35Å; H1007-K1011 VanDerWaalsContact NE2-NZ 3.15Å; H1007-K1011 WeakPolarHBondContact O-CB 3.17Å; H1007-K1011 PolarHBondContact O-N 3Å
1008	I	92.3	Very high	92.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.5	-63.8	159.3	0	0	0	109.6	L986 I999 D1004 L1012 Y1047 M1048 Y1055	L986-I1008 HydrophobicContact CD1-CB 4.39Å; L986-I1008 HydrophobicContact CD1-CG2 3.76Å; L986-I1008 HydrophobicContact CD2-CG2 3.85Å; L986-I1008 HydrophobicContact CG-CG2 4.5Å; I999-I1008 HydrophobicContact CD1-CD1 3.73Å; I999-I1008 HydrophobicContact CG1-CD1 3.9Å; I999-I1008 HydrophobicContact CG2-CD1 4.16Å; D1004-I1008 WeakPolarHBondContact O-CB 3.45Å; D1004-I1008 WeakPolarHBondContact O-CD1 3.33Å; D1004-I1008 WeakPolarHBondContact O-CG1 3.07Å; D1004-I1008 PolarHBondContact O-N 2.84Å; I1008-L1012 HydrophobicContact CG2-CD1 3.55Å; I1008-L1012 HydrophobicContact CG2-CG 4.09Å; I1008-L1012 WeakPolarHBondContact O-CB 3.47Å; I1008-L1012 VanDerWaalsContact O-CG 3.3Å; I1008-L1012 WeakPolarHBondContact O-CG 3.49Å; I1008-L1012 PolarHBondContact O-N 3.18Å; I1008-Y1047 HydrophobicContact CG2-CE1 4.28Å; I1008-M1048 HydrophobicContact CD1-CE 4.21Å; I1008-M1048 HydrophobicContact CG2-SD 4.1Å; I1008-Y1055 HydrophobicContact CD1-CD1 3.79Å; I1008-Y1055 HydrophobicContact CD1-CD2 3.6Å; I1008-Y1055 HydrophobicContact CD1-CE1 3.78Å; I1008-Y1055 HydrophobicContact CD1-CE2 3.61Å; I1008-Y1055 HydrophobicContact CD1-CG 3.71Å; I1008-Y1055 HydrophobicContact CG1-CD1 4.49Å; I1008-Y1055 HydrophobicContact CG1-CD2 4.21Å; I1008-Y1055 HydrophobicContact CG1-CE1 3.98Å; I1008-Y1055 HydrophobicContact CG1-CE2 3.67Å
1009	T	94.9	Very high	92.5	Very high	12 Å²	12	55 Å²	55	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-58.2	176.9	-61.2	0	0	0	0	111.9	L983 L986 F1005 L1006 H1007 K1011 L1012 T1013	L983-T1009 HydrophobicContact CD1-CG2 4.44Å; L983-T1009 HydrophobicContact CD2-CG2 3.65Å; L983-T1009 HydrophobicContact CG-CG2 3.66Å; L986-T1009 WeakPolarHBondContact CD1-OG1 3.35Å; F1005-T1009 VanDerWaalsContact O-CB 3.31Å; F1005-T1009 WeakPolarHBondContact O-CB 3.06Å; F1005-T1009 PolarHBondContact O-N 2.83Å; F1005-T1009 PolarHBondContact O-OG1 2.98Å; L1006-T1009 WeakPolarHBondContact O-CB 3.46Å; L1006-T1009 PolarHBondContact O-N 3Å; H1007-T1009 VanDerWaalsContact C-N 3.29Å; H1007-T1009 PolarHBondContact O-N 2.81Å; T1009-K1011 VanDerWaalsContact C-N 3.28Å; T1009-K1011 PolarHBondContact O-N 2.8Å; T1009-L1012 PolarHBondContact O-N 3.01Å; T1009-T1013 VanDerWaalsContact O-CB 3.24Å; T1009-T1013 WeakPolarHBondContact O-CB 3.38Å; T1009-T1013 PolarHBondContact O-N 2.81Å; T1009-T1013 PolarHBondContact O-OG1 3.11Å
1010	K	93.5	Very high	92.5	Very high	93 Å²	93	56 Å²	56	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-42.9	-179.8	-70.7	-173	176.9	-170.2	0	110.1	A673 D675 L1006 H1014	A673-K1010 PolarHBondContact O-NZ 2.65Å; D675-K1010 IonicContact OD2-NZ 3.05Å; D675-K1010 PolarHBondContact OD2-NZ 2.97Å; L1006-K1010 PolarHBondContact O-N 2.71Å; K1010-H1014 WeakPolarHBondContact O-CB 3.48Å; K1010-H1014 PolarHBondContact O-N 2.79Å
1011	K	93.7	Very high	92.5	Very high	95 Å²	95	54.2 Å²	54.2	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-47.7	179.6	-175.7	179.8	-156.7	154.7	0	114.8	H1007 T1009 S1015	H1007-K1011 PolarHBondContact NE2-NZ 3.35Å; H1007-K1011 VanDerWaalsContact NE2-NZ 3.15Å; H1007-K1011 WeakPolarHBondContact O-CB 3.17Å; H1007-K1011 PolarHBondContact O-N 3Å; T1009-K1011 VanDerWaalsContact C-N 3.28Å; T1009-K1011 PolarHBondContact O-N 2.8Å; K1011-S1015 WeakPolarHBondContact O-CB 3.38Å; K1011-S1015 PolarHBondContact O-N 3.46Å
1012	L	94.6	Very high	92.4	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-71.2	-38.4	179.3	-67.9	179.2	0	0	0	110.6	I982 L986 I1008 T1009 S1015 F1016 V1044 Y1047	I982-L1012 HydrophobicContact CD1-CB 4.19Å; I982-L1012 HydrophobicContact CG2-CB 4.1Å; L986-L1012 HydrophobicContact CD2-CD1 4.4Å; I1008-L1012 HydrophobicContact CG2-CD1 3.55Å; I1008-L1012 HydrophobicContact CG2-CG 4.09Å; I1008-L1012 WeakPolarHBondContact O-CB 3.47Å; I1008-L1012 VanDerWaalsContact O-CG 3.3Å; I1008-L1012 WeakPolarHBondContact O-CG 3.49Å; I1008-L1012 PolarHBondContact O-N 3.18Å; T1009-L1012 PolarHBondContact O-N 3.01Å; L1012-S1015 PolarHBondContact O-N 2.8Å; L1012-F1016 WeakPolarHBondContact O-CD2 3Å; L1012-F1016 PolarHBondContact O-N 2.97Å; L1012-F1016 VanDerWaalsContact O-N 3.08Å; L1012-V1044 HydrophobicContact CD1-CG2 4.18Å; L1012-Y1047 HydrophobicContact CD1-CD1 4.13Å; L1012-Y1047 HydrophobicContact CD2-CD1 4.16Å; L1012-Y1047 HydrophobicContact CD2-CD2 4.42Å; L1012-Y1047 HydrophobicContact CD2-CE1 4.41Å; L1012-Y1047 HydrophobicContact CD2-CG 4.16Å
1013	T	96	Very high	92.1	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-53.9	174.3	-55.1	0	0	0	0	110.7	V978 T1009 S1015 F1016 V1017	V978-T1013 HydrophobicContact CG1-CG2 4.28Å; T1009-T1013 VanDerWaalsContact O-CB 3.24Å; T1009-T1013 WeakPolarHBondContact O-CB 3.38Å; T1009-T1013 PolarHBondContact O-N 2.81Å; T1009-T1013 PolarHBondContact O-OG1 3.11Å; T1013-S1015 VanDerWaalsContact C-N 3.32Å; T1013-S1015 PolarHBondContact O-N 2.91Å; T1013-F1016 PolarHBondContact O-N 2.56Å; T1013-F1016 VanDerWaalsContact O-N 3.17Å; T1013-V1017 HydrophobicContact CG2-CG2 4.05Å; T1013-V1017 WeakPolarHBondContact O-CB 2.94Å; T1013-V1017 VanDerWaalsContact O-CG2 3.3Å; T1013-V1017 WeakPolarHBondContact O-CG2 3.44Å; T1013-V1017 PolarHBondContact O-N 3.32Å
1014	H	93.1	Very high	92.1	Very high	130 Å²	130	58.7 Å²	58.7	60%	0.602	28%	0.278	S	S	*	.	H	α-helix	trans	-56.7	-43.9	174.7	-176.5	-85.6	0	0	0	112	K1010 F1016 V1017 S1018	K1010-H1014 WeakPolarHBondContact O-CB 3.48Å; K1010-H1014 PolarHBondContact O-N 2.79Å; H1014-F1016 PolarHBondContact O-N 3.25Å; H1014-V1017 PolarHBondContact O-N 3.05Å; H1014-S1018 PolarHBondContact CE1-OG 3.48Å; H1014-S1018 VanDerWaalsContact CE1-OG 3.32Å; H1014-S1018 PolarHBondContact NE2-OG 2.94Å; H1014-S1018 VanDerWaalsContact O-CB 3.29Å; H1014-S1018 WeakPolarHBondContact O-CB 3.16Å; H1014-S1018 PolarHBondContact O-N 2.94Å; H1014-S1018 PolarHBondContact O-OG 3.38Å
1015	S	92.5	Very high	91.8	Very high	50 Å²	50	59.8 Å²	59.8	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-28.1	-179.9	-160.2	0	0	0	0	114.3	K1011 L1012 T1013 K1019	K1011-S1015 WeakPolarHBondContact O-CB 3.38Å; K1011-S1015 PolarHBondContact O-N 3.46Å; L1012-S1015 PolarHBondContact O-N 2.8Å; T1013-S1015 VanDerWaalsContact C-N 3.32Å; T1013-S1015 PolarHBondContact O-N 2.91Å; S1015-K1019 WeakPolarHBondContact O-CD 3.37Å; S1015-K1019 VanDerWaalsContact O-CG 3.27Å; S1015-K1019 WeakPolarHBondContact O-CG 3.11Å
1016	F	94.9	Very high	91.2	Very high	19 Å²	19	61.6 Å²	61.6	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-88.9	-48.2	174.6	-84.6	-72	0	0	0	112.8	V978 I982 L1012 T1013 H1014 S1018 K1019 E1020 L1036 I1040	V978-F1016 HydrophobicContact CG1-CB 4.04Å; I982-F1016 HydrophobicContact CD1-CD2 4.19Å; L1012-F1016 WeakPolarHBondContact O-CD2 3Å; L1012-F1016 PolarHBondContact O-N 2.97Å; L1012-F1016 VanDerWaalsContact O-N 3.08Å; T1013-F1016 PolarHBondContact O-N 2.56Å; T1013-F1016 VanDerWaalsContact O-N 3.17Å; H1014-F1016 PolarHBondContact O-N 3.25Å; F1016-S1018 PolarHBondContact O-N 3.18Å; F1016-K1019 PolarHBondContact O-N 2.75Å; F1016-E1020 PolarHBondContact O-N 3.12Å; F1016-E1020 VanDerWaalsContact O-N 3.11Å; F1016-L1036 HydrophobicContact CD1-CD1 4.24Å; F1016-I1040 HydrophobicContact CD1-CD1 4.49Å; F1016-I1040 HydrophobicContact CD1-CG1 3.66Å; F1016-I1040 HydrophobicContact CD2-CG1 3.97Å; F1016-I1040 HydrophobicContact CD2-CG2 4.46Å; F1016-I1040 HydrophobicContact CE1-CG1 3.79Å; F1016-I1040 HydrophobicContact CE2-CB 4.39Å; F1016-I1040 HydrophobicContact CE2-CG1 4.08Å; F1016-I1040 HydrophobicContact CE2-CG2 4.34Å; F1016-I1040 HydrophobicContact CG-CD1 4.4Å; F1016-I1040 HydrophobicContact CG-CG1 3.76Å; F1016-I1040 HydrophobicContact CZ-CB 4.37Å; F1016-I1040 HydrophobicContact CZ-CG1 4.01Å
1017	V	94.9	Very high	90.6	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-49.2	-179.5	172.6	0	0	0	0	110.6	F974 T975 V978 T1013 H1014 K1019 E1020 L1021	F974-V1017 HydrophobicContact CE1-CG2 4.46Å; T975-V1017 HydrophobicContact CG2-CG1 4.24Å; T975-V1017 HydrophobicContact CG2-CG2 4.22Å; T975-V1017 WeakPolarHBondContact OG1-CG1 3.4Å; V978-V1017 HydrophobicContact CB-CG2 3.92Å; V978-V1017 HydrophobicContact CG1-CG2 3.88Å; V978-V1017 HydrophobicContact CG2-CG2 4.19Å; T1013-V1017 HydrophobicContact CG2-CG2 4.05Å; T1013-V1017 WeakPolarHBondContact O-CB 2.94Å; T1013-V1017 VanDerWaalsContact O-CG2 3.3Å; T1013-V1017 WeakPolarHBondContact O-CG2 3.44Å; T1013-V1017 PolarHBondContact O-N 3.32Å; H1014-V1017 PolarHBondContact O-N 3.05Å; V1017-K1019 PolarHBondContact O-N 3.09Å; V1017-K1019 VanDerWaalsContact O-N 3.1Å; V1017-E1020 PolarHBondContact O-N 2.94Å; V1017-L1021 HydrophobicContact CG1-CD1 3.49Å; V1017-L1021 VanDerWaalsContact CG1-CD1 3.49Å; V1017-L1021 HydrophobicContact CG1-CG 3.89Å; V1017-L1021 WeakPolarHBondContact O-CB 3.34Å; V1017-L1021 WeakPolarHBondContact O-CG 3.36Å; V1017-L1021 PolarHBondContact O-N 2.83Å
1018	S	91.7	Very high	90.3	Very high	41 Å²	41	62.5 Å²	62.5	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-68.5	-8.4	177.9	-48.5	0	0	0	0	114.6	H1014 F1016 K1022	H1014-S1018 PolarHBondContact CE1-OG 3.48Å; H1014-S1018 VanDerWaalsContact CE1-OG 3.32Å; H1014-S1018 PolarHBondContact NE2-OG 2.94Å; H1014-S1018 VanDerWaalsContact O-CB 3.29Å; H1014-S1018 WeakPolarHBondContact O-CB 3.16Å; H1014-S1018 PolarHBondContact O-N 2.94Å; H1014-S1018 PolarHBondContact O-OG 3.38Å; F1016-S1018 PolarHBondContact O-N 3.18Å; S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 VanDerWaalsContact O-CG 3.28Å; S1018-K1022 WeakPolarHBondContact O-CG 3.12Å
1019	K	91.3	Very high	89.9	Confident	119 Å²	119	64.2 Å²	64.2	52%	0.517	33%	0.334	S	S	.	.	H	α-helix	trans	-91.6	-40	172.7	-80.1	178.1	-173.8	159.9	0	112.4	S1015 F1016 V1017 R1023	S1015-K1019 WeakPolarHBondContact O-CD 3.37Å; S1015-K1019 VanDerWaalsContact O-CG 3.27Å; S1015-K1019 WeakPolarHBondContact O-CG 3.11Å; F1016-K1019 PolarHBondContact O-N 2.75Å; V1017-K1019 PolarHBondContact O-N 3.09Å; V1017-K1019 VanDerWaalsContact O-N 3.1Å; K1019-R1023 WeakPolarHBondContact O-CD 3.43Å
1020	E	91.6	Very high	89.7	Confident	26 Å²	26	64.2 Å²	64.2	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-85.4	-32.9	179.6	-56.1	-61.5	-175.5	0	0	112.4	F974 F1016 V1017 K1022 R1023 S1024 L1036 R1039	F974-E1020 HydrophobicContact CE1-CB 4.13Å; F974-E1020 HydrophobicContact CZ-CB 3.8Å; F974-E1020 HydrophobicContact CZ-CG 4.24Å; F1016-E1020 PolarHBondContact O-N 3.12Å; F1016-E1020 VanDerWaalsContact O-N 3.11Å; V1017-E1020 PolarHBondContact O-N 2.94Å; E1020-K1022 PolarHBondContact O-N 3.09Å; E1020-R1023 CarbonylContact O-C 3.59Å; E1020-R1023 WeakPolarHBondContact O-CA 3.33Å; E1020-R1023 WeakPolarHBondContact O-CB 3.35Å; E1020-R1023 PolarHBondContact O-N 3.32Å; E1020-R1023 IonicContact OE1-NH1 2.63Å; E1020-R1023 VanDerWaalsContact OE2-CD 3.24Å; E1020-R1023 WeakPolarHBondContact OE2-CD 3.29Å; E1020-R1023 IonicContact OE2-NH1 3.21Å; E1020-R1023 PolarHBondContact OE2-NH1 2.93Å; E1020-S1024 PolarHBondContact O-N 3.31Å; E1020-L1036 HydrophobicContact CG-CD1 4.01Å; E1020-L1036 HydrophobicContact CG-CD2 4.28Å; E1020-R1039 IonicContact OE1-CZ 2.67Å; E1020-R1039 IonicContact OE1-NH1 2.78Å; E1020-R1039 PolarHBondContact OE1-NH1 3.31Å; E1020-R1039 IonicContact OE1-NH2 3.18Å; E1020-R1039 PolarHBondContact OE1-NH2 3.5Å
1021	L	89.9	Confident	89.5	Confident	52 Å²	52	64 Å²	64	27%	0.272	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	170.8	-67.1	-171.9	0	0	0	113.3	K971 F974 V1017 R1023 P1030	K971-L1021 HydrophobicContact CB-CD2 4.18Å; K971-L1021 HydrophobicContact CD-CD2 4.41Å; K971-L1021 HydrophobicContact CG-CD2 3.85Å; F974-L1021 HydrophobicContact CD1-CD2 4.18Å; F974-L1021 HydrophobicContact CE1-CD2 4.46Å; V1017-L1021 HydrophobicContact CG1-CD1 3.49Å; V1017-L1021 VanDerWaalsContact CG1-CD1 3.49Å; V1017-L1021 HydrophobicContact CG1-CG 3.89Å; V1017-L1021 WeakPolarHBondContact O-CB 3.34Å; V1017-L1021 WeakPolarHBondContact O-CG 3.36Å; V1017-L1021 PolarHBondContact O-N 2.83Å; L1021-R1023 PolarHBondContact O-N 2.86Å; L1021-P1030 HydrophobicContact CD2-CB 3.99Å; L1021-P1030 HydrophobicContact CD2-CG 3.79Å
1022	K	87.5	Confident	89.6	Confident	183 Å²	183	61 Å²	61	80%	0.796	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.8	169.4	-77.8	-173.6	178.6	-169.3	0	113.9	S1018 E1020	S1018-K1022 WeakPolarHBondContact O-CD 3.36Å; S1018-K1022 VanDerWaalsContact O-CG 3.28Å; S1018-K1022 WeakPolarHBondContact O-CG 3.12Å; E1020-K1022 PolarHBondContact O-N 3.09Å
1023	R	85.1	Confident	89.4	Confident	174 Å²	174	63.1 Å²	63.1	66%	0.657	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-15.9	-178	-66.7	167.3	165.3	-169	-9.8	112.9	K1019 E1020 L1021	K1019-R1023 WeakPolarHBondContact O-CD 3.43Å; E1020-R1023 CarbonylContact O-C 3.59Å; E1020-R1023 WeakPolarHBondContact O-CA 3.33Å; E1020-R1023 WeakPolarHBondContact O-CB 3.35Å; E1020-R1023 PolarHBondContact O-N 3.32Å; E1020-R1023 IonicContact OE1-NH1 2.63Å; E1020-R1023 VanDerWaalsContact OE2-CD 3.24Å; E1020-R1023 WeakPolarHBondContact OE2-CD 3.29Å; E1020-R1023 IonicContact OE2-NH1 3.21Å; E1020-R1023 PolarHBondContact OE2-NH1 2.93Å; L1021-R1023 PolarHBondContact O-N 2.86Å
1024	S	86.5	Confident	89.2	Confident	20 Å²	20	68.4 Å²	68.4	14%	0.14	37%	0.371	C	S	.	.			trans	-83.6	153.1	174.5	61.4	0	0	0	0	112.4	Y967 E1020 S1028	Y967-S1024 VanDerWaalsContact OH-C 3.24Å; Y967-S1024 PolarHBondContact OH-O 3.07Å; Y967-S1024 VanDerWaalsContact OH-O 3.11Å; Y967-S1024 PolarHBondContact OH-OG 2.8Å; Y967-S1024 VanDerWaalsContact OH-OG 3.07Å; E1020-S1024 PolarHBondContact O-N 3.31Å; S1024-S1028 WeakPolarHBondContact CA-O 3.48Å; S1024-S1028 WeakPolarHBondContact CB-O 3.22Å
1025	S	84.9	Confident	89.2	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-138.7	176.8	169.5	73.3	0	0	0	0	109.5	Y967 A1027 S1028 P1029	Y967-S1025 VanDerWaalsContact CE2-O 3.29Å; Y967-S1025 WeakPolarHBondContact CE2-O 3.2Å; Y967-S1025 VanDerWaalsContact CZ-C 3.46Å; Y967-S1025 WeakPolarHBondContact OH-CA 2.98Å; Y967-S1025 PolarHBondContact OH-N 2.89Å; S1025-A1027 PolarHBondContact O-N 2.65Å; S1025-A1027 PolarHBondContact OG-N 2.85Å; S1025-S1028 PolarHBondContact N-O 2.87Å; S1025-S1028 PolarHBondContact N-OG 3.23Å; S1025-S1028 VanDerWaalsContact N-OG 3.11Å; S1025-S1028 CarbonylContact O-C 3.58Å; S1025-S1028 PolarHBondContact O-N 3.06Å; S1025-S1028 PolarHBondContact OG-N 3.47Å; S1025-S1028 VanDerWaalsContact OG-N 3.16Å; S1025-S1028 PolarHBondContact OG-OG 2.9Å; S1025-P1029 WeakPolarHBondContact O-CA 3.39Å; S1025-P1029 VanDerWaalsContact O-N 3.14Å
1026	I	82.2	Confident	89.2	Confident	58 Å²	58	62.1 Å²	62.1	30%	0.297	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.3	171.2	-67.3	174.8	0	0	0	110.8	L962 E964 Y967 S1028	L962-I1026 HydrophobicContact CB-CG2 4.14Å; L962-I1026 VanDerWaalsContact O-CG2 3.3Å; L962-I1026 WeakPolarHBondContact O-CG2 3.3Å; E964-I1026 HydrophobicContact CB-CD1 4.27Å; E964-I1026 HydrophobicContact CG-CD1 4.27Å; Y967-I1026 HydrophobicContact CD1-CB 4.49Å; Y967-I1026 HydrophobicContact CD1-CD1 4.26Å; Y967-I1026 HydrophobicContact CD1-CG1 3.36Å; Y967-I1026 HydrophobicContact CE1-CG1 3.89Å; Y967-I1026 HydrophobicContact CG-CG1 3.75Å; I1026-S1028 VanDerWaalsContact C-N 3.28Å; I1026-S1028 PolarHBondContact O-N 3.01Å
1027	A	79.8	Confident	89.3	Confident	99 Å²	99	63.3 Å²	63.3	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.2	175.3	0	0	0	0	0	114.1	S1025	S1025-A1027 PolarHBondContact O-N 2.65Å; S1025-A1027 PolarHBondContact OG-N 2.85Å
1028	S	85.1	Confident	89.3	Confident	56 Å²	56	67.1 Å²	67.1	39%	0.392	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-148.6	66.6	-179.2	56.1	0	0	0	0	111.1	S1024 S1025 I1026	S1024-S1028 WeakPolarHBondContact CA-O 3.48Å; S1024-S1028 WeakPolarHBondContact CB-O 3.22Å; S1025-S1028 PolarHBondContact N-O 2.87Å; S1025-S1028 PolarHBondContact N-OG 3.23Å; S1025-S1028 VanDerWaalsContact N-OG 3.11Å; S1025-S1028 CarbonylContact O-C 3.58Å; S1025-S1028 PolarHBondContact O-N 3.06Å; S1025-S1028 PolarHBondContact OG-N 3.47Å; S1025-S1028 VanDerWaalsContact OG-N 3.16Å; S1025-S1028 PolarHBondContact OG-OG 2.9Å; I1026-S1028 VanDerWaalsContact C-N 3.28Å; I1026-S1028 PolarHBondContact O-N 3.01Å
1029	P	85.1	Confident	89.4	Confident	35 Å²	35	70.4 Å²	70.4	23%	0.227	38%	0.377	C	S	.	.			trans	-64.1	153.2	-173	25.7	-35	0	0	0	112.5	L962 Y967 M970 S1025 T1031	L962-P1029 HydrophobicContact CD1-CG 4.44Å; Y967-P1029 HydrophobicContact CD2-CB 4.23Å; Y967-P1029 HydrophobicContact CE2-CB 4.39Å; M970-P1029 HydrophobicContact CE-CB 3.75Å; M970-P1029 HydrophobicContact CE-CG 3.96Å; M970-P1029 HydrophobicContact SD-CB 3.75Å; M970-P1029 HydrophobicContact SD-CG 4.12Å; S1025-P1029 WeakPolarHBondContact O-CA 3.39Å; S1025-P1029 VanDerWaalsContact O-N 3.14Å; P1029-T1031 PolarHBondContact O-N 3.34Å
1030	P	90.3	Very high	89.6	Confident	12 Å²	12	64.7 Å²	64.7	8%	0.078	35%	0.353	C	S	.	.			trans	-69.5	126.5	-176.6	31.2	-36.4	0	0	0	110.4	K971 F974 L1021	K971-P1030 HydrophobicContact CG-CG 4.47Å; F974-P1030 HydrophobicContact CB-CB 4.26Å; F974-P1030 HydrophobicContact CB-CG 4.07Å; F974-P1030 HydrophobicContact CD1-CB 3.82Å; F974-P1030 HydrophobicContact CD1-CG 4.26Å; F974-P1030 HydrophobicContact CD2-CB 3.89Å; F974-P1030 HydrophobicContact CE1-CB 4.06Å; F974-P1030 HydrophobicContact CE2-CB 4.12Å; F974-P1030 HydrophobicContact CG-CB 3.73Å; F974-P1030 HydrophobicContact CG-CG 4.08Å; F974-P1030 HydrophobicContact CZ-CB 4.2Å; L1021-P1030 HydrophobicContact CD2-CB 3.99Å; L1021-P1030 HydrophobicContact CD2-CG 3.79Å
1031	T	89.6	Confident	89.8	Confident	90 Å²	90	67.9 Å²	67.9	55%	0.552	36%	0.363	S	S	*	.			trans	-118.9	135	-178.4	52.9	0	0	0	0	111.6	P1029 S1033	P1029-T1031 PolarHBondContact O-N 3.34Å; T1031-S1033 PolarHBondContact O-N 3.33Å
1032	F	94.4	Very high	90.1	Very high	32 Å²	32	68.1 Å²	68.1	14%	0.14	37%	0.369	C	S	.	.			trans	-80.5	47.7	-178.9	-164.7	-114.2	0	0	0	113.4	F974 E977 V978 Y981 L1036 Q1037 I1040	F974-F1032 HydrophobicContact CD2-CB 4.26Å; F974-F1032 HydrophobicContact CE2-CB 4.49Å; F974-F1032 HydrophobicContact CE2-CD2 4.34Å; E977-F1032 HydrophobicContact CB-CB 4.26Å; E977-F1032 HydrophobicContact CB-CD1 4.06Å; E977-F1032 HydrophobicContact CB-CD2 4.38Å; E977-F1032 HydrophobicContact CB-CG 3.95Å; E977-F1032 WeakPolarHBondContact OE2-CB 3.35Å; V978-F1032 HydrophobicContact CB-CE2 4.21Å; V978-F1032 HydrophobicContact CG2-CD2 3.59Å; V978-F1032 HydrophobicContact CG2-CE2 3.61Å; Y981-F1032 VanDerWaalsContact CB-CZ 3.41Å; Y981-F1032 AromaticContact CD1-CZ 3.71Å; Y981-F1032 HydrophobicContact CD1-CZ 3.71Å; Y981-F1032 HydrophobicContact CD2-CE1 4.26Å; Y981-F1032 HydrophobicContact CD2-CZ 4.19Å; Y981-F1032 HydrophobicContact CE1-CZ 4.48Å; Y981-F1032 HydrophobicContact CG-CE1 4.03Å; Y981-F1032 AromaticContact CG-CZ 3.53Å; Y981-F1032 HydrophobicContact CG-CZ 3.53Å; F1032-L1036 HydrophobicContact CD2-CD2 3.97Å; F1032-L1036 HydrophobicContact CE2-CD2 4.34Å; F1032-Q1037 HydrophobicContact CD1-CG 4.08Å; F1032-Q1037 HydrophobicContact CE1-CG 3.45Å; F1032-Q1037 VanDerWaalsContact CE1-CG 3.45Å; F1032-Q1037 HydrophobicContact CE2-CG 4.16Å; F1032-Q1037 HydrophobicContact CZ-CG 3.47Å; F1032-Q1037 VanDerWaalsContact CZ-CG 3.47Å; F1032-Q1037 PolarHBondContact O-NE2 3.46Å; F1032-I1040 HydrophobicContact CE2-CD1 3.78Å; F1032-I1040 HydrophobicContact CZ-CD1 4.4Å
1033	S	91.4	Very high	90.4	Very high	54 Å²	54	61.4 Å²	61.4	38%	0.378	35%	0.346	S	S	.	.			trans	-59.9	154.3	-173.4	62.2	0	0	0	0	114	T1031 G1035 L1036 Q1037	T1031-S1033 PolarHBondContact O-N 3.33Å; S1033-G1035 PolarHBondContact O-N 3.33Å; S1033-G1035 VanDerWaalsContact O-N 3.17Å; S1033-L1036 WeakPolarHBondContact O-CA 3.46Å; S1033-L1036 WeakPolarHBondContact O-CB 3.44Å; S1033-L1036 PolarHBondContact O-N 2.88Å; S1033-L1036 PolarHBondContact OG-N 3.19Å; S1033-Q1037 PolarHBondContact O-N 2.91Å
1034	N	92.3	Very high	90.9	Very high	129 Å²	129	53.2 Å²	53.2	69%	0.69	32%	0.315	S	S	*	.	H	α-helix	trans	-55.3	-35.1	176.1	-64.8	-12.9	0	0	0	112.3	L1036 Q1037 E1038	N1034-L1036 VanDerWaalsContact C-N 3.32Å; N1034-L1036 PolarHBondContact O-N 2.92Å; N1034-Q1037 WeakPolarHBondContact O-CB 3.45Å; N1034-Q1037 PolarHBondContact O-N 3.43Å; N1034-E1038 PolarHBondContact O-N 2.95Å
1035	G	92.7	Very high	91.2	Very high	45 Å²	45	55.2 Å²	55.2	46%	0.464	33%	0.326	S	S	.	.	H	α-helix	trans	-69.5	-22.2	174.6	0	0	0	0	0	114.6	S1033 R1039	S1033-G1035 PolarHBondContact O-N 3.33Å; S1033-G1035 VanDerWaalsContact O-N 3.17Å; G1035-R1039 VanDerWaalsContact O-CG 3.29Å; G1035-R1039 WeakPolarHBondContact O-CG 3.35Å; G1035-R1039 PolarHBondContact O-NE 2.67Å
1036	L	93.1	Very high	91.6	Very high	3 Å²	3	61 Å²	61	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-79.9	-44.2	165.8	174.5	59.5	0	0	0	110.8	F974 V978 F1016 E1020 F1032 S1033 N1034 E1038 R1039 I1040	F974-L1036 HydrophobicContact CE2-CD2 3.5Å; F974-L1036 VanDerWaalsContact CE2-CD2 3.5Å; F974-L1036 HydrophobicContact CZ-CD2 3.56Å; V978-L1036 HydrophobicContact CG2-CD2 4.45Å; F1016-L1036 HydrophobicContact CD1-CD1 4.24Å; E1020-L1036 HydrophobicContact CG-CD1 4.01Å; E1020-L1036 HydrophobicContact CG-CD2 4.28Å; F1032-L1036 HydrophobicContact CD2-CD2 3.97Å; F1032-L1036 HydrophobicContact CE2-CD2 4.34Å; S1033-L1036 WeakPolarHBondContact O-CA 3.46Å; S1033-L1036 WeakPolarHBondContact O-CB 3.44Å; S1033-L1036 PolarHBondContact O-N 2.88Å; S1033-L1036 PolarHBondContact OG-N 3.19Å; N1034-L1036 VanDerWaalsContact C-N 3.32Å; N1034-L1036 PolarHBondContact O-N 2.92Å; L1036-E1038 VanDerWaalsContact C-N 3.27Å; L1036-E1038 PolarHBondContact O-N 3.18Å; L1036-R1039 PolarHBondContact O-N 3.38Å; L1036-R1039 VanDerWaalsContact O-N 3.13Å; L1036-I1040 HydrophobicContact CD1-CD1 3.89Å; L1036-I1040 HydrophobicContact CD1-CG1 3.97Å; L1036-I1040 HydrophobicContact CD2-CD1 4.4Å; L1036-I1040 HydrophobicContact CG-CD1 3.75Å; L1036-I1040 HydrophobicContact CG-CG1 4.29Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.3Å; L1036-I1040 PolarHBondContact O-N 3.01Å
1037	Q	95.6	Very high	92.1	Very high	44 Å²	44	60.1 Å²	60.1	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-38.9	178.2	-71.3	178	45.4	0	0	112.9	Y981 F1032 S1033 N1034 R1041	Y981-Q1037 HydrophobicContact CE1-CB 3.91Å; Y981-Q1037 HydrophobicContact CE1-CG 4.15Å; Y981-Q1037 WeakPolarHBondContact CE1-O 3.5Å; Y981-Q1037 HydrophobicContact CE2-CB 4.42Å; Y981-Q1037 HydrophobicContact CE2-CG 4.3Å; Y981-Q1037 PolarHBondContact OH-O 3.18Å; F1032-Q1037 HydrophobicContact CD1-CG 4.08Å; F1032-Q1037 HydrophobicContact CE1-CG 3.45Å; F1032-Q1037 VanDerWaalsContact CE1-CG 3.45Å; F1032-Q1037 HydrophobicContact CE2-CG 4.16Å; F1032-Q1037 HydrophobicContact CZ-CG 3.47Å; F1032-Q1037 VanDerWaalsContact CZ-CG 3.47Å; F1032-Q1037 PolarHBondContact O-NE2 3.46Å; S1033-Q1037 PolarHBondContact O-N 2.91Å; N1034-Q1037 WeakPolarHBondContact O-CB 3.45Å; N1034-Q1037 PolarHBondContact O-N 3.43Å; Q1037-R1041 WeakPolarHBondContact O-CB 3.47Å; Q1037-R1041 PolarHBondContact O-N 2.87Å
1038	E	94.5	Very high	92.8	Very high	92 Å²	92	55.4 Å²	55.4	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-73	-37.3	177.7	-158.8	59.7	-99.5	0	0	113	N1034 L1036 I1040 R1041 S1042	N1034-E1038 PolarHBondContact O-N 2.95Å; L1036-E1038 VanDerWaalsContact C-N 3.27Å; L1036-E1038 PolarHBondContact O-N 3.18Å; E1038-I1040 VanDerWaalsContact C-N 3.35Å; E1038-R1041 PolarHBondContact O-N 3.33Å; E1038-R1041 IonicContact OE1-CZ 3.78Å; E1038-R1041 IonicContact OE1-NH1 2.72Å; E1038-R1041 PolarHBondContact OE1-NH1 3Å; E1038-R1041 IonicContact OE2-CZ 3.92Å; E1038-R1041 IonicContact OE2-NH1 2.69Å; E1038-R1041 PolarHBondContact OE2-NH1 2.89Å; E1038-S1042 VanDerWaalsContact O-CB 3.27Å; E1038-S1042 WeakPolarHBondContact O-CB 3.2Å; E1038-S1042 PolarHBondContact O-N 3.01Å; E1038-S1042 PolarHBondContact O-OG 2.67Å
1039	R	94.3	Very high	92.9	Very high	110 Å²	110	56 Å²	56	42%	0.415	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-38.9	173.4	-71.6	-178.1	-63.6	131.2	-3.7	111.5	E1020 G1035 L1036 S1043	E1020-R1039 IonicContact OE1-CZ 2.67Å; E1020-R1039 IonicContact OE1-NH1 2.78Å; E1020-R1039 PolarHBondContact OE1-NH1 3.31Å; E1020-R1039 IonicContact OE1-NH2 3.18Å; E1020-R1039 PolarHBondContact OE1-NH2 3.5Å; G1035-R1039 VanDerWaalsContact O-CG 3.29Å; G1035-R1039 WeakPolarHBondContact O-CG 3.35Å; G1035-R1039 PolarHBondContact O-NE 2.67Å; L1036-R1039 PolarHBondContact O-N 3.38Å; L1036-R1039 VanDerWaalsContact O-N 3.13Å; R1039-S1043 VanDerWaalsContact O-CB 3.3Å; R1039-S1043 WeakPolarHBondContact O-CB 2.99Å; R1039-S1043 PolarHBondContact O-N 2.81Å; R1039-S1043 VanDerWaalsContact O-N 3.11Å
1040	I	96.4	Very high	93.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-55.5	171.9	-65.9	167.6	0	0	0	109.6	V978 Y981 I982 L985 F1016 F1032 L1036 E1038 S1042 S1043 V1044	V978-I1040 HydrophobicContact CG1-CD1 4.14Å; Y981-I1040 HydrophobicContact CD1-CB 4.4Å; Y981-I1040 HydrophobicContact CD1-CD1 4.48Å; Y981-I1040 HydrophobicContact CD1-CG2 3.99Å; Y981-I1040 HydrophobicContact CE1-CB 4.22Å; Y981-I1040 HydrophobicContact CE1-CG2 4.13Å; I982-I1040 HydrophobicContact CD1-CG2 4.16Å; I982-I1040 HydrophobicContact CG1-CG2 3.61Å; L985-I1040 HydrophobicContact CD1-CG2 3.82Å; F1016-I1040 HydrophobicContact CD1-CD1 4.49Å; F1016-I1040 HydrophobicContact CD1-CG1 3.66Å; F1016-I1040 HydrophobicContact CD2-CG1 3.97Å; F1016-I1040 HydrophobicContact CD2-CG2 4.46Å; F1016-I1040 HydrophobicContact CE1-CG1 3.79Å; F1016-I1040 HydrophobicContact CE2-CB 4.39Å; F1016-I1040 HydrophobicContact CE2-CG1 4.08Å; F1016-I1040 HydrophobicContact CE2-CG2 4.34Å; F1016-I1040 HydrophobicContact CG-CD1 4.4Å; F1016-I1040 HydrophobicContact CG-CG1 3.76Å; F1016-I1040 HydrophobicContact CZ-CB 4.37Å; F1016-I1040 HydrophobicContact CZ-CG1 4.01Å; F1032-I1040 HydrophobicContact CE2-CD1 3.78Å; F1032-I1040 HydrophobicContact CZ-CD1 4.4Å; L1036-I1040 HydrophobicContact CD1-CD1 3.89Å; L1036-I1040 HydrophobicContact CD1-CG1 3.97Å; L1036-I1040 HydrophobicContact CD2-CD1 4.4Å; L1036-I1040 HydrophobicContact CG-CD1 3.75Å; L1036-I1040 HydrophobicContact CG-CG1 4.29Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.3Å; L1036-I1040 PolarHBondContact O-N 3.01Å; E1038-I1040 VanDerWaalsContact C-N 3.35Å; I1040-S1042 PolarHBondContact O-N 3.23Å; I1040-S1043 PolarHBondContact O-N 3.42Å; I1040-S1043 VanDerWaalsContact O-N 3.11Å; I1040-V1044 HydrophobicContact CG2-CG2 3.85Å; I1040-V1044 WeakPolarHBondContact O-CB 3.48Å; I1040-V1044 VanDerWaalsContact O-CG2 3.26Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.41Å; I1040-V1044 PolarHBondContact O-N 3.45Å
1041	R	96.2	Very high	93.1	Very high	93 Å²	93	61.3 Å²	61.3	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-52.5	-54	-179.6	-173.5	-174.4	-65.7	110.5	-10.8	111.5	Y981 L985 Q1037 E1038 S1043 V1044 T1045	Y981-R1041 VanDerWaalsContact OH-CZ 3.24Å; Y981-R1041 PolarHBondContact OH-NH2 3.33Å; L985-R1041 HydrophobicContact CD1-CB 4.17Å; L985-R1041 HydrophobicContact CD2-CB 4.32Å; L985-R1041 HydrophobicContact CD2-CG 3.94Å; Q1037-R1041 WeakPolarHBondContact O-CB 3.47Å; Q1037-R1041 PolarHBondContact O-N 2.87Å; E1038-R1041 PolarHBondContact O-N 3.33Å; E1038-R1041 IonicContact OE1-CZ 3.78Å; E1038-R1041 IonicContact OE1-NH1 2.72Å; E1038-R1041 PolarHBondContact OE1-NH1 3Å; E1038-R1041 IonicContact OE2-CZ 3.92Å; E1038-R1041 IonicContact OE2-NH1 2.69Å; E1038-R1041 PolarHBondContact OE2-NH1 2.89Å; R1041-S1043 VanDerWaalsContact C-N 3.29Å; R1041-S1043 PolarHBondContact O-N 3.26Å; R1041-V1044 PolarHBondContact O-N 2.94Å; R1041-T1045 PolarHBondContact O-N 2.91Å; R1041-T1045 PolarHBondContact O-OG1 3.43Å
1042	S	95	Very high	92.9	Very high	56 Å²	56	58.6 Å²	58.6	39%	0.392	31%	0.313	S	S	.	.	H	α-helix	trans	-56.8	-40.2	179.3	-62.8	0	0	0	0	113.1	E1038 I1040 R1046	E1038-S1042 VanDerWaalsContact O-CB 3.27Å; E1038-S1042 WeakPolarHBondContact O-CB 3.2Å; E1038-S1042 PolarHBondContact O-N 3.01Å; E1038-S1042 PolarHBondContact O-OG 2.67Å; I1040-S1042 PolarHBondContact O-N 3.23Å; S1042-R1046 WeakPolarHBondContact O-CB 3.21Å; S1042-R1046 PolarHBondContact O-N 3.02Å; S1042-R1046 VanDerWaalsContact O-N 3.14Å
1043	S	94.3	Very high	92.5	Very high	43 Å²	43	61.5 Å²	61.5	30%	0.301	34%	0.335	S	S	.	.	H	α-helix	trans	-80.6	-33.2	-179.4	-166.6	0	0	0	0	113.5	R1039 I1040 R1041 Y1047	R1039-S1043 VanDerWaalsContact O-CB 3.3Å; R1039-S1043 WeakPolarHBondContact O-CB 2.99Å; R1039-S1043 PolarHBondContact O-N 2.81Å; R1039-S1043 VanDerWaalsContact O-N 3.11Å; I1040-S1043 PolarHBondContact O-N 3.42Å; I1040-S1043 VanDerWaalsContact O-N 3.11Å; R1041-S1043 VanDerWaalsContact C-N 3.29Å; R1041-S1043 PolarHBondContact O-N 3.26Å; S1043-Y1047 WeakPolarHBondContact O-CB 3.37Å; S1043-Y1047 PolarHBondContact O-N 2.98Å
1044	V	94.6	Very high	92.3	Very high	1 Å²	1	61 Å²	61	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-51.5	173	171.5	0	0	0	0	108.4	L985 L986 L1012 I1040 R1041 R1046 Y1047 M1048	L985-V1044 HydrophobicContact CB-CG1 4.17Å; L985-V1044 HydrophobicContact CD1-CB 4.4Å; L985-V1044 HydrophobicContact CD1-CG2 4.14Å; L986-V1044 HydrophobicContact CD2-CG1 3.84Å; L986-V1044 HydrophobicContact CG-CG1 4.41Å; L1012-V1044 HydrophobicContact CD1-CG2 4.18Å; I1040-V1044 HydrophobicContact CG2-CG2 3.85Å; I1040-V1044 WeakPolarHBondContact O-CB 3.48Å; I1040-V1044 VanDerWaalsContact O-CG2 3.26Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.41Å; I1040-V1044 PolarHBondContact O-N 3.45Å; R1041-V1044 PolarHBondContact O-N 2.94Å; V1044-R1046 PolarHBondContact O-N 2.63Å; V1044-Y1047 PolarHBondContact O-N 2.69Å; V1044-Y1047 VanDerWaalsContact O-N 3.13Å; V1044-M1048 HydrophobicContact CG1-CG 4.37Å; V1044-M1048 WeakPolarHBondContact O-CG 3.47Å; V1044-M1048 PolarHBondContact O-N 3.17Å
1045	T	93.1	Very high	92.3	Very high	62 Å²	62	55.3 Å²	55.3	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-56	-51.4	177.4	-60.2	0	0	0	0	111.4	R1041 Y1047 M1048 T1049	R1041-T1045 PolarHBondContact O-N 2.91Å; R1041-T1045 PolarHBondContact O-OG1 3.43Å; T1045-Y1047 VanDerWaalsContact C-N 3.31Å; T1045-Y1047 PolarHBondContact O-N 3.17Å; T1045-M1048 PolarHBondContact O-N 3.14Å; T1045-T1049 HydrophobicContact CG2-CG2 4.28Å; T1045-T1049 WeakPolarHBondContact O-CG2 3.35Å; T1045-T1049 PolarHBondContact O-N 2.86Å; T1045-T1049 PolarHBondContact O-OG1 3.23Å
1046	R	93.2	Very high	91.9	Very high	166 Å²	166	63 Å²	63	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-36.3	177.7	-167.7	-174.6	-62.1	120.8	-0.5	113.3	S1042 V1044 T1049 S1050	S1042-R1046 WeakPolarHBondContact O-CB 3.21Å; S1042-R1046 PolarHBondContact O-N 3.02Å; S1042-R1046 VanDerWaalsContact O-N 3.14Å; V1044-R1046 PolarHBondContact O-N 2.63Å; R1046-T1049 PolarHBondContact O-OG1 2.89Å; R1046-S1050 WeakPolarHBondContact O-CB 3.21Å; R1046-S1050 PolarHBondContact O-N 3.48Å; R1046-S1050 PolarHBondContact O-OG 2.89Å
1047	Y	93.5	Very high	91.5	Very high	41 Å²	41	67.1 Å²	67.1	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-69.7	-36.4	176.9	-178.3	-93.6	0	0	0	112.4	I1008 L1012 S1043 V1044 T1045 S1050 R1051 Y1055	I1008-Y1047 HydrophobicContact CG2-CE1 4.28Å; L1012-Y1047 HydrophobicContact CD1-CD1 4.13Å; L1012-Y1047 HydrophobicContact CD2-CD1 4.16Å; L1012-Y1047 HydrophobicContact CD2-CD2 4.42Å; L1012-Y1047 HydrophobicContact CD2-CE1 4.41Å; L1012-Y1047 HydrophobicContact CD2-CG 4.16Å; S1043-Y1047 WeakPolarHBondContact O-CB 3.37Å; S1043-Y1047 PolarHBondContact O-N 2.98Å; V1044-Y1047 PolarHBondContact O-N 2.69Å; V1044-Y1047 VanDerWaalsContact O-N 3.13Å; T1045-Y1047 VanDerWaalsContact C-N 3.31Å; T1045-Y1047 PolarHBondContact O-N 3.17Å; Y1047-S1050 PolarHBondContact O-OG 3.02Å; Y1047-R1051 WeakPolarHBondContact O-CG 3.36Å; Y1047-Y1055 HydrophobicContact CE1-CE2 4.03Å
1048	M	93.7	Very high	90.6	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-77.8	-43.3	178.3	-62.4	-47.4	-59.3	0	0	112	L986 Y989 G997 I999 I1008 V1044 T1045 S1050 R1051 Y1055	L986-M1048 HydrophobicContact CD2-CG 4.07Å; L986-M1048 HydrophobicContact CD2-SD 3.85Å; Y989-M1048 HydrophobicContact CD1-CB 3.74Å; Y989-M1048 HydrophobicContact CD1-CE 4.46Å; Y989-M1048 HydrophobicContact CD1-CG 4.06Å; Y989-M1048 HydrophobicContact CD2-CG 4.19Å; Y989-M1048 HydrophobicContact CE1-CB 3.38Å; Y989-M1048 HydrophobicContact CE1-CG 3.97Å; Y989-M1048 HydrophobicContact CE2-CB 4.33Å; Y989-M1048 HydrophobicContact CE2-CG 4.08Å; Y989-M1048 HydrophobicContact CG-CB 4.37Å; Y989-M1048 HydrophobicContact CG-CE 4.49Å; Y989-M1048 HydrophobicContact CG-CG 4.19Å; G997-M1048 VanDerWaalsContact CA-O 3.29Å; G997-M1048 WeakPolarHBondContact CA-O 3.46Å; G997-M1048 WeakPolarHBondContact O-CE 3.49Å; I999-M1048 HydrophobicContact CD1-CE 3.67Å; I999-M1048 HydrophobicContact CG1-CE 3.6Å; I1008-M1048 HydrophobicContact CD1-CE 4.21Å; I1008-M1048 HydrophobicContact CG2-SD 4.1Å; V1044-M1048 HydrophobicContact CG1-CG 4.37Å; V1044-M1048 WeakPolarHBondContact O-CG 3.47Å; V1044-M1048 PolarHBondContact O-N 3.17Å; T1045-M1048 PolarHBondContact O-N 3.14Å; M1048-S1050 VanDerWaalsContact C-N 3.26Å; M1048-S1050 PolarHBondContact O-N 3.22Å; M1048-R1051 WeakPolarHBondContact O-CB 3.15Å; M1048-R1051 PolarHBondContact O-N 2.92Å; M1048-R1051 VanDerWaalsContact O-N 3.15Å; M1048-Y1055 HydrophobicContact CE-CD2 4.12Å
1049	T	88.7	Confident	89.1	Confident	67 Å²	67	74.9 Å²	74.9	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-30	177.6	58.6	0	0	0	0	112.5	T1045 R1046 R1051	T1045-T1049 HydrophobicContact CG2-CG2 4.28Å; T1045-T1049 WeakPolarHBondContact O-CG2 3.35Å; T1045-T1049 PolarHBondContact O-N 2.86Å; T1045-T1049 PolarHBondContact O-OG1 3.23Å; R1046-T1049 PolarHBondContact O-OG1 2.89Å; T1049-R1051 PolarHBondContact O-N 3.36Å
1050	S	90	Very high	86.9	Confident	84 Å²	84	78.7 Å²	78.7	59%	0.587	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	9.9	175.9	60.6	0	0	0	0	115.1	R1046 Y1047 M1048	R1046-S1050 WeakPolarHBondContact O-CB 3.21Å; R1046-S1050 PolarHBondContact O-N 3.48Å; R1046-S1050 PolarHBondContact O-OG 2.89Å; Y1047-S1050 PolarHBondContact O-OG 3.02Å; M1048-S1050 VanDerWaalsContact C-N 3.26Å; M1048-S1050 PolarHBondContact O-N 3.22Å
1051	R	88.2	Confident	84.4	Confident	76 Å²	76	85.6 Å²	85.6	29%	0.287	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	1.4	-179.2	-66.5	-81.3	160.5	-168.6	-13.5	114.5	Y1047 M1048 T1049 Y1055	Y1047-R1051 WeakPolarHBondContact O-CG 3.36Å; M1048-R1051 WeakPolarHBondContact O-CB 3.15Å; M1048-R1051 PolarHBondContact O-N 2.92Å; M1048-R1051 VanDerWaalsContact O-N 3.15Å; T1049-R1051 PolarHBondContact O-N 3.36Å; R1051-Y1055 HydrophobicContact CB-CD2 4.11Å; R1051-Y1055 HydrophobicContact CG-CD2 3.71Å; R1051-Y1055 HydrophobicContact CG-CE2 4.11Å
1052	G	85.2	Confident	81.8	Confident	33 Å²	33	87.9 Å²	87.9	34%	0.34	45%	0.445	S	S	.	.			trans	81.9	-165.6	-171.1	0	0	0	0	0	111.8	G997	G997-G1052 PolarHBondContact N-O 2.88Å
1053	P	86.6	Confident	78.8	Confident	93 Å²	93	91.3 Å²	91.3	60%	0.604	46%	0.459	S	S	*	.	S	Bend	trans	-65.9	-43.2	-176.4	24.5	-32.7	0	0	0	112.8	G997 R998	G997-P1053 PolarHBondContact N-O 2.94Å; R998-P1053 PolarHBondContact N-O 2.77Å
1054	V	87.9	Confident	76.3	Confident	43 Å²	43	94.8 Å²	94.8	26%	0.261	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-120.6	133.8	178.7	-175.4	0	0	0	0	108.6	D1000	D1000-V1054 WeakPolarHBondContact OD2-CG1 3.48Å
1055	Y	91.6	Very high	73.4	Confident	9 Å²	9	109.4 Å²	109.4	4%	0.035	54%	0.535	C	S	.	.			trans	-63.4	134.4	174.6	-179.8	-84	0	0	0	110.5	R998 D1004 I1008 Y1047 M1048 R1051 R1057	R998-Y1055 PolarHBondContact O-N 2.78Å; D1004-Y1055 HydrophobicContact CB-CD1 4.03Å; D1004-Y1055 HydrophobicContact CB-CE1 4.02Å; D1004-Y1055 VanDerWaalsContact CG-CE1 3.45Å; D1004-Y1055 VanDerWaalsContact OD2-CD1 3.26Å; D1004-Y1055 WeakPolarHBondContact OD2-CD1 3.36Å; D1004-Y1055 VanDerWaalsContact OD2-CE1 3.25Å; D1004-Y1055 WeakPolarHBondContact OD2-CE1 3.02Å; I1008-Y1055 HydrophobicContact CD1-CD1 3.79Å; I1008-Y1055 HydrophobicContact CD1-CD2 3.6Å; I1008-Y1055 HydrophobicContact CD1-CE1 3.78Å; I1008-Y1055 HydrophobicContact CD1-CE2 3.61Å; I1008-Y1055 HydrophobicContact CD1-CG 3.71Å; I1008-Y1055 HydrophobicContact CG1-CD1 4.49Å; I1008-Y1055 HydrophobicContact CG1-CD2 4.21Å; I1008-Y1055 HydrophobicContact CG1-CE1 3.98Å; I1008-Y1055 HydrophobicContact CG1-CE2 3.67Å; Y1047-Y1055 HydrophobicContact CE1-CE2 4.03Å; M1048-Y1055 HydrophobicContact CE-CD2 4.12Å; R1051-Y1055 HydrophobicContact CB-CD2 4.11Å; R1051-Y1055 HydrophobicContact CG-CD2 3.71Å; R1051-Y1055 HydrophobicContact CG-CE2 4.11Å; Y1055-R1057 HydrophobicContact CE1-CB 4.24Å; Y1055-R1057 VanDerWaalsContact CE1-N 3.3Å
1056	R	84.9	Confident	72.4	Confident	206 Å²	206	111.8 Å²	111.8	78%	0.777	54%	0.543	S	S	*	.			trans	-127.2	134.2	161.5	-64.8	-169.8	179.7	-145	0.4	109.9	K1058	R1056-K1058 PolarHBondContact O-N 2.71Å
1057	R	83.7	Confident	71.3	Confident	90 Å²	90	108.9 Å²	108.9	34%	0.34	54%	0.539	S	S	.	.			trans	-58.4	134	168	-158.5	-179.9	-61.4	173.8	11.7	108.7	E1003 D1004 Y1055 T1059	E1003-R1057 IonicContact OE2-NH1 2.76Å; E1003-R1057 IonicContact OE2-NH2 2.85Å; E1003-R1057 PolarHBondContact OE2-NH2 3.12Å; D1004-R1057 IonicContact OD1-CZ 3.06Å; D1004-R1057 IonicContact OD1-NE 2.66Å; D1004-R1057 PolarHBondContact OD1-NE 3.36Å; D1004-R1057 IonicContact OD1-NH2 3.18Å; D1004-R1057 PolarHBondContact OD1-NH2 2.79Å; D1004-R1057 PolarHBondContact OD2-N 2.73Å; Y1055-R1057 HydrophobicContact CE1-CB 4.24Å; Y1055-R1057 VanDerWaalsContact CE1-N 3.3Å; R1057-T1059 PolarHBondContact O-N 3.18Å; R1057-T1059 VanDerWaalsContact O-N 3.16Å
1058	K	76.9	Confident	70.1	Confident	184 Å²	184	112.7 Å²	112.7	80%	0.8	56%	0.56	S	S	*	*			trans	-74.7	101.7	164.7	-78.2	-162.7	173.1	-164.8	0	107.4	R1056	R1056-K1058 PolarHBondContact O-N 2.71Å
1059	T	62.8	Low	68.7	Low	115 Å²	115	119.3 Å²	119.3	71%	0.706	59%	0.593	S	S	*	*			trans	-59.4	145.2	160.9	40.7	0	0	0	0	109.1	R1057 I1061	R1057-T1059 PolarHBondContact O-N 3.18Å; R1057-T1059 VanDerWaalsContact O-N 3.16Å; T1059-I1061 PolarHBondContact O-N 3.22Å
1060	K	49.6	Very low	67.4	Low	190 Å²	190	122.6 Å²	122.6	83%	0.826	60%	0.604	S	S	*	*			trans	-72.9	119.7	157.3	-77.1	-175.5	175.1	-175.9	0	105.8	N1062	K1060-N1062 PolarHBondContact O-N 3.47Å
1061	I	43.2	Very low	65.9	Low	146 Å²	146	125.1 Å²	125.1	75%	0.749	61%	0.605	S	S	*	*			trans	-74.4	107.6	160.7	-61.7	174	0	0	0	104.7	T1059 N1063	T1059-I1061 PolarHBondContact O-N 3.22Å; I1061-N1063 PolarHBondContact O-N 3.21Å; I1061-N1063 VanDerWaalsContact O-N 3.12Å
1062	N	41.6	Very low	64.3	Low	141 Å²	141	128.6 Å²	128.6	75%	0.754	63%	0.628	S	S	*	*			trans	-65.2	109.8	163.3	-77.1	-3.1	0	0	0	105.9	K1060 P1064	K1060-N1062 PolarHBondContact O-N 3.47Å; N1062-P1064 WeakPolarHBondContact O-CD 3.33Å
1063	N	32.6	Very low	62.7	Low	127 Å²	127	136 Å²	136	68%	0.679	65%	0.65	S	S	*	*			trans	-77.7	114.6	177.9	-171.3	50.5	0	0	0	107.3	I1061 R1065	I1061-N1063 PolarHBondContact O-N 3.21Å; I1061-N1063 VanDerWaalsContact O-N 3.12Å; N1063-R1065 PolarHBondContact O-N 3.21Å
1064	P	41.3	Very low	60.8	Low	117 Å²	117	139.6 Å²	139.6	76%	0.76	65%	0.654	S	S	*	*			trans	-65	127.9	-176.9	26.8	-33.7	0	0	0	110	N1062	N1062-P1064 WeakPolarHBondContact O-CD 3.33Å
1065	R	32.9	Very low	58.3	Low	307 Å²	307	148.4 Å²	148.4	100%	1.158	69%	0.689	S	S	*	*			trans	-155.5	0	175.6	-112.2	-166.7	178.4	-156.7	-1.5	109.3	N1063	N1063-R1065 PolarHBondContact O-N 3.21Å

Retrieved 1,065 of 1,065 residues in 1145.4 ms (Link to these results)

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