A0A077Z4R4_TRITR Loading...

Cuticle collagen 6 protein

AlphaFold DB , UniProt , Accession A0A077Z4R4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)

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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	28.5	Very low	27.9	Very low	232 Å²	232	138.5 Å²	138.5	100%	1.143	75%	0.747	S	S	*	*				0	99.1	0	-125.7	169.6	73.5	0	0	105.8	E3	M1-E3 PolarHBondContact O-N 2.87Å; M1-E3 VanDerWaalsContact O-N 3.08Å
2	S	26.1	Very low	28	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	74%	0.743	S	S	*	*			trans	-65.8	111.4	174.2	58.3	0	0	0	0	106.7	Q4	S2-Q4 VanDerWaalsContact C-N 3.33Å; S2-Q4 PolarHBondContact O-N 3.43Å
3	E	25.5	Very low	28.4	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	75%	0.749	S	S	*	*			trans	-57.3	100.2	170.8	-72.1	-178.1	156.8	0	0	107.5	M1 L5	M1-E3 PolarHBondContact O-N 2.87Å; M1-E3 VanDerWaalsContact O-N 3.08Å; E3-L5 PolarHBondContact O-N 2.89Å
4	Q	26.7	Very low	28.8	Very low	132 Å²	132	129.2 Å²	129.2	62%	0.617	72%	0.723	S	S	*	*			trans	-65.2	92.7	170.4	-77.1	-177.2	-23	0	0	106.7	S2 L6 F41	S2-Q4 VanDerWaalsContact C-N 3.33Å; S2-Q4 PolarHBondContact O-N 3.43Å; Q4-L6 PolarHBondContact O-N 2.64Å; Q4-F41 VanDerWaalsContact NE2-CE2 3.26Å
5	L	29.2	Very low	29.6	Very low	111 Å²	111	128.1 Å²	128.1	58%	0.581	73%	0.727	S	S	*	*			trans	-58	107.3	177.7	-78.2	150.8	0	0	0	108.6	E3 G7 K24	E3-L5 PolarHBondContact O-N 2.89Å; L5-G7 PolarHBondContact O-N 2.86Å; L5-G7 VanDerWaalsContact O-N 3.09Å; L5-K24 HydrophobicContact CD1-CB 4.41Å; L5-K24 HydrophobicContact CD1-CD 4.02Å; L5-K24 HydrophobicContact CD2-CD 4.04Å
6	L	26.1	Very low	30.1	Very low	177 Å²	177	123.2 Å²	123.2	93%	0.927	70%	0.698	S	S	*	*			trans	-50.5	110.2	179.4	-75.2	147.5	0	0	0	110.5	Q4	Q4-L6 PolarHBondContact O-N 2.64Å
7	G	27.8	Very low	30.7	Very low	60 Å²	60	122.2 Å²	122.2	62%	0.619	70%	0.695	S	S	*	*			trans	-60.7	148.7	171	0	0	0	0	0	111.6	L5 R9	L5-G7 PolarHBondContact O-N 2.86Å; L5-G7 VanDerWaalsContact O-N 3.09Å; G7-R9 PolarHBondContact O-N 2.92Å
8	V	27.7	Very low	31.1	Very low	135 Å²	135	121.2 Å²	121.2	82%	0.818	68%	0.679	S	S	*	*			trans	-66.6	123.9	178.9	178.9	0	0	0	0	109.5	V10	V8-V10 PolarHBondContact O-N 2.81Å
9	R	31	Very low	31.5	Very low	150 Å²	150	119.7 Å²	119.7	57%	0.566	68%	0.676	S	S	*	*			trans	-72.7	91.5	178.3	-156.2	-174.8	-159.2	-162.8	5.3	109.3	G7 L11	G7-R9 PolarHBondContact O-N 2.92Å; R9-L11 HydrophobicContact CG-CG 4.49Å; R9-L11 PolarHBondContact O-N 2.79Å
10	V	28.2	Very low	31.8	Very low	116 Å²	116	119 Å²	119	70%	0.703	68%	0.675	S	S	*	*			trans	-79.9	97	167.9	-174.7	0	0	0	0	107.5	V8 D12	V8-V10 PolarHBondContact O-N 2.81Å; V10-D12 VanDerWaalsContact C-N 3.26Å; V10-D12 PolarHBondContact O-N 2.91Å
11	L	30.2	Very low	32.2	Very low	136 Å²	136	122.2 Å²	122.2	71%	0.712	68%	0.678	S	S	*	*			trans	-72.7	82.6	168.2	-79.3	154.5	0	0	0	108	R9 S13	R9-L11 HydrophobicContact CG-CG 4.49Å; R9-L11 PolarHBondContact O-N 2.79Å; L11-S13 PolarHBondContact O-N 2.95Å
12	D	29.2	Very low	32.9	Very low	131 Å²	131	114 Å²	114	70%	0.701	64%	0.642	S	S	*	*			trans	-72.9	126.2	162.8	-160	-1.7	0	0	0	108.3	V10 G14	V10-D12 VanDerWaalsContact C-N 3.26Å; V10-D12 PolarHBondContact O-N 2.91Å; D12-G14 PolarHBondContact O-N 3.39Å
13	S	32.6	Very low	33.6	Very low	117 Å²	117	115 Å²	115	82%	0.818	64%	0.635	S	S	*	*	S	Bend	trans	-73.6	31.5	-166.6	58.2	0	0	0	0	114.2	L11	L11-S13 PolarHBondContact O-N 2.95Å
14	G	34	Very low	34.3	Very low	37 Å²	37	115 Å²	115	38%	0.381	63%	0.632	S	S	.	*	S	Bend	trans	-147.5	72.4	-170.1	0	0	0	0	0	113.8	D12 D16	D12-G14 PolarHBondContact O-N 3.39Å; G14-D16 PolarHBondContact O-N 3.38Å
15	S	41	Very low	35.5	Very low	112 Å²	112	112.4 Å²	112.4	78%	0.783	64%	0.642	S	S	*	*	S	Bend	trans	56.2	-13	154.6	46.7	0	0	0	0	120.6
16	D	37.7	Very low	36.2	Very low	50 Å²	50	109 Å²	109	27%	0.267	63%	0.627	S	S	.	*			trans	-110.7	93.2	178.8	-74	-16.9	0	0	0	109.1	G14 Y18	G14-D16 PolarHBondContact O-N 3.38Å; D16-Y18 VanDerWaalsContact C-N 3.34Å; D16-Y18 HydrophobicContact CB-CD2 3.83Å; D16-Y18 HydrophobicContact CB-CE2 3.22Å; D16-Y18 PolarHBondContact O-N 2.77Å; D16-Y18 PolarHBondContact OD2-OH 2.85Å
17	V	41	Very low	37.2	Very low	107 Å²	107	104.1 Å²	104.1	65%	0.648	61%	0.613	S	S	*	*			trans	-72.3	92.6	171.1	-175.9	0	0	0	0	107.5
18	Y	37.3	Very low	38.1	Very low	103 Å²	103	108.6 Å²	108.6	40%	0.404	62%	0.622	S	S	.	*			trans	-91.3	118.8	164.5	-59.1	-72.4	0	0	0	107.9	D16 T20	D16-Y18 VanDerWaalsContact C-N 3.34Å; D16-Y18 HydrophobicContact CB-CD2 3.83Å; D16-Y18 HydrophobicContact CB-CE2 3.22Å; D16-Y18 PolarHBondContact O-N 2.77Å; D16-Y18 PolarHBondContact OD2-OH 2.85Å; Y18-T20 PolarHBondContact O-N 3.23Å
19	C	38.7	Very low	38.9	Very low	93 Å²	93	107.4 Å²	107.4	63%	0.628	61%	0.61	S	S	*	*			trans	-82.6	95.6	162.7	-71.9	0	0	0	0	107.4	Y21	C19-Y21 PolarHBondContact O-N 3.03Å
20	T	37.5	Very low	39.5	Very low	106 Å²	106	102.4 Å²	102.4	65%	0.65	60%	0.598	S	S	*	*			trans	-71.4	111.5	162.8	32.1	0	0	0	0	108.3	Y18 C22	Y18-T20 PolarHBondContact O-N 3.23Å; T20-C22 PolarHBondContact O-N 3.43Å
21	Y	40.8	Very low	40.6	Very low	186 Å²	186	102 Å²	102	73%	0.729	60%	0.596	S	S	*	*			trans	-77.1	114.5	169.8	179.2	-93.6	0	0	0	108.3	C19 E23	C19-Y21 PolarHBondContact O-N 3.03Å; Y21-E23 HydrophobicContact CE1-CB 4.14Å
22	C	41.8	Very low	41.2	Very low	59 Å²	59	102.5 Å²	102.5	40%	0.399	59%	0.594	S	S	.	*			trans	-114.7	116.8	168.3	-73.5	0	0	0	0	108.9	T20 C30	T20-C22 PolarHBondContact O-N 3.43Å; C22-C30 WeakPolarHBondContact CA-SG 3.41Å; C22-C30 WeakPolarHBondContact CB-SG 3.48Å; C22-C30 WeakPolarHBondContact SG-CB 3.29Å; C22-C30 CovalentContact SG-SG 2.04Å; C22-C30 PolarHBondContact SG-SG 3.06Å
23	E	41.6	Very low	41.8	Very low	127 Å²	127	100.2 Å²	100.2	59%	0.593	59%	0.588	S	S	*	*			trans	-66.7	139	171.4	-157.6	168.6	-164.5	0	0	109.4	Y21 G25 S26	Y21-E23 HydrophobicContact CE1-CB 4.14Å; E23-G25 PolarHBondContact O-N 3.32Å; E23-G25 VanDerWaalsContact O-N 3.1Å; E23-S26 PolarHBondContact O-N 3.2Å; E23-S26 VanDerWaalsContact O-N 3.1Å
24	K	40.2	Very low	42.8	Very low	169 Å²	169	99.3 Å²	99.3	74%	0.735	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	112.6	-171.5	-147.9	-178.4	-171.3	-176.9	0	109.2	L5	L5-K24 HydrophobicContact CD1-CB 4.41Å; L5-K24 HydrophobicContact CD1-CD 4.02Å; L5-K24 HydrophobicContact CD2-CD 4.04Å
25	G	51.1	Low	43.6	Very low	79 Å²	79	102.8 Å²	102.8	81%	0.814	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.4	-14.2	-175.2	0	0	0	0	0	114.1	E23	E23-G25 PolarHBondContact O-N 3.32Å; E23-G25 VanDerWaalsContact O-N 3.1Å
26	S	44	Very low	44.3	Very low	39 Å²	39	103.3 Å²	103.3	27%	0.273	57%	0.573	S	S	.	*			trans	-111	22.9	-174.2	-38	0	0	0	0	113.2	E23 N28 I29 C30	E23-S26 PolarHBondContact O-N 3.2Å; E23-S26 VanDerWaalsContact O-N 3.1Å; S26-N28 PolarHBondContact O-N 3.32Å; S26-N28 VanDerWaalsContact O-N 3.1Å; S26-I29 PolarHBondContact O-N 2.84Å; S26-C30 PolarHBondContact O-N 2.95Å
27	A	47.8	Very low	45.3	Very low	75 Å²	75	109.6 Å²	109.6	62%	0.62	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-32.3	-174.7	0	0	0	0	0	113.1
28	N	47.6	Very low	46.5	Very low	153 Å²	153	109 Å²	109	82%	0.818	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-13.4	178.8	-66.5	-1.3	0	0	0	113.9	S26	S26-N28 PolarHBondContact O-N 3.32Å; S26-N28 VanDerWaalsContact O-N 3.1Å
29	I	44.2	Very low	48.1	Very low	111 Å²	111	106.2 Å²	106.2	57%	0.569	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-12.7	-177.3	-52.5	172.4	0	0	0	111.1	S26 T31 E32	S26-I29 PolarHBondContact O-N 2.84Å; I29-T31 PolarHBondContact O-N 2.95Å; I29-E32 PolarHBondContact O-N 2.8Å
30	C	43.8	Very low	49.6	Very low	45 Å²	45	108.3 Å²	108.3	30%	0.304	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-3.8	178.3	-82.7	0	0	0	0	114.8	C22 S26	C22-C30 WeakPolarHBondContact CA-SG 3.41Å; C22-C30 WeakPolarHBondContact CB-SG 3.48Å; C22-C30 WeakPolarHBondContact SG-CB 3.29Å; C22-C30 CovalentContact SG-SG 2.04Å; C22-C30 PolarHBondContact SG-SG 3.06Å; S26-C30 PolarHBondContact O-N 2.95Å
31	T	49.7	Very low	51.3	Low	108 Å²	108	111.5 Å²	111.5	66%	0.663	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-23.4	174	45.8	0	0	0	0	113.4	I29	I29-T31 PolarHBondContact O-N 2.95Å
32	E	43.8	Very low	52.9	Low	145 Å²	145	104.2 Å²	104.2	68%	0.678	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-28.3	-167.6	-72.7	-176.6	168.9	0	0	115.1	I29 L34	I29-E32 PolarHBondContact O-N 2.8Å; E32-L34 PolarHBondContact O-N 3.02Å
33	S	42.1	Very low	54.7	Low	83 Å²	83	104.4 Å²	104.4	58%	0.58	57%	0.574	S	S	*	*			trans	-97.8	70.9	-178.4	64.1	0	0	0	0	112.5	T35	S33-T35 PolarHBondContact O-N 2.65Å
34	L	53.3	Low	56.4	Low	99 Å²	99	105 Å²	105	52%	0.518	59%	0.586	S	S	.	*			trans	-70.6	26.4	174.1	-116.7	142.2	0	0	0	113.9	E32 R36 E459	E32-L34 PolarHBondContact O-N 3.02Å; L34-R36 PolarHBondContact O-N 3.08Å; L34-E459 HydrophobicContact CD1-CG 3.95Å; L34-E459 VanDerWaalsContact CD2-OE1 3.23Å; L34-E459 WeakPolarHBondContact CD2-OE1 3Å
35	T	49.7	Very low	58.4	Low	110 Å²	110	99.5 Å²	99.5	68%	0.675	56%	0.561	S	S	*	*			trans	-69.5	97.7	171.3	34.3	0	0	0	0	109.8	S33 K37	S33-T35 PolarHBondContact O-N 2.65Å; T35-K37 PolarHBondContact O-N 2.79Å; T35-K37 VanDerWaalsContact O-N 3.14Å
36	R	55.9	Low	59.8	Low	123 Å²	123	100.4 Å²	100.4	46%	0.464	55%	0.547	S	S	.	.			trans	-60.1	113.7	172.1	-61.5	178.5	-158.2	-170.6	3.2	109	L34	L34-R36 PolarHBondContact O-N 3.08Å
37	K	59.3	Low	61.6	Low	182 Å²	182	106 Å²	106	79%	0.791	56%	0.563	S	S	*	*			trans	-102.7	146.6	168.9	-79.9	-175.1	174.2	-179.7	0	110.3	T35	T35-K37 PolarHBondContact O-N 2.79Å; T35-K37 VanDerWaalsContact O-N 3.14Å
38	T	66	Low	63.2	Low	93 Å²	93	105.5 Å²	105.5	57%	0.571	55%	0.554	S	S	*	*			trans	-68.8	147	166.1	45.9	0	0	0	0	109.7	D40	T38-D40 PolarHBondContact O-N 2.84Å
39	C	71.7	Confident	64.6	Low	46 Å²	46	101.5 Å²	101.5	31%	0.311	53%	0.533	S	S	.	.			trans	-75.5	105.5	174.3	-62.6	0	0	0	0	109.4	F41 G42 Y43	C39-F41 PolarHBondContact O-N 3.49Å; C39-G42 VanDerWaalsContact CB-O 3.27Å; C39-G42 WeakPolarHBondContact CB-O 3.25Å; C39-G42 PolarHBondContact O-N 3.46Å; C39-G42 VanDerWaalsContact O-N 3.11Å; C39-Y43 HydrophobicContact CB-CD1 4.32Å; C39-Y43 HydrophobicContact CB-CE1 4.04Å
40	D	70.6	Confident	66.5	Low	137 Å²	137	100 Å²	100	73%	0.733	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	-176.2	-61.5	-32.7	0	0	0	113.3	T38	T38-D40 PolarHBondContact O-N 2.84Å
41	F	72.8	Confident	68.5	Low	172 Å²	172	101.3 Å²	101.3	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	10.4	-179.2	-60.4	-79	0	0	0	113.8	Q4 C39	Q4-F41 VanDerWaalsContact NE2-CE2 3.26Å; C39-F41 PolarHBondContact O-N 3.49Å
42	G	74.8	Confident	70.3	Confident	34 Å²	34	97.1 Å²	97.1	35%	0.351	50%	0.502	S	S	.	.			trans	85.8	-165.9	-179.1	0	0	0	0	0	114.3	C39	C39-G42 VanDerWaalsContact CB-O 3.27Å; C39-G42 WeakPolarHBondContact CB-O 3.25Å; C39-G42 PolarHBondContact O-N 3.46Å; C39-G42 VanDerWaalsContact O-N 3.11Å
43	Y	78.2	Confident	72.5	Confident	63 Å²	63	91.8 Å²	91.8	25%	0.247	48%	0.48	C	S	.	.			trans	-120.2	135	-169.7	-56.9	-81.8	0	0	0	111.6	C39 N59 V61	C39-Y43 HydrophobicContact CB-CD1 4.32Å; C39-Y43 HydrophobicContact CB-CE1 4.04Å; Y43-N59 HydrophobicContact CD2-CB 4.05Å; Y43-N59 HydrophobicContact CE2-CB 4.12Å; Y43-V61 HydrophobicContact CD1-CG2 3.89Å; Y43-V61 HydrophobicContact CD2-CG2 3.84Å; Y43-V61 HydrophobicContact CE1-CG2 3.6Å; Y43-V61 HydrophobicContact CE2-CG2 3.56Å; Y43-V61 HydrophobicContact CG-CG2 4Å; Y43-V61 VanDerWaalsContact CZ-CG2 3.43Å
44	V	78.7	Confident	74.7	Confident	139 Å²	139	89.8 Å²	89.8	84%	0.842	46%	0.462	S	S	*	.			trans	-97.7	112.4	172.6	-177.8	0	0	0	0	109.2
45	Y	80.5	Confident	76.3	Confident	53 Å²	53	86.9 Å²	86.9	21%	0.208	45%	0.448	C	S	.	.			trans	-92.7	143.4	-178.7	-63.7	-78.3	0	0	0	111.8	T56 N59 V61	Y45-T56 HydrophobicContact CD1-CG2 3.64Å; Y45-T56 HydrophobicContact CD2-CG2 3.68Å; Y45-T56 HydrophobicContact CE1-CG2 4.15Å; Y45-T56 HydrophobicContact CE2-CG2 4.18Å; Y45-T56 HydrophobicContact CG-CG2 3.37Å; Y45-N59 PolarHBondContact OH-OD1 3.37Å; Y45-V61 HydrophobicContact CE1-CG1 3.76Å; Y45-V61 WeakPolarHBondContact OH-CG1 3.48Å
46	D	80.9	Confident	78	Confident	98 Å²	98	83.1 Å²	83.1	52%	0.524	43%	0.425	S	S	.	.			trans	-68.3	133	165.4	-172.8	13.5	0	0	0	110	S48	D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.46Å; D46-S48 VanDerWaalsContact OD1-N 3.13Å; D46-S48 PolarHBondContact OD1-OG 3.25Å; D46-S48 PolarHBondContact OD2-OG 3.34Å
47	R	82.6	Confident	79.5	Confident	157 Å²	157	80.3 Å²	80.3	59%	0.592	42%	0.418	S	S	*	.			trans	-118	15.3	-177.3	-63	-171.6	-176.7	-137.3	10.6	113.3	Y50 V51	R47-Y50 CarbonylContact C-O 3.14Å; R47-Y50 WeakPolarHBondContact CA-O 3.43Å; R47-Y50 WeakPolarHBondContact CB-O 3.33Å; R47-V51 PolarHBondContact NH1-O 3.43Å
48	S	81.4	Confident	80.9	Confident	64 Å²	64	72.8 Å²	72.8	45%	0.448	39%	0.385	S	S	.	.	S	Bend	trans	-55.2	-52.4	175.6	53.8	0	0	0	0	112.3	D46 R179	D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 3.46Å; D46-S48 VanDerWaalsContact OD1-N 3.13Å; D46-S48 PolarHBondContact OD1-OG 3.25Å; D46-S48 PolarHBondContact OD2-OG 3.34Å; S48-R179 PolarHBondContact O-NH1 2.88Å
49	D	76.9	Confident	81.9	Confident	69 Å²	69	71.5 Å²	71.5	37%	0.369	37%	0.374	S	S	.	.	S	Bend	trans	-91.3	-34.9	-177.6	-71.7	-29.7	0	0	0	113.9	R179 Y303	D49-R179 WeakPolarHBondContact O-CD 3.31Å; D49-Y303 PolarHBondContact O-OH 3.21Å; D49-Y303 VanDerWaalsContact O-OH 3.13Å
50	Y	83.8	Confident	82.7	Confident	79 Å²	79	69.4 Å²	69.4	31%	0.31	36%	0.36	S	S	.	.			trans	-131.9	133.2	-174	-56.2	-68.2	0	0	0	111.6	R47 T53 T302 Y303	R47-Y50 CarbonylContact C-O 3.14Å; R47-Y50 WeakPolarHBondContact CA-O 3.43Å; R47-Y50 WeakPolarHBondContact CB-O 3.33Å; Y50-T53 HydrophobicContact CD1-CG2 4.34Å; Y50-T53 HydrophobicContact CD2-CG2 4.08Å; Y50-T53 HydrophobicContact CG-CG2 3.76Å; Y50-T302 WeakPolarHBondContact OH-CG2 3.36Å; Y50-Y303 WeakPolarHBondContact CD1-OH 3.43Å; Y50-Y303 AromaticContact CE1-CZ 3.97Å; Y50-Y303 WeakPolarHBondContact CE1-OH 3.46Å
51	V	86	Confident	83.2	Confident	74 Å²	74	63.7 Å²	63.7	45%	0.448	33%	0.33	S	S	.	.	S	Bend	trans	-75.1	-45.1	176	175.8	0	0	0	0	110.2	R47 R179	R47-V51 PolarHBondContact NH1-O 3.43Å; V51-R179 HydrophobicContact CG2-CB 4.09Å; V51-R179 PolarHBondContact N-O 2.88Å; V51-R179 VanDerWaalsContact N-O 3.11Å
52	S	87.1	Confident	83.4	Confident	19 Å²	19	57.7 Å²	57.7	13%	0.133	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-149.9	146.1	171.4	94.4	0	0	0	0	110.6	D180 W181	S52-D180 WeakPolarHBondContact CB-OD2 3.47Å; S52-D180 PolarHBondContact OG-OD2 3.05Å; S52-W181 PolarHBondContact O-N 3.01Å; S52-W181 VanDerWaalsContact OG-CD1 3.27Å
53	T	90.6	Very high	83.6	Confident	34 Å²	34	60.3 Å²	60.3	21%	0.209	32%	0.315	C	S	.	.			trans	-130.5	166.5	173	69.3	0	0	0	0	110.3	Y50 T55 T56 M57 W181	Y50-T53 HydrophobicContact CD1-CG2 4.34Å; Y50-T53 HydrophobicContact CD2-CG2 4.08Å; Y50-T53 HydrophobicContact CG-CG2 3.76Å; T53-T55 PolarHBondContact O-N 3.44Å; T53-T55 PolarHBondContact OG1-N 2.84Å; T53-T56 PolarHBondContact N-OG1 3.23Å; T53-T56 PolarHBondContact O-N 3.13Å; T53-T56 VanDerWaalsContact O-N 3.1Å; T53-T56 PolarHBondContact O-OG1 2.96Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.29Å; T53-T56 PolarHBondContact OG1-N 2.83Å; T53-M57 PolarHBondContact O-N 3.46Å; T53-W181 VanDerWaalsContact CA-CD1 3.47Å
54	M	87.2	Confident	83.9	Confident	41 Å²	41	63.2 Å²	63.2	20%	0.202	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-34.7	173.6	-166	158.1	64	0	0	111.9	M57 Y58 L60 I71 V122	M54-M57 PolarHBondContact O-N 3.32Å; M54-Y58 HydrophobicContact CG-CD2 3.61Å; M54-Y58 HydrophobicContact CG-CE2 3.87Å; M54-Y58 WeakPolarHBondContact O-CD2 3.38Å; M54-Y58 PolarHBondContact O-N 3.09Å; M54-Y58 VanDerWaalsContact O-N 3.1Å; M54-L60 HydrophobicContact CG-CD1 4.37Å; M54-I71 HydrophobicContact CE-CD1 3.45Å; M54-I71 VanDerWaalsContact CE-CD1 3.45Å; M54-I71 HydrophobicContact CE-CG2 4.2Å; M54-I71 HydrophobicContact SD-CD1 3.91Å; M54-V122 HydrophobicContact SD-CG1 3.61Å
55	T	86.8	Confident	84.1	Confident	37 Å²	37	57.3 Å²	57.3	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-44.9	174.5	-53.1	0	0	0	0	112.1	T53 N59 L60 V61 R68	T53-T55 PolarHBondContact O-N 3.44Å; T53-T55 PolarHBondContact OG1-N 2.84Å; T55-N59 WeakPolarHBondContact O-CA 3.34Å; T55-N59 PolarHBondContact O-N 3.25Å; T55-N59 VanDerWaalsContact O-N 3.1Å; T55-L60 HydrophobicContact CG2-CB 4.28Å; T55-L60 PolarHBondContact O-N 3.37Å; T55-V61 HydrophobicContact CG2-CG1 4.08Å; T55-R68 WeakPolarHBondContact OG1-CD 3.23Å
56	T	86.4	Confident	84.3	Confident	32 Å²	32	60.2 Å²	60.2	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-73.4	-29.1	-179.1	61.8	0	0	0	0	112.5	Y45 T53	Y45-T56 HydrophobicContact CD1-CG2 3.64Å; Y45-T56 HydrophobicContact CD2-CG2 3.68Å; Y45-T56 HydrophobicContact CE1-CG2 4.15Å; Y45-T56 HydrophobicContact CE2-CG2 4.18Å; Y45-T56 HydrophobicContact CG-CG2 3.37Å; T53-T56 PolarHBondContact N-OG1 3.23Å; T53-T56 PolarHBondContact O-N 3.13Å; T53-T56 VanDerWaalsContact O-N 3.1Å; T53-T56 PolarHBondContact O-OG1 2.96Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.29Å; T53-T56 PolarHBondContact OG1-N 2.83Å
57	M	86.7	Confident	84.8	Confident	64 Å²	64	56.5 Å²	56.5	32%	0.315	28%	0.282	S	S	.	.	H	α-helix	trans	-77.8	-40.6	-179	-176.7	171.4	171	0	0	112.5	T53 M54 N117 W181 K182	T53-M57 PolarHBondContact O-N 3.46Å; M54-M57 PolarHBondContact O-N 3.32Å; M57-N117 VanDerWaalsContact CE-OD1 3.31Å; M57-N117 WeakPolarHBondContact CE-OD1 3.33Å; M57-W181 HydrophobicContact SD-CZ2 3.62Å; M57-K182 VanDerWaalsContact CE-NZ 3.33Å; M57-K182 WeakPolarHBondContact SD-CE 3.49Å
58	Y	89.7	Confident	85.1	Confident	24 Å²	24	52.7 Å²	52.7	9%	0.094	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9.1	-176.6	-63.5	-69.4	0	0	0	113.8	M54 L60 V116 N117 V122 W181	M54-Y58 HydrophobicContact CG-CD2 3.61Å; M54-Y58 HydrophobicContact CG-CE2 3.87Å; M54-Y58 WeakPolarHBondContact O-CD2 3.38Å; M54-Y58 PolarHBondContact O-N 3.09Å; M54-Y58 VanDerWaalsContact O-N 3.1Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 3.48Å; Y58-V116 PolarHBondContact OH-O 2.73Å; Y58-N117 WeakPolarHBondContact CE1-O 3.28Å; Y58-V122 HydrophobicContact CE2-CG2 4.06Å; Y58-V122 VanDerWaalsContact OH-CG2 3.27Å; Y58-V122 WeakPolarHBondContact OH-CG2 3.35Å; Y58-W181 HydrophobicContact CE2-CZ2 4.43Å
59	N	86.5	Confident	85.6	Confident	65 Å²	65	50.2 Å²	50.2	35%	0.348	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	48.4	-176.3	-63.5	-38.6	0	0	0	112.2	Y43 Y45 T55 V61	Y43-N59 HydrophobicContact CD2-CB 4.05Å; Y43-N59 HydrophobicContact CE2-CB 4.12Å; Y45-N59 PolarHBondContact OH-OD1 3.37Å; T55-N59 WeakPolarHBondContact O-CA 3.34Å; T55-N59 PolarHBondContact O-N 3.25Å; T55-N59 VanDerWaalsContact O-N 3.1Å; N59-V61 PolarHBondContact O-N 3.36Å
60	L	87.7	Confident	86.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.245	C	C	.	.			trans	-80.3	56.8	-177.4	-51.7	177.7	0	0	0	110.7	M54 T55 Y58 M67 R68 Y119	M54-L60 HydrophobicContact CG-CD1 4.37Å; T55-L60 HydrophobicContact CG2-CB 4.28Å; T55-L60 PolarHBondContact O-N 3.37Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 3.48Å; L60-M67 HydrophobicContact CD2-CB 4.01Å; L60-M67 HydrophobicContact CD2-SD 4.14Å; L60-R68 HydrophobicContact CB-CG 3.7Å; L60-R68 HydrophobicContact CD1-CG 3.8Å; L60-R68 HydrophobicContact CG-CG 4.41Å; L60-R68 PolarHBondContact O-NH1 3.26Å; L60-Y119 HydrophobicContact CD1-CD2 4.08Å; L60-Y119 HydrophobicContact CD1-CE2 4.01Å; L60-Y119 HydrophobicContact CD2-CD2 3.73Å; L60-Y119 HydrophobicContact CD2-CE2 3.99Å; L60-Y119 HydrophobicContact CD2-CG 4.46Å
61	V	82.1	Confident	86.7	Confident	17 Å²	17	46.1 Å²	46.1	10%	0.103	23%	0.232	C	C	.	.			trans	-117	168.2	-177.5	-66	0	0	0	0	110.7	Y43 Y45 T55 N59 D63 R64 A65	Y43-V61 HydrophobicContact CD1-CG2 3.89Å; Y43-V61 HydrophobicContact CD2-CG2 3.84Å; Y43-V61 HydrophobicContact CE1-CG2 3.6Å; Y43-V61 HydrophobicContact CE2-CG2 3.56Å; Y43-V61 HydrophobicContact CG-CG2 4Å; Y43-V61 VanDerWaalsContact CZ-CG2 3.43Å; Y45-V61 HydrophobicContact CE1-CG1 3.76Å; Y45-V61 WeakPolarHBondContact OH-CG1 3.48Å; T55-V61 HydrophobicContact CG2-CG1 4.08Å; N59-V61 PolarHBondContact O-N 3.36Å; V61-D63 PolarHBondContact O-N 3.38Å; V61-R64 WeakPolarHBondContact O-CA 3.45Å; V61-R64 PolarHBondContact O-N 3.02Å; V61-A65 PolarHBondContact O-N 3.32Å
62	C	77.6	Confident	87	Confident	47 Å²	47	45 Å²	45	32%	0.318	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	52.8	-108.9	173	-54	0	0	0	0	114.4	R64 A65 R452	C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 2.92Å; C62-A65 WeakPolarHBondContact O-CB 3.3Å; C62-A65 PolarHBondContact O-N 3.46Å; C62-R452 PolarHBondContact O-NH2 2.94Å
63	D	79.2	Confident	87.4	Confident	89 Å²	89	44.6 Å²	44.6	48%	0.476	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-69.7	-21.9	177.7	64.2	-49.3	0	0	0	112.8	V61 W66	V61-D63 PolarHBondContact O-N 3.38Å; D63-W66 PolarHBondContact O-NE1 3.29Å
64	R	83	Confident	87.6	Confident	124 Å²	124	45.3 Å²	45.3	47%	0.468	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-101.8	3.9	176.9	-60.1	-174.2	-178.1	-166.5	-0.9	113.9	V61 C62 W66 M67	V61-R64 WeakPolarHBondContact O-CA 3.45Å; V61-R64 PolarHBondContact O-N 3.02Å; C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 2.92Å; R64-W66 PolarHBondContact O-N 3.27Å; R64-M67 HydrophobicContact CB-SD 3.94Å; R64-M67 HydrophobicContact CG-CE 4.26Å; R64-M67 HydrophobicContact CG-SD 4.13Å; R64-M67 VanDerWaalsContact O-CB 3.22Å; R64-M67 WeakPolarHBondContact O-CB 3.4Å; R64-M67 PolarHBondContact O-N 2.96Å; R64-M67 VanDerWaalsContact O-N 3.12Å
65	A	82.8	Confident	88	Confident	15 Å²	15	46.6 Å²	46.6	12%	0.124	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.2	-179.1	0	0	0	0	0	113.3	V61 C62 M67 R68	V61-A65 PolarHBondContact O-N 3.32Å; C62-A65 WeakPolarHBondContact O-CB 3.3Å; C62-A65 PolarHBondContact O-N 3.46Å; A65-M67 PolarHBondContact O-N 3.45Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 PolarHBondContact O-NE 2.96Å
66	W	85.7	Confident	88.4	Confident	113 Å²	113	44.9 Å²	44.9	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-23.2	179.3	65.7	-89.8	0	0	0	114.3	D63 R64 R68 D69 L70 L445	D63-W66 PolarHBondContact O-NE1 3.29Å; R64-W66 PolarHBondContact O-N 3.27Å; W66-R68 PolarHBondContact O-N 3.07Å; W66-D69 PolarHBondContact O-N 2.92Å; W66-L70 HydrophobicContact CE3-CB 4.36Å; W66-L70 HydrophobicContact CE3-CD2 4.44Å; W66-L70 HydrophobicContact CH2-CD2 4.5Å; W66-L70 HydrophobicContact CZ3-CB 4.46Å; W66-L70 HydrophobicContact CZ3-CD2 3.74Å; W66-L70 PolarHBondContact O-N 3.13Å; W66-L445 HydrophobicContact CB-CD1 3.99Å; W66-L445 HydrophobicContact CB-CD2 3.28Å; W66-L445 HydrophobicContact CB-CG 4.28Å
67	M	90.7	Very high	88.8	Confident	21 Å²	21	48 Å²	48	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-24.4	177.8	-68.2	-175.2	174.8	0	0	112.5	L60 R64 A65 I71 Y119	L60-M67 HydrophobicContact CD2-CB 4.01Å; L60-M67 HydrophobicContact CD2-SD 4.14Å; R64-M67 HydrophobicContact CB-SD 3.94Å; R64-M67 HydrophobicContact CG-CE 4.26Å; R64-M67 HydrophobicContact CG-SD 4.13Å; R64-M67 VanDerWaalsContact O-CB 3.22Å; R64-M67 WeakPolarHBondContact O-CB 3.4Å; R64-M67 PolarHBondContact O-N 2.96Å; R64-M67 VanDerWaalsContact O-N 3.12Å; A65-M67 PolarHBondContact O-N 3.45Å; M67-I71 PolarHBondContact O-N 2.9Å; M67-Y119 WeakPolarHBondContact CA-OH 3.37Å; M67-Y119 HydrophobicContact CB-CE1 4.26Å; M67-Y119 HydrophobicContact CB-CE2 3.72Å; M67-Y119 WeakPolarHBondContact CB-OH 3.24Å; M67-Y119 HydrophobicContact CG-CE1 4.34Å; M67-Y119 PolarHBondContact O-OH 2.88Å; M67-Y119 HydrophobicContact SD-CD1 4.41Å; M67-Y119 HydrophobicContact SD-CE1 4.2Å
68	R	90	Very high	89.3	Confident	77 Å²	77	44.9 Å²	44.9	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-40.1	175.3	-59.9	-177.3	-57.3	-119.6	4.5	111.8	T55 L60 A65 W66	T55-R68 WeakPolarHBondContact OG1-CD 3.23Å; L60-R68 HydrophobicContact CB-CG 3.7Å; L60-R68 HydrophobicContact CD1-CG 3.8Å; L60-R68 HydrophobicContact CG-CG 4.41Å; L60-R68 PolarHBondContact O-NH1 3.26Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 PolarHBondContact O-NE 2.96Å; W66-R68 PolarHBondContact O-N 3.07Å
69	D	90.2	Very high	89.5	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-80.9	-31.4	-177.3	-58.1	-32.2	0	0	0	110.6	W66 I71 K72 S73 Y294 P441 L445	W66-D69 PolarHBondContact O-N 2.92Å; D69-I71 PolarHBondContact O-N 3.36Å; D69-K72 PolarHBondContact O-N 2.95Å; D69-K72 IonicContact OD1-NZ 4Å; D69-S73 PolarHBondContact O-N 3.24Å; D69-S73 VanDerWaalsContact O-N 3.12Å; D69-S73 PolarHBondContact O-OG 3.04Å; D69-Y294 VanDerWaalsContact CG-OH 3.24Å; D69-Y294 PolarHBondContact OD1-OH 2.96Å; D69-P441 HydrophobicContact CB-CB 3.78Å; D69-L445 HydrophobicContact CB-CD1 3.92Å; D69-L445 HydrophobicContact CB-CG 4.44Å
70	L	91.5	Very high	89.8	Confident	55 Å²	55	42 Å²	42	29%	0.288	20%	0.195	S	C	.	.	H	α-helix	trans	-56.9	-44.5	170.7	-176.4	70.8	0	0	0	112.3	W66 K72 S73 L74	W66-L70 HydrophobicContact CE3-CB 4.36Å; W66-L70 HydrophobicContact CE3-CD2 4.44Å; W66-L70 HydrophobicContact CH2-CD2 4.5Å; W66-L70 HydrophobicContact CZ3-CB 4.46Å; W66-L70 HydrophobicContact CZ3-CD2 3.74Å; W66-L70 PolarHBondContact O-N 3.13Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.46Å; L70-S73 CarbonylContact O-C 3.43Å; L70-S73 PolarHBondContact O-N 3.32Å; L70-S73 VanDerWaalsContact O-N 3.15Å; L70-L74 HydrophobicContact CD1-CG 4.38Å; L70-L74 HydrophobicContact CD2-CD1 4.23Å; L70-L74 HydrophobicContact CG-CD1 3.94Å; L70-L74 HydrophobicContact CG-CG 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.84Å
71	I	93.6	Very high	90	Very high	7 Å²	7	45 Å²	45	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-44.2	179.7	-75	175.2	0	0	0	111	M54 M67 D69 S73 L74 W75 Y119 V122 A123 E126	M54-I71 HydrophobicContact CE-CD1 3.45Å; M54-I71 VanDerWaalsContact CE-CD1 3.45Å; M54-I71 HydrophobicContact CE-CG2 4.2Å; M54-I71 HydrophobicContact SD-CD1 3.91Å; M67-I71 PolarHBondContact O-N 2.9Å; D69-I71 PolarHBondContact O-N 3.36Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.25Å; I71-L74 PolarHBondContact O-N 3.17Å; I71-W75 PolarHBondContact O-N 3.4Å; I71-Y119 HydrophobicContact CD1-CD2 3.92Å; I71-Y119 HydrophobicContact CD1-CE2 3.26Å; I71-Y119 HydrophobicContact CG1-CE2 3.78Å; I71-V122 HydrophobicContact CD1-CG1 4.12Å; I71-A123 HydrophobicContact CG1-CB 4.22Å; I71-E126 HydrophobicContact CG2-CB 4.07Å; I71-E126 HydrophobicContact CG2-CG 3.84Å
72	K	92.6	Very high	90.5	Very high	51 Å²	51	44.1 Å²	44.1	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-42.2	177.6	-63	175	-174.3	169	0	111.6	D69 L70 W75 M76 W293 P441	D69-K72 PolarHBondContact O-N 2.95Å; D69-K72 IonicContact OD1-NZ 4Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.46Å; K72-W75 PolarHBondContact O-N 3.27Å; K72-M76 PolarHBondContact O-N 3.2Å; K72-M76 VanDerWaalsContact O-N 3.13Å; K72-W293 HydrophobicContact CB-CE3 4.22Å; K72-W293 HydrophobicContact CB-CH2 3.77Å; K72-W293 HydrophobicContact CB-CZ2 4.16Å; K72-W293 HydrophobicContact CB-CZ3 3.9Å; K72-W293 HydrophobicContact CD-CB 4.21Å; K72-W293 HydrophobicContact CD-CD2 4.09Å; K72-W293 HydrophobicContact CD-CE3 4.11Å; K72-W293 HydrophobicContact CD-CG 4.23Å; K72-W293 WeakPolarHBondContact O-CH2 3.49Å; K72-P441 HydrophobicContact CB-CB 4.36Å; K72-P441 HydrophobicContact CB-CG 3.77Å; K72-P441 HydrophobicContact CD-CB 4.48Å; K72-P441 HydrophobicContact CD-CG 4.36Å
73	S	94.3	Very high	91	Very high	9 Å²	9	43 Å²	43	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-39.3	175.7	-66.8	0	0	0	0	112.1	D69 L70 I71 M76 F77 I438 Q442	D69-S73 PolarHBondContact O-N 3.24Å; D69-S73 VanDerWaalsContact O-N 3.12Å; D69-S73 PolarHBondContact O-OG 3.04Å; L70-S73 CarbonylContact O-C 3.43Å; L70-S73 PolarHBondContact O-N 3.32Å; L70-S73 VanDerWaalsContact O-N 3.15Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.25Å; S73-M76 PolarHBondContact O-N 2.9Å; S73-F77 WeakPolarHBondContact O-CB 3.29Å; S73-F77 PolarHBondContact O-N 3.38Å; S73-I438 PolarHBondContact OG-O 2.94Å; S73-Q442 PolarHBondContact OG-NE2 2.73Å
74	L	95.4	Very high	91.3	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-41.5	176	-74.6	173.1	0	0	0	111.8	L70 I71 M76 F77 G78 A123 F127	L70-L74 HydrophobicContact CD1-CG 4.38Å; L70-L74 HydrophobicContact CD2-CD1 4.23Å; L70-L74 HydrophobicContact CG-CD1 3.94Å; L70-L74 HydrophobicContact CG-CG 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.84Å; I71-L74 PolarHBondContact O-N 3.17Å; L74-M76 PolarHBondContact O-N 3.41Å; L74-F77 PolarHBondContact O-N 2.84Å; L74-G78 PolarHBondContact O-N 3.41Å; L74-A123 HydrophobicContact CD1-CB 3.83Å; L74-F127 HydrophobicContact CB-CB 4.48Å
75	W	95.4	Very high	91.7	Very high	68 Å²	68	39 Å²	39	26%	0.258	19%	0.187	S	C	.	.	H	α-helix	trans	-58.7	-47.5	173.4	-173.5	92.1	0	0	0	111.3	I71 K72 F77 G78 V79 W293	I71-W75 PolarHBondContact O-N 3.4Å; K72-W75 PolarHBondContact O-N 3.27Å; W75-F77 VanDerWaalsContact C-N 3.34Å; W75-F77 PolarHBondContact O-N 3.25Å; W75-G78 WeakPolarHBondContact O-CA 3.2Å; W75-G78 PolarHBondContact O-N 2.74Å; W75-G78 VanDerWaalsContact O-N 3.14Å; W75-V79 HydrophobicContact CD2-CG2 4.21Å; W75-V79 HydrophobicContact CE3-CG2 3.84Å; W75-V79 HydrophobicContact CH2-CG2 3.77Å; W75-V79 HydrophobicContact CZ2-CG2 4.13Å; W75-V79 HydrophobicContact CZ3-CG2 3.61Å; W75-V79 WeakPolarHBondContact O-CG2 3.38Å; W75-V79 PolarHBondContact O-N 2.87Å; W75-W293 HydrophobicContact CE3-CZ2 4.47Å
76	M	94.5	Very high	92	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-33.3	176.4	-75.6	-68.4	174.2	0	0	113.7	K72 S73 L74 G78 V79 L80 Y289 W293 A437 I438	K72-M76 PolarHBondContact O-N 3.2Å; K72-M76 VanDerWaalsContact O-N 3.13Å; S73-M76 PolarHBondContact O-N 2.9Å; L74-M76 PolarHBondContact O-N 3.41Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-V79 WeakPolarHBondContact O-CB 3.29Å; M76-V79 PolarHBondContact O-N 3.28Å; M76-L80 PolarHBondContact O-N 2.71Å; M76-Y289 HydrophobicContact CE-CD1 3.45Å; M76-Y289 VanDerWaalsContact CE-CD1 3.45Å; M76-Y289 HydrophobicContact CE-CD2 4.2Å; M76-Y289 HydrophobicContact CE-CE1 3.34Å; M76-Y289 HydrophobicContact CE-CE2 4.09Å; M76-Y289 HydrophobicContact CE-CG 3.9Å; M76-W293 HydrophobicContact CE-CH2 3.5Å; M76-W293 VanDerWaalsContact CE-CH2 3.5Å; M76-W293 HydrophobicContact CE-CZ2 3.31Å; M76-W293 HydrophobicContact CE-CZ3 4.45Å; M76-W293 HydrophobicContact CG-CH2 3.38Å; M76-W293 HydrophobicContact CG-CZ2 4Å; M76-W293 HydrophobicContact CG-CZ3 4.34Å; M76-W293 HydrophobicContact SD-CH2 4.34Å; M76-A437 HydrophobicContact CB-CB 4.49Å; M76-A437 HydrophobicContact CE-CB 4.13Å; M76-A437 HydrophobicContact CG-CB 3.92Å; M76-A437 HydrophobicContact SD-CB 3.62Å; M76-I438 HydrophobicContact CB-CB 4.49Å; M76-I438 HydrophobicContact CB-CG1 3.53Å
77	F	95.5	Very high	91.8	Very high	97 Å²	97	34.5 Å²	34.5	43%	0.425	17%	0.172	S	C	.	.	H	α-helix	trans	-65.2	-39.4	172.5	-177.7	-112.1	0	0	0	111.1	S73 L74 W75 L80 L81 F127 I438	S73-F77 WeakPolarHBondContact O-CB 3.29Å; S73-F77 PolarHBondContact O-N 3.38Å; L74-F77 PolarHBondContact O-N 2.84Å; W75-F77 VanDerWaalsContact C-N 3.34Å; W75-F77 PolarHBondContact O-N 3.25Å; F77-L80 HydrophobicContact CD2-CD2 4.47Å; F77-L80 PolarHBondContact O-N 2.91Å; F77-L81 PolarHBondContact O-N 3.05Å; F77-F127 AromaticContact CD1-CD2 3.91Å; F77-F127 HydrophobicContact CD1-CD2 3.91Å; F77-F127 AromaticContact CD1-CE2 3.48Å; F77-F127 HydrophobicContact CD1-CE2 3.48Å; F77-F127 VanDerWaalsContact CD1-CE2 3.48Å; F77-F127 AromaticContact CE1-CE2 3.86Å; F77-F127 HydrophobicContact CE1-CE2 3.86Å; F77-F127 HydrophobicContact CG-CE2 4.47Å; F77-I438 HydrophobicContact CB-CD1 4.16Å; F77-I438 HydrophobicContact CD2-CD1 4.21Å
78	G	96.5	Very high	91.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.5	-50.8	167.4	0	0	0	0	0	111.5	L74 W75 M76 L80 L81 G82 F127 L131	L74-G78 PolarHBondContact O-N 3.41Å; W75-G78 WeakPolarHBondContact O-CA 3.2Å; W75-G78 PolarHBondContact O-N 2.74Å; W75-G78 VanDerWaalsContact O-N 3.14Å; M76-G78 VanDerWaalsContact C-N 3.31Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å; G78-L81 PolarHBondContact O-N 3.48Å; G78-G82 PolarHBondContact O-N 3.39Å; G78-F127 WeakPolarHBondContact CA-O 3.31Å; G78-L131 VanDerWaalsContact O-CA 3.27Å; G78-L131 WeakPolarHBondContact O-CA 3.43Å
79	V	94.4	Very high	91.4	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-40.9	178	175.7	0	0	0	0	112.4	W75 M76 G82 S83 G130 A134	W75-V79 HydrophobicContact CD2-CG2 4.21Å; W75-V79 HydrophobicContact CE3-CG2 3.84Å; W75-V79 HydrophobicContact CH2-CG2 3.77Å; W75-V79 HydrophobicContact CZ2-CG2 4.13Å; W75-V79 HydrophobicContact CZ3-CG2 3.61Å; W75-V79 WeakPolarHBondContact O-CG2 3.38Å; W75-V79 PolarHBondContact O-N 2.87Å; M76-V79 WeakPolarHBondContact O-CB 3.29Å; M76-V79 PolarHBondContact O-N 3.28Å; V79-G82 PolarHBondContact O-N 3.24Å; V79-S83 PolarHBondContact O-N 3.29Å; V79-G130 WeakPolarHBondContact CA-O 3.47Å; V79-G130 VanDerWaalsContact CG2-O 3.29Å; V79-G130 WeakPolarHBondContact CG2-O 3.38Å; V79-G130 PolarHBondContact N-O 3.35Å; V79-A134 HydrophobicContact CG1-CB 4.09Å; V79-A134 VanDerWaalsContact O-CB 3.29Å; V79-A134 WeakPolarHBondContact O-CB 3.44Å
80	L	92.4	Very high	91.3	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-47	175.9	173.7	61.5	0	0	0	111.8	M76 F77 G78 G82 S83 L84 M431 R434 L435 I438	M76-L80 PolarHBondContact O-N 2.71Å; F77-L80 HydrophobicContact CD2-CD2 4.47Å; F77-L80 PolarHBondContact O-N 2.91Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å; L80-G82 VanDerWaalsContact C-N 3.34Å; L80-S83 PolarHBondContact O-OG 3.47Å; L80-L84 PolarHBondContact O-N 3.48Å; L80-M431 HydrophobicContact CD1-CB 4.17Å; L80-M431 HydrophobicContact CD1-CG 4.09Å; L80-R434 HydrophobicContact CB-CB 4.01Å; L80-R434 HydrophobicContact CB-CG 4.39Å; L80-R434 HydrophobicContact CD1-CB 4.02Å; L80-R434 HydrophobicContact CD1-CG 4.33Å; L80-R434 HydrophobicContact CG-CB 4.46Å; L80-L435 HydrophobicContact CD2-CD2 4.13Å; L80-I438 HydrophobicContact CB-CD1 4.49Å; L80-I438 HydrophobicContact CD2-CD1 4.04Å
81	L	93.4	Very high	91	Very high	63 Å²	63	37.6 Å²	37.6	33%	0.33	20%	0.198	S	C	.	.	H	α-helix	trans	-69.2	-36	178.9	-172.8	62.5	0	0	0	111.6	F77 G78 L84 T85 F127 L131	F77-L81 PolarHBondContact O-N 3.05Å; G78-L81 PolarHBondContact O-N 3.48Å; L81-L84 WeakPolarHBondContact O-CB 3.2Å; L81-L84 PolarHBondContact O-N 3.41Å; L81-T85 HydrophobicContact CD1-CG2 4.14Å; L81-T85 HydrophobicContact CG-CG2 4.29Å; L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 WeakPolarHBondContact O-CG2 3.3Å; L81-T85 PolarHBondContact O-N 3.2Å; L81-T85 PolarHBondContact O-OG1 3.02Å; L81-F127 HydrophobicContact CD2-CE2 4.46Å; L81-F127 HydrophobicContact CD2-CZ 3.85Å; L81-L131 HydrophobicContact CD2-CD1 4.13Å; L81-L131 HydrophobicContact CG-CD1 4.3Å
82	G	92.6	Very high	90.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-40.1	176.5	0	0	0	0	0	112.6	G78 V79 L80 L84 T85 L86	G78-G82 PolarHBondContact O-N 3.39Å; V79-G82 PolarHBondContact O-N 3.24Å; L80-G82 VanDerWaalsContact C-N 3.34Å; G82-L84 VanDerWaalsContact C-N 3.28Å; G82-L84 PolarHBondContact O-N 2.91Å; G82-T85 PolarHBondContact O-N 3.2Å; G82-L86 WeakPolarHBondContact O-CA 3.37Å; G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.5Å; G82-L86 PolarHBondContact O-N 2.79Å
83	S	87.5	Confident	90.5	Very high	22 Å²	22	49 Å²	49	15%	0.154	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-33.9	177.2	71.2	0	0	0	0	112.4	V79 L80 G87	V79-S83 PolarHBondContact O-N 3.29Å; L80-S83 PolarHBondContact O-OG 3.47Å; S83-G87 WeakPolarHBondContact O-CA 3.4Å; S83-G87 PolarHBondContact O-N 3.48Å
84	L	86	Confident	90.1	Very high	78 Å²	78	48.6 Å²	48.6	41%	0.408	24%	0.237	S	C	.	.	H	α-helix	trans	-70.8	-47.8	174.1	-79.4	173.8	0	0	0	113	L80 L81 G82 T88 M431	L80-L84 PolarHBondContact O-N 3.48Å; L81-L84 WeakPolarHBondContact O-CB 3.2Å; L81-L84 PolarHBondContact O-N 3.41Å; G82-L84 VanDerWaalsContact C-N 3.28Å; G82-L84 PolarHBondContact O-N 2.91Å; L84-T88 VanDerWaalsContact O-CG2 3.31Å; L84-T88 WeakPolarHBondContact O-CG2 3.42Å; L84-T88 PolarHBondContact O-OG1 3.07Å; L84-T88 VanDerWaalsContact O-OG1 3.09Å; L84-M431 HydrophobicContact CD1-CE 3.98Å; L84-M431 HydrophobicContact CD2-CE 3.06Å; L84-M431 HydrophobicContact CG-CE 3.76Å
85	T	90	Very high	89.9	Confident	51 Å²	51	47.1 Å²	47.1	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-83.5	-61	-173.4	54	0	0	0	0	111.4	L81 G82 G87 T88 L89	L81-T85 HydrophobicContact CD1-CG2 4.14Å; L81-T85 HydrophobicContact CG-CG2 4.29Å; L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 WeakPolarHBondContact O-CG2 3.3Å; L81-T85 PolarHBondContact O-N 3.2Å; L81-T85 PolarHBondContact O-OG1 3.02Å; G82-T85 PolarHBondContact O-N 3.2Å; T85-G87 VanDerWaalsContact C-N 3.26Å; T85-G87 PolarHBondContact O-N 3.26Å; T85-T88 PolarHBondContact O-N 3.03Å; T85-T88 PolarHBondContact O-OG1 3.04Å; T85-L89 VanDerWaalsContact O-CG 3.32Å; T85-L89 WeakPolarHBondContact O-CG 3.43Å; T85-L89 PolarHBondContact O-N 2.91Å
86	L	89.6	Confident	89.6	Confident	24 Å²	24	46.5 Å²	46.5	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-27.5	-178.1	-58.4	-177.7	0	0	0	112.3	G82 L89 S90 I98 L131	G82-L86 WeakPolarHBondContact O-CA 3.37Å; G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.5Å; G82-L86 PolarHBondContact O-N 2.79Å; L86-L89 HydrophobicContact CD2-CD1 4.08Å; L86-L89 PolarHBondContact O-N 3.41Å; L86-S90 WeakPolarHBondContact O-CB 3.04Å; L86-S90 PolarHBondContact O-N 2.69Å; L86-I98 HydrophobicContact CB-CG2 4.22Å; L86-L131 HydrophobicContact CD1-CD2 3.96Å; L86-L131 VanDerWaalsContact CD1-O 3.27Å; L86-L131 WeakPolarHBondContact CD1-O 3.43Å; L86-L131 HydrophobicContact CG-CD2 4.27Å
87	G	80.9	Confident	89.3	Confident	11 Å²	11	49.5 Å²	49.5	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-54.5	171.1	0	0	0	0	0	111.9	S83 T85 L89 S90 D91	S83-G87 WeakPolarHBondContact O-CA 3.4Å; S83-G87 PolarHBondContact O-N 3.48Å; T85-G87 VanDerWaalsContact C-N 3.26Å; T85-G87 PolarHBondContact O-N 3.26Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.12Å; G87-S90 WeakPolarHBondContact O-CB 3.42Å; G87-S90 PolarHBondContact O-N 2.71Å; G87-S90 PolarHBondContact O-OG 2.93Å; G87-D91 PolarHBondContact O-N 3.45Å
88	T	84.2	Confident	89.1	Confident	91 Å²	91	45.4 Å²	45.4	56%	0.558	23%	0.228	S	C	*	.	H	α-helix	trans	-65.6	-34.8	178.3	56.6	0	0	0	0	112.7	L84 T85 S90 D91 R92	L84-T88 VanDerWaalsContact O-CG2 3.31Å; L84-T88 WeakPolarHBondContact O-CG2 3.42Å; L84-T88 PolarHBondContact O-OG1 3.07Å; L84-T88 VanDerWaalsContact O-OG1 3.09Å; T85-T88 PolarHBondContact O-N 3.03Å; T85-T88 PolarHBondContact O-OG1 3.04Å; T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.47Å; T88-D91 PolarHBondContact O-N 3.26Å; T88-R92 PolarHBondContact O-N 3.03Å
89	L	88.7	Confident	88.9	Confident	61 Å²	61	46.8 Å²	46.8	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-31.7	172.7	-65.5	-176.3	0	0	0	112.3	T85 L86 G87 D91 R92 Y93 I98	T85-L89 VanDerWaalsContact O-CG 3.32Å; T85-L89 WeakPolarHBondContact O-CG 3.43Å; T85-L89 PolarHBondContact O-N 2.91Å; L86-L89 HydrophobicContact CD2-CD1 4.08Å; L86-L89 PolarHBondContact O-N 3.41Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.12Å; L89-D91 VanDerWaalsContact C-N 3.35Å; L89-R92 PolarHBondContact O-N 2.89Å; L89-Y93 HydrophobicContact CB-CD2 4.33Å; L89-Y93 HydrophobicContact CD2-CD2 4.22Å; L89-Y93 HydrophobicContact CD2-CE2 3.87Å; L89-Y93 PolarHBondContact O-N 3.5Å; L89-I98 HydrophobicContact CB-CD1 4.03Å; L89-I98 HydrophobicContact CB-CG1 4.33Å
90	S	88.7	Confident	88.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-37.2	178.5	85.2	0	0	0	0	112.1	L86 G87 T88 R92 G94 R95	L86-S90 WeakPolarHBondContact O-CB 3.04Å; L86-S90 PolarHBondContact O-N 2.69Å; G87-S90 WeakPolarHBondContact O-CB 3.42Å; G87-S90 PolarHBondContact O-N 2.71Å; G87-S90 PolarHBondContact O-OG 2.93Å; T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.47Å; S90-R92 VanDerWaalsContact C-N 3.33Å; S90-G94 CarbonylContact O-C 3.59Å; S90-G94 VanDerWaalsContact O-CA 3.23Å; S90-G94 WeakPolarHBondContact O-CA 3.35Å; S90-G94 PolarHBondContact O-N 3.18Å; S90-R95 PolarHBondContact O-N 3.46Å
91	D	84.5	Confident	88.6	Confident	76 Å²	76	52.2 Å²	52.2	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-74.2	-27.4	174.7	-63.3	-40.2	0	0	0	111.6	G87 T88 L89 R95 W215 R219	G87-D91 PolarHBondContact O-N 3.45Å; T88-D91 PolarHBondContact O-N 3.26Å; L89-D91 VanDerWaalsContact C-N 3.35Å; D91-R95 IonicContact OD1-CZ 2.78Å; D91-R95 IonicContact OD1-NE 3.87Å; D91-R95 PolarHBondContact OD1-NE 3.28Å; D91-R95 IonicContact OD1-NH2 2.79Å; D91-R95 PolarHBondContact OD1-NH2 2.46Å; D91-R95 VanDerWaalsContact OD1-NH2 3.12Å; D91-W215 PolarHBondContact O-NE1 3.49Å; D91-R219 PolarHBondContact O-NH2 3.34Å
92	R	86.8	Confident	88.6	Confident	159 Å²	159	49.4 Å²	49.4	60%	0.6	25%	0.247	S	C	*	.	H	α-helix	trans	-76.3	-54.8	176.3	-170.8	175.6	-68	-162.6	-0.2	112.8	T88 L89 S90 R219	T88-R92 PolarHBondContact O-N 3.03Å; L89-R92 PolarHBondContact O-N 2.89Å; S90-R92 VanDerWaalsContact C-N 3.33Å; R92-R219 PolarHBondContact O-NH2 2.81Å
93	Y	88.4	Confident	88.6	Confident	138 Å²	138	49.9 Å²	49.9	54%	0.541	25%	0.251	S	S	.	.	H	α-helix	trans	-97.8	-11.2	-169.1	-65.6	-62.5	0	0	0	114.3	L89	L89-Y93 HydrophobicContact CB-CD2 4.33Å; L89-Y93 HydrophobicContact CD2-CD2 4.22Å; L89-Y93 HydrophobicContact CD2-CE2 3.87Å; L89-Y93 PolarHBondContact O-N 3.5Å
94	G	86.8	Confident	88.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.			trans	105.1	140.8	-175.6	0	0	0	0	0	111.1	S90 T97 I98 W215	S90-G94 CarbonylContact O-C 3.59Å; S90-G94 VanDerWaalsContact O-CA 3.23Å; S90-G94 WeakPolarHBondContact O-CA 3.35Å; S90-G94 PolarHBondContact O-N 3.18Å; G94-T97 PolarHBondContact O-N 3.3Å; G94-I98 PolarHBondContact O-N 3.44Å; G94-W215 VanDerWaalsContact CA-CZ2 3.44Å; G94-W215 VanDerWaalsContact N-CZ2 3.34Å
95	R	90.2	Very high	89.2	Confident	18 Å²	18	51.9 Å²	51.9	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-74.4	-38.6	-170.2	-59.5	-169.8	-178.1	135.6	-3.3	111.5	S90 D91 T97 I98 F99 A139 I143 E146 E211 S212	S90-R95 PolarHBondContact O-N 3.46Å; D91-R95 IonicContact OD1-CZ 2.78Å; D91-R95 IonicContact OD1-NE 3.87Å; D91-R95 PolarHBondContact OD1-NE 3.28Å; D91-R95 IonicContact OD1-NH2 2.79Å; D91-R95 PolarHBondContact OD1-NH2 2.46Å; D91-R95 VanDerWaalsContact OD1-NH2 3.12Å; R95-T97 VanDerWaalsContact C-N 3.3Å; R95-T97 PolarHBondContact O-N 2.88Å; R95-I98 PolarHBondContact O-N 3.47Å; R95-F99 VanDerWaalsContact O-CB 3.29Å; R95-F99 WeakPolarHBondContact O-CB 3.49Å; R95-F99 PolarHBondContact O-N 2.9Å; R95-A139 HydrophobicContact CB-CB 4.41Å; R95-I143 HydrophobicContact CB-CD1 3.84Å; R95-I143 HydrophobicContact CB-CG1 3.84Å; R95-E146 IonicContact CZ-OE1 2.76Å; R95-E146 IonicContact CZ-OE2 3.41Å; R95-E146 IonicContact NH1-OE1 2.87Å; R95-E146 PolarHBondContact NH1-OE1 2.88Å; R95-E146 IonicContact NH1-OE2 3Å; R95-E146 PolarHBondContact NH1-OE2 3.05Å; R95-E146 IonicContact NH2-OE1 2.74Å; R95-E211 PolarHBondContact N-OE1 3.3Å; R95-E211 PolarHBondContact N-OE2 2.85Å; R95-S212 PolarHBondContact NH1-OG 2.99Å
96	K	89.6	Confident	89.4	Confident	56 Å²	56	51.5 Å²	51.5	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-42.2	174.6	176.2	171.5	-179.2	171.2	0	111.6	F99 I100 M209 E211	K96-F99 PolarHBondContact O-N 3.45Å; K96-I100 HydrophobicContact CG-CD1 3.88Å; K96-I100 WeakPolarHBondContact O-CG1 3.2Å; K96-I100 PolarHBondContact O-N 3.28Å; K96-M209 HydrophobicContact CB-CE 4.08Å; K96-M209 HydrophobicContact CD-CE 4.43Å; K96-M209 WeakPolarHBondContact CE-O 3.32Å; K96-M209 HydrophobicContact CG-CE 3.74Å; K96-M209 PolarHBondContact NZ-O 3.31Å; K96-E211 VanDerWaalsContact CB-OE2 3.27Å; K96-E211 WeakPolarHBondContact CB-OE2 3.35Å; K96-E211 PolarHBondContact N-OE1 2.94Å; K96-E211 PolarHBondContact N-OE2 3.33Å; K96-E211 VanDerWaalsContact N-OE2 3.16Å
97	T	89.7	Confident	89.6	Confident	63 Å²	63	51 Å²	51	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-49.7	179.5	-59.1	0	0	0	0	111.2	G94 R95 F99 I100 I101	G94-T97 PolarHBondContact O-N 3.3Å; R95-T97 VanDerWaalsContact C-N 3.3Å; R95-T97 PolarHBondContact O-N 2.88Å; T97-F99 VanDerWaalsContact C-N 3.33Å; T97-F99 PolarHBondContact O-N 3.39Å; T97-I100 PolarHBondContact O-N 3.42Å; T97-I101 HydrophobicContact CG2-CD1 3.71Å; T97-I101 HydrophobicContact CG2-CG1 4.47Å; T97-I101 WeakPolarHBondContact O-CG1 3.5Å; T97-I101 PolarHBondContact O-N 3.06Å
98	I	91.3	Very high	90.2	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-38.3	178.2	-66.2	-53	0	0	0	111.7	L86 L89 G94 R95 I100 I101 S102	L86-I98 HydrophobicContact CB-CG2 4.22Å; L89-I98 HydrophobicContact CB-CD1 4.03Å; L89-I98 HydrophobicContact CB-CG1 4.33Å; G94-I98 PolarHBondContact O-N 3.44Å; R95-I98 PolarHBondContact O-N 3.47Å; I98-I100 PolarHBondContact O-N 2.78Å; I98-I101 PolarHBondContact O-N 2.83Å; I98-S102 WeakPolarHBondContact O-CB 3.38Å; I98-S102 PolarHBondContact O-N 2.83Å; I98-S102 PolarHBondContact O-OG 2.93Å
99	F	90.7	Very high	90.8	Very high	29 Å²	29	51.8 Å²	51.8	13%	0.127	25%	0.253	C	S	.	.	H	α-helix	trans	-55.2	-53.6	173.5	179.7	-95.3	0	0	0	111.3	R95 K96 T97 I101 S102 S103 V136 A139 A140 P197 M209	R95-F99 VanDerWaalsContact O-CB 3.29Å; R95-F99 WeakPolarHBondContact O-CB 3.49Å; R95-F99 PolarHBondContact O-N 2.9Å; K96-F99 PolarHBondContact O-N 3.45Å; T97-F99 VanDerWaalsContact C-N 3.33Å; T97-F99 PolarHBondContact O-N 3.39Å; F99-I101 PolarHBondContact O-N 3.34Å; F99-S102 PolarHBondContact O-N 3.34Å; F99-S103 WeakPolarHBondContact O-CB 3.31Å; F99-S103 PolarHBondContact O-N 3.25Å; F99-S103 PolarHBondContact O-OG 3.4Å; F99-V136 HydrophobicContact CD2-CG1 4.06Å; F99-V136 WeakPolarHBondContact CD2-O 3.17Å; F99-V136 HydrophobicContact CE2-CB 4.45Å; F99-V136 HydrophobicContact CE2-CG1 3.51Å; F99-V136 HydrophobicContact CZ-CG1 4.21Å; F99-A139 HydrophobicContact CB-CB 3.86Å; F99-A139 HydrophobicContact CD2-CB 4.34Å; F99-A140 HydrophobicContact CD2-CB 4.04Å; F99-A140 HydrophobicContact CE2-CB 3.73Å; F99-P197 HydrophobicContact CD1-CG 4.14Å; F99-P197 HydrophobicContact CE1-CG 3.77Å; F99-M209 HydrophobicContact CB-CE 4.23Å; F99-M209 HydrophobicContact CD1-CE 3.53Å; F99-M209 HydrophobicContact CD1-SD 4.22Å; F99-M209 HydrophobicContact CE1-CE 4.12Å; F99-M209 HydrophobicContact CE1-SD 4.22Å; F99-M209 HydrophobicContact CG-CE 3.98Å
100	I	90	Very high	91.1	Very high	43 Å²	43	49.5 Å²	49.5	22%	0.221	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-48.1	-178.4	-67.4	163.8	0	0	0	111.6	K96 T97 I98 S102 S103 F104 P197	K96-I100 HydrophobicContact CG-CD1 3.88Å; K96-I100 WeakPolarHBondContact O-CG1 3.2Å; K96-I100 PolarHBondContact O-N 3.28Å; T97-I100 PolarHBondContact O-N 3.42Å; I98-I100 PolarHBondContact O-N 2.78Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 3.12Å; I100-S103 PolarHBondContact O-N 3.24Å; I100-F104 WeakPolarHBondContact O-CB 3.31Å; I100-F104 PolarHBondContact O-N 2.96Å; I100-P197 HydrophobicContact CG1-CB 4.44Å; I100-P197 HydrophobicContact CG1-CG 3.97Å
101	I	91.8	Very high	91.4	Very high	100 Å²	100	50.7 Å²	50.7	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-45.1	-179.5	-67.4	171.1	0	0	0	110.3	T97 I98 F99 F104 A105	T97-I101 HydrophobicContact CG2-CD1 3.71Å; T97-I101 HydrophobicContact CG2-CG1 4.47Å; T97-I101 WeakPolarHBondContact O-CG1 3.5Å; T97-I101 PolarHBondContact O-N 3.06Å; I98-I101 PolarHBondContact O-N 2.83Å; F99-I101 PolarHBondContact O-N 3.34Å; I101-F104 PolarHBondContact O-N 3.49Å; I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 2.99Å
102	S	93.5	Very high	91.9	Very high	4 Å²	4	49 Å²	49	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-40.9	-179	-52.6	0	0	0	0	111.4	I98 F99 I100 A105 E106 C132	I98-S102 WeakPolarHBondContact O-CB 3.38Å; I98-S102 PolarHBondContact O-N 2.83Å; I98-S102 PolarHBondContact O-OG 2.93Å; F99-S102 PolarHBondContact O-N 3.34Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 3.12Å; S102-A105 PolarHBondContact O-N 2.97Å; S102-E106 VanDerWaalsContact O-CB 3.27Å; S102-E106 WeakPolarHBondContact O-CB 3.43Å; S102-E106 PolarHBondContact O-N 2.94Å; S102-C132 WeakPolarHBondContact CB-O 3.34Å
103	S	92.1	Very high	92.3	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-43.2	175.9	-62.2	0	0	0	0	111.8	F99 I100 V107 V136	F99-S103 WeakPolarHBondContact O-CB 3.31Å; F99-S103 PolarHBondContact O-N 3.25Å; F99-S103 PolarHBondContact O-OG 3.4Å; I100-S103 PolarHBondContact O-N 3.24Å; S103-V107 WeakPolarHBondContact O-CG2 3.46Å; S103-V107 PolarHBondContact O-N 3.23Å; S103-V136 WeakPolarHBondContact OG-CG2 3.41Å
104	F	91.9	Very high	92.5	Very high	110 Å²	110	35.4 Å²	35.4	48%	0.482	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-44.2	177.1	-173.7	-95.1	0	0	0	112	I100 I101 T108 I196	I100-F104 WeakPolarHBondContact O-CB 3.31Å; I100-F104 PolarHBondContact O-N 2.96Å; I101-F104 PolarHBondContact O-N 3.49Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.27Å; F104-T108 PolarHBondContact O-OG1 3.48Å; F104-I196 HydrophobicContact CB-CD1 4.47Å; F104-I196 HydrophobicContact CD2-CD1 4.41Å
105	A	94.1	Very high	92.9	Very high	31 Å²	31	42.2 Å²	42.2	26%	0.256	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-46.5	176.6	0	0	0	0	0	112	I101 S102 V107 T108 L109	I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 2.99Å; S102-A105 PolarHBondContact O-N 2.97Å; A105-V107 PolarHBondContact O-N 2.92Å; A105-T108 PolarHBondContact O-N 3.06Å; A105-L109 WeakPolarHBondContact O-CB 3.47Å; A105-L109 WeakPolarHBondContact O-CD1 3.46Å; A105-L109 VanDerWaalsContact O-CG 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.27Å; A105-L109 PolarHBondContact O-N 3.42Å
106	E	95.2	Very high	93.1	Very high	44 Å²	44	42.6 Å²	42.6	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-57.4	-50.6	178.1	-176.9	175.2	-164	0	0	111.2	S102 L109 A110 C132 S133 V136	S102-E106 VanDerWaalsContact O-CB 3.27Å; S102-E106 WeakPolarHBondContact O-CB 3.43Å; S102-E106 PolarHBondContact O-N 2.94Å; E106-L109 PolarHBondContact O-N 2.9Å; E106-A110 WeakPolarHBondContact O-CB 3.35Å; E106-A110 PolarHBondContact O-N 3.25Å; E106-C132 HydrophobicContact CB-CB 3.7Å; E106-C132 HydrophobicContact CG-CB 4.47Å; E106-S133 WeakPolarHBondContact OE1-CB 3.43Å; E106-S133 PolarHBondContact OE1-OG 3.11Å; E106-V136 WeakPolarHBondContact OE2-CG2 3.37Å
107	V	93.3	Very high	93.2	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-37.7	-177.9	177.2	0	0	0	0	111.9	S103 A105 A110 C111 S189 L193 I196	S103-V107 WeakPolarHBondContact O-CG2 3.46Å; S103-V107 PolarHBondContact O-N 3.23Å; A105-V107 PolarHBondContact O-N 2.92Å; V107-A110 PolarHBondContact O-N 3.05Å; V107-C111 WeakPolarHBondContact O-CB 3.49Å; V107-C111 PolarHBondContact O-N 3.49Å; V107-C111 PolarHBondContact O-SG 3.43Å; V107-C111 VanDerWaalsContact O-SG 3.35Å; V107-S189 VanDerWaalsContact CG1-O 3.27Å; V107-S189 WeakPolarHBondContact CG1-O 3.35Å; V107-L193 HydrophobicContact CB-CD2 4.22Å; V107-L193 HydrophobicContact CG1-CB 4.38Å; V107-L193 HydrophobicContact CG1-CD2 3.33Å; V107-L193 HydrophobicContact CG1-CG 3.43Å; V107-L193 VanDerWaalsContact CG1-CG 3.43Å; V107-I196 HydrophobicContact CB-CD1 4.07Å; V107-I196 HydrophobicContact CG2-CD1 3.96Å; V107-I196 HydrophobicContact CG2-CG1 4.48Å
108	T	93.2	Very high	93.4	Very high	70 Å²	70	45.3 Å²	45.3	43%	0.429	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-45.8	175.9	-57.4	0	0	0	0	111.3	F104 A105 C111 S112	F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.27Å; F104-T108 PolarHBondContact O-OG1 3.48Å; A105-T108 PolarHBondContact O-N 3.06Å; T108-C111 PolarHBondContact O-N 3.46Å; T108-S112 PolarHBondContact O-N 2.93Å; T108-S112 VanDerWaalsContact O-N 3.16Å
109	L	96.1	Very high	93.5	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-44.1	176.1	-71	167.6	0	0	0	111	A105 E106 C111 S112 L113 V125 A128 T129	A105-L109 WeakPolarHBondContact O-CB 3.47Å; A105-L109 WeakPolarHBondContact O-CD1 3.46Å; A105-L109 VanDerWaalsContact O-CG 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.27Å; A105-L109 PolarHBondContact O-N 3.42Å; E106-L109 PolarHBondContact O-N 2.9Å; L109-C111 PolarHBondContact O-N 3.1Å; L109-S112 WeakPolarHBondContact O-CB 3.09Å; L109-S112 PolarHBondContact O-N 3.29Å; L109-S112 VanDerWaalsContact O-N 3.09Å; L109-S112 PolarHBondContact O-OG 3.16Å; L109-L113 PolarHBondContact O-N 3.12Å; L109-V125 HydrophobicContact CB-CG1 4.2Å; L109-V125 WeakPolarHBondContact O-CG1 3.32Å; L109-A128 HydrophobicContact CD1-CB 3.71Å; L109-A128 HydrophobicContact CD2-CB 4.38Å; L109-T129 HydrophobicContact CB-CG2 3.51Å
110	A	95.8	Very high	93.8	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-39.1	178.3	0	0	0	0	0	112.9	E106 V107 S112 L113 T129 Q185 S189	E106-A110 WeakPolarHBondContact O-CB 3.35Å; E106-A110 PolarHBondContact O-N 3.25Å; V107-A110 PolarHBondContact O-N 3.05Å; A110-S112 VanDerWaalsContact C-N 3.27Å; A110-S112 PolarHBondContact O-N 3.01Å; A110-L113 WeakPolarHBondContact O-CB 3.19Å; A110-L113 PolarHBondContact O-N 3.22Å; A110-T129 HydrophobicContact CB-CG2 4.42Å; A110-Q185 PolarHBondContact O-NE2 2.87Å; A110-S189 WeakPolarHBondContact CB-OG 3.45Å; A110-S189 PolarHBondContact O-OG 2.94Å
111	C	94.6	Very high	94.1	Very high	27 Å²	27	52.5 Å²	52.5	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-28.1	172.9	-79.7	0	0	0	0	112.7	V107 T108 L109 P114 F115 S189	V107-C111 WeakPolarHBondContact O-CB 3.49Å; V107-C111 PolarHBondContact O-N 3.49Å; V107-C111 PolarHBondContact O-SG 3.43Å; V107-C111 VanDerWaalsContact O-SG 3.35Å; T108-C111 PolarHBondContact O-N 3.46Å; L109-C111 PolarHBondContact O-N 3.1Å; C111-P114 WeakPolarHBondContact O-CD 3.38Å; C111-F115 WeakPolarHBondContact O-CD2 3.39Å; C111-F115 VanDerWaalsContact O-CE2 3.27Å; C111-F115 WeakPolarHBondContact O-CE2 3.37Å; C111-S189 WeakPolarHBondContact SG-CB 3.4Å
112	S	94.8	Very high	94.3	Very high	41 Å²	41	47.7 Å²	47.7	29%	0.287	26%	0.255	S	S	.	.	H	α-helix	trans	-75.9	-27.5	-180	78.6	0	0	0	0	113.1	T108 L109 A110 P114 F115	T108-S112 PolarHBondContact O-N 2.93Å; T108-S112 VanDerWaalsContact O-N 3.16Å; L109-S112 WeakPolarHBondContact O-CB 3.09Å; L109-S112 PolarHBondContact O-N 3.29Å; L109-S112 VanDerWaalsContact O-N 3.09Å; L109-S112 PolarHBondContact O-OG 3.16Å; A110-S112 VanDerWaalsContact C-N 3.27Å; A110-S112 PolarHBondContact O-N 3.01Å; S112-P114 VanDerWaalsContact C-CD 3.44Å; S112-F115 PolarHBondContact O-N 3.35Å
113	L	94.5	Very high	94.4	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.6	-41.9	-171.4	-160.2	72.3	0	0	0	114.9	L109 A110 F115 V116 V122 V125 E126 W181 Q185	L109-L113 PolarHBondContact O-N 3.12Å; A110-L113 WeakPolarHBondContact O-CB 3.19Å; A110-L113 PolarHBondContact O-N 3.22Å; L113-F115 PolarHBondContact O-N 3.32Å; L113-V116 PolarHBondContact O-N 3Å; L113-V122 HydrophobicContact CD1-CB 4.33Å; L113-V122 HydrophobicContact CD1-CG1 4Å; L113-V122 HydrophobicContact CD1-CG2 4.33Å; L113-V125 HydrophobicContact CD1-CB 3.8Å; L113-V125 HydrophobicContact CD1-CG1 3.64Å; L113-E126 HydrophobicContact CD1-CG 4.22Å; L113-E126 HydrophobicContact CD2-CG 4.45Å; L113-E126 WeakPolarHBondContact CD2-OE1 3.28Å; L113-W181 HydrophobicContact CD2-CZ3 4.4Å; L113-W181 HydrophobicContact CG-CZ3 4.37Å; L113-Q185 HydrophobicContact CB-CG 4.14Å; L113-Q185 HydrophobicContact CD2-CG 4.11Å
114	P	94.2	Very high	94.7	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.045	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.6	177.6	-27.2	38.6	0	0	0	115	C111 S112 K182 Q185 L186	C111-P114 WeakPolarHBondContact O-CD 3.38Å; S112-P114 VanDerWaalsContact C-CD 3.44Å; P114-K182 HydrophobicContact CB-CB 3.91Å; P114-K182 HydrophobicContact CB-CD 4.5Å; P114-K182 HydrophobicContact CB-CG 4.18Å; P114-K182 WeakPolarHBondContact O-CD 3.48Å; P114-K182 VanDerWaalsContact O-CE 3.24Å; P114-K182 WeakPolarHBondContact O-CE 3.2Å; P114-K182 PolarHBondContact O-NZ 3.5Å; P114-Q185 HydrophobicContact CG-CB 4.08Å; P114-Q185 HydrophobicContact CG-CG 3.93Å; P114-L186 HydrophobicContact CG-CB 4.18Å
115	F	94.5	Very high	94.9	Very high	144 Å²	144	49.6 Å²	49.6	63%	0.632	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-91.5	-10.7	-175.9	-53.9	-74.1	0	0	0	112.7	C111 S112 L113	C111-F115 WeakPolarHBondContact O-CD2 3.39Å; C111-F115 VanDerWaalsContact O-CE2 3.27Å; C111-F115 WeakPolarHBondContact O-CE2 3.37Å; S112-F115 PolarHBondContact O-N 3.35Å; L113-F115 PolarHBondContact O-N 3.32Å
116	V	94.5	Very high	95	Very high	26 Å²	26	49.9 Å²	49.9	16%	0.158	26%	0.261	C	S	.	.			trans	-76.6	131.9	176.6	-174	0	0	0	0	109.1	Y58 L113 S118 A121 V122	Y58-V116 PolarHBondContact OH-O 2.73Å; L113-V116 PolarHBondContact O-N 3Å; V116-S118 WeakPolarHBondContact CG1-O 3.48Å; V116-A121 HydrophobicContact CG1-CB 3.37Å; V116-V122 HydrophobicContact CB-CG2 3.85Å; V116-V122 HydrophobicContact CG1-CG2 3.68Å
117	N	91.7	Very high	95.1	Very high	120 Å²	120	49.9 Å²	49.9	64%	0.642	26%	0.26	S	S	*	.			trans	-114.8	6.7	179.6	-63.3	-48.2	0	0	0	113.2	M57 Y58	M57-N117 VanDerWaalsContact CE-OD1 3.31Å; M57-N117 WeakPolarHBondContact CE-OD1 3.33Å; Y58-N117 WeakPolarHBondContact CE1-O 3.28Å
118	S	94.1	Very high	95.3	Very high	56 Å²	56	50 Å²	50	39%	0.392	26%	0.263	S	S	.	.			trans	-115.7	128.3	175.1	172.2	0	0	0	0	109.8	V116 Y120 A121 V122	V116-S118 WeakPolarHBondContact CG1-O 3.48Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.04Å; S118-A121 PolarHBondContact O-N 3.47Å; S118-A121 VanDerWaalsContact O-N 3.16Å; S118-V122 PolarHBondContact O-N 2.84Å
119	Y	93.9	Very high	95.5	Very high	19 Å²	19	47.1 Å²	47.1	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-43	177	169	-90.2	0	0	0	112.1	L60 M67 I71 A121 V122 A123	L60-Y119 HydrophobicContact CD1-CD2 4.08Å; L60-Y119 HydrophobicContact CD1-CE2 4.01Å; L60-Y119 HydrophobicContact CD2-CD2 3.73Å; L60-Y119 HydrophobicContact CD2-CE2 3.99Å; L60-Y119 HydrophobicContact CD2-CG 4.46Å; M67-Y119 WeakPolarHBondContact CA-OH 3.37Å; M67-Y119 HydrophobicContact CB-CE1 4.26Å; M67-Y119 HydrophobicContact CB-CE2 3.72Å; M67-Y119 WeakPolarHBondContact CB-OH 3.24Å; M67-Y119 HydrophobicContact CG-CE1 4.34Å; M67-Y119 PolarHBondContact O-OH 2.88Å; M67-Y119 HydrophobicContact SD-CD1 4.41Å; M67-Y119 HydrophobicContact SD-CE1 4.2Å; I71-Y119 HydrophobicContact CD1-CD2 3.92Å; I71-Y119 HydrophobicContact CD1-CE2 3.26Å; I71-Y119 HydrophobicContact CG1-CE2 3.78Å; Y119-A121 VanDerWaalsContact C-N 3.32Å; Y119-A121 PolarHBondContact O-N 3.01Å; Y119-V122 WeakPolarHBondContact O-CB 3.47Å; Y119-V122 PolarHBondContact O-N 3.09Å; Y119-A123 HydrophobicContact CE1-CB 4.42Å; Y119-A123 WeakPolarHBondContact O-CB 3.08Å; Y119-A123 PolarHBondContact O-N 2.84Å
120	Y	95.8	Very high	95.5	Very high	174 Å²	174	44.9 Å²	44.9	68%	0.682	23%	0.233	S	C	*	.	H	α-helix	trans	-66.6	-35.8	-179	-61.6	-66.6	0	0	0	112.3	S118 A123 F124	S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.04Å; Y120-A123 PolarHBondContact O-N 3.22Å; Y120-F124 PolarHBondContact O-N 3.35Å
121	A	96.4	Very high	95.5	Very high	40 Å²	40	46.1 Å²	46.1	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-69	-40	174	0	0	0	0	0	111.2	V116 S118 Y119 A123 F124 V125	V116-A121 HydrophobicContact CG1-CB 3.37Å; S118-A121 PolarHBondContact O-N 3.47Å; S118-A121 VanDerWaalsContact O-N 3.16Å; Y119-A121 VanDerWaalsContact C-N 3.32Å; Y119-A121 PolarHBondContact O-N 3.01Å; A121-A123 PolarHBondContact O-N 3.42Å; A121-F124 PolarHBondContact O-N 3.41Å; A121-V125 VanDerWaalsContact O-CG2 3.3Å; A121-V125 WeakPolarHBondContact O-CG2 3.23Å; A121-V125 PolarHBondContact O-N 3.43Å
122	V	96	Very high	95.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-48.5	171.6	166.2	0	0	0	0	110.5	M54 Y58 I71 L113 V116 S118 Y119 F124 V125 E126	M54-V122 HydrophobicContact SD-CG1 3.61Å; Y58-V122 HydrophobicContact CE2-CG2 4.06Å; Y58-V122 VanDerWaalsContact OH-CG2 3.27Å; Y58-V122 WeakPolarHBondContact OH-CG2 3.35Å; I71-V122 HydrophobicContact CD1-CG1 4.12Å; L113-V122 HydrophobicContact CD1-CB 4.33Å; L113-V122 HydrophobicContact CD1-CG1 4Å; L113-V122 HydrophobicContact CD1-CG2 4.33Å; V116-V122 HydrophobicContact CB-CG2 3.85Å; V116-V122 HydrophobicContact CG1-CG2 3.68Å; S118-V122 PolarHBondContact O-N 2.84Å; Y119-V122 WeakPolarHBondContact O-CB 3.47Å; Y119-V122 PolarHBondContact O-N 3.09Å; V122-F124 VanDerWaalsContact C-N 3.3Å; V122-F124 PolarHBondContact O-N 2.98Å; V122-V125 PolarHBondContact O-N 3.17Å; V122-E126 HydrophobicContact CG1-CG 4.33Å; V122-E126 WeakPolarHBondContact O-CB 3.27Å; V122-E126 VanDerWaalsContact O-CG 3.29Å; V122-E126 WeakPolarHBondContact O-CG 3.33Å; V122-E126 PolarHBondContact O-N 3.4Å
123	A	96.8	Very high	95.5	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-38.8	179.3	0	0	0	0	0	112.5	I71 L74 Y119 Y120 A121 F127	I71-A123 HydrophobicContact CG1-CB 4.22Å; L74-A123 HydrophobicContact CD1-CB 3.83Å; Y119-A123 HydrophobicContact CE1-CB 4.42Å; Y119-A123 WeakPolarHBondContact O-CB 3.08Å; Y119-A123 PolarHBondContact O-N 2.84Å; Y120-A123 PolarHBondContact O-N 3.22Å; A121-A123 PolarHBondContact O-N 3.42Å; A123-F127 WeakPolarHBondContact O-CB 3.27Å; A123-F127 PolarHBondContact O-N 2.92Å
124	F	97.3	Very high	95.2	Very high	141 Å²	141	44.7 Å²	44.7	62%	0.618	23%	0.228	S	C	*	.	H	α-helix	trans	-68.6	-43.4	174.8	-179.9	-99.8	0	0	0	112.5	Y120 A121 V122 E126 F127 A128	Y120-F124 PolarHBondContact O-N 3.35Å; A121-F124 PolarHBondContact O-N 3.41Å; V122-F124 VanDerWaalsContact C-N 3.3Å; V122-F124 PolarHBondContact O-N 2.98Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.07Å; F124-F127 WeakPolarHBondContact O-CB 3.48Å; F124-F127 PolarHBondContact O-N 2.86Å; F124-A128 WeakPolarHBondContact O-CB 3.48Å; F124-A128 PolarHBondContact O-N 3.07Å
125	V	97.1	Very high	94.8	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-41.6	176.4	175	0	0	0	0	110.4	L109 L113 A121 V122 A128 T129	L109-V125 HydrophobicContact CB-CG1 4.2Å; L109-V125 WeakPolarHBondContact O-CG1 3.32Å; L113-V125 HydrophobicContact CD1-CB 3.8Å; L113-V125 HydrophobicContact CD1-CG1 3.64Å; A121-V125 VanDerWaalsContact O-CG2 3.3Å; A121-V125 WeakPolarHBondContact O-CG2 3.23Å; A121-V125 PolarHBondContact O-N 3.43Å; V122-V125 PolarHBondContact O-N 3.17Å; V125-A128 CarbonylContact O-C 3.6Å; V125-A128 PolarHBondContact O-N 3.42Å; V125-A128 VanDerWaalsContact O-N 3.16Å; V125-T129 HydrophobicContact CG1-CG2 4.29Å; V125-T129 WeakPolarHBondContact O-CG2 3.21Å; V125-T129 PolarHBondContact O-N 2.93Å; V125-T129 PolarHBondContact O-OG1 3.16Å
126	E	96.4	Very high	94.6	Very high	37 Å²	37	38.8 Å²	38.8	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-39.9	175.3	-72.1	-77.9	-161.9	0	0	112.8	I71 L113 V122 F124 A128 T129 G130	I71-E126 HydrophobicContact CG2-CB 4.07Å; I71-E126 HydrophobicContact CG2-CG 3.84Å; L113-E126 HydrophobicContact CD1-CG 4.22Å; L113-E126 HydrophobicContact CD2-CG 4.45Å; L113-E126 WeakPolarHBondContact CD2-OE1 3.28Å; V122-E126 HydrophobicContact CG1-CG 4.33Å; V122-E126 WeakPolarHBondContact O-CB 3.27Å; V122-E126 VanDerWaalsContact O-CG 3.29Å; V122-E126 WeakPolarHBondContact O-CG 3.33Å; V122-E126 PolarHBondContact O-N 3.4Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.07Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-T129 WeakPolarHBondContact CA-OG1 3.3Å; E126-T129 PolarHBondContact O-OG1 3.4Å; E126-G130 PolarHBondContact O-N 2.74Å
127	F	97.3	Very high	94.3	Very high	43 Å²	43	40 Å²	40	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-44.6	170.6	165.2	-99.2	0	0	0	111.5	L74 F77 G78 L81 A123 F124 G130 L131	L74-F127 HydrophobicContact CB-CB 4.48Å; F77-F127 AromaticContact CD1-CD2 3.91Å; F77-F127 HydrophobicContact CD1-CD2 3.91Å; F77-F127 AromaticContact CD1-CE2 3.48Å; F77-F127 HydrophobicContact CD1-CE2 3.48Å; F77-F127 VanDerWaalsContact CD1-CE2 3.48Å; F77-F127 AromaticContact CE1-CE2 3.86Å; F77-F127 HydrophobicContact CE1-CE2 3.86Å; F77-F127 HydrophobicContact CG-CE2 4.47Å; G78-F127 WeakPolarHBondContact CA-O 3.31Å; L81-F127 HydrophobicContact CD2-CE2 4.46Å; L81-F127 HydrophobicContact CD2-CZ 3.85Å; A123-F127 WeakPolarHBondContact O-CB 3.27Å; A123-F127 PolarHBondContact O-N 2.92Å; F124-F127 WeakPolarHBondContact O-CB 3.48Å; F124-F127 PolarHBondContact O-N 2.86Å; F127-G130 PolarHBondContact O-N 3.29Å; F127-L131 PolarHBondContact O-N 3.44Å
128	A	97.7	Very high	93.9	Very high	18 Å²	18	37 Å²	37	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-39.6	-179.7	0	0	0	0	0	112.6	L109 F124 V125 E126 L131 C132	L109-A128 HydrophobicContact CD1-CB 3.71Å; L109-A128 HydrophobicContact CD2-CB 4.38Å; F124-A128 WeakPolarHBondContact O-CB 3.48Å; F124-A128 PolarHBondContact O-N 3.07Å; V125-A128 CarbonylContact O-C 3.6Å; V125-A128 PolarHBondContact O-N 3.42Å; V125-A128 VanDerWaalsContact O-N 3.16Å; E126-A128 VanDerWaalsContact C-N 3.33Å; A128-L131 WeakPolarHBondContact O-CB 3.49Å; A128-L131 PolarHBondContact O-N 2.92Å; A128-C132 PolarHBondContact O-N 2.8Å; A128-C132 PolarHBondContact O-SG 2.79Å; A128-C132 VanDerWaalsContact O-SG 3.39Å
129	T	96.3	Very high	93.6	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-43.3	173.3	55.4	0	0	0	0	110.6	L109 A110 V125 E126 L131 C132 S133	L109-T129 HydrophobicContact CB-CG2 3.51Å; A110-T129 HydrophobicContact CB-CG2 4.42Å; V125-T129 HydrophobicContact CG1-CG2 4.29Å; V125-T129 WeakPolarHBondContact O-CG2 3.21Å; V125-T129 PolarHBondContact O-N 2.93Å; V125-T129 PolarHBondContact O-OG1 3.16Å; E126-T129 WeakPolarHBondContact CA-OG1 3.3Å; E126-T129 PolarHBondContact O-OG1 3.4Å; T129-L131 VanDerWaalsContact C-N 3.31Å; T129-L131 PolarHBondContact O-N 3.31Å; T129-C132 PolarHBondContact O-N 2.71Å; T129-S133 WeakPolarHBondContact O-CB 3.05Å; T129-S133 PolarHBondContact O-N 3.4Å
130	G	96	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-42.2	174	0	0	0	0	0	112.7	V79 E126 F127 S133 A134	V79-G130 WeakPolarHBondContact CA-O 3.47Å; V79-G130 VanDerWaalsContact CG2-O 3.29Å; V79-G130 WeakPolarHBondContact CG2-O 3.38Å; V79-G130 PolarHBondContact N-O 3.35Å; E126-G130 PolarHBondContact O-N 2.74Å; F127-G130 PolarHBondContact O-N 3.29Å; G130-S133 PolarHBondContact O-N 3.37Å; G130-A134 PolarHBondContact O-N 3.26Å
131	L	95.8	Very high	92.6	Very high	39 Å²	39	29.5 Å²	29.5	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-48.2	174.9	-176.5	149.1	0	0	0	111.9	G78 L81 L86 F127 A128 T129 A134	G78-L131 VanDerWaalsContact O-CA 3.27Å; G78-L131 WeakPolarHBondContact O-CA 3.43Å; L81-L131 HydrophobicContact CD2-CD1 4.13Å; L81-L131 HydrophobicContact CG-CD1 4.3Å; L86-L131 HydrophobicContact CD1-CD2 3.96Å; L86-L131 VanDerWaalsContact CD1-O 3.27Å; L86-L131 WeakPolarHBondContact CD1-O 3.43Å; L86-L131 HydrophobicContact CG-CD2 4.27Å; F127-L131 PolarHBondContact O-N 3.44Å; A128-L131 WeakPolarHBondContact O-CB 3.49Å; A128-L131 PolarHBondContact O-N 2.92Å; T129-L131 VanDerWaalsContact C-N 3.31Å; T129-L131 PolarHBondContact O-N 3.31Å; L131-A134 PolarHBondContact O-N 3.41Å
132	C	95.8	Very high	92	Very high	13 Å²	13	29.4 Å²	29.4	9%	0.088	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-39.6	178	-64.3	0	0	0	0	112.4	S102 E106 A128 T129 A134 G135 V136	S102-C132 WeakPolarHBondContact CB-O 3.34Å; E106-C132 HydrophobicContact CB-CB 3.7Å; E106-C132 HydrophobicContact CG-CB 4.47Å; A128-C132 PolarHBondContact O-N 2.8Å; A128-C132 PolarHBondContact O-SG 2.79Å; A128-C132 VanDerWaalsContact O-SG 3.39Å; T129-C132 PolarHBondContact O-N 2.71Å; C132-A134 VanDerWaalsContact C-N 3.26Å; C132-A134 PolarHBondContact O-N 3.07Å; C132-G135 WeakPolarHBondContact O-CA 3.38Å; C132-G135 PolarHBondContact O-N 3.05Å; C132-V136 PolarHBondContact O-N 2.95Å; C132-V136 VanDerWaalsContact O-N 3.12Å
133	S	92.9	Very high	91.6	Very high	25 Å²	25	30 Å²	30	18%	0.175	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-37.6	-179.9	-156.2	0	0	0	0	112.4	E106 T129 G130 G135 V136 F137	E106-S133 WeakPolarHBondContact OE1-CB 3.43Å; E106-S133 PolarHBondContact OE1-OG 3.11Å; T129-S133 WeakPolarHBondContact O-CB 3.05Å; T129-S133 PolarHBondContact O-N 3.4Å; G130-S133 PolarHBondContact O-N 3.37Å; S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 3.03Å; S133-V136 PolarHBondContact O-N 3.33Å; S133-F137 PolarHBondContact O-N 2.84Å
134	A	89.2	Confident	91	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-39.8	173.8	0	0	0	0	0	112.7	V79 G130 L131 C132 V136 M138	V79-A134 HydrophobicContact CG1-CB 4.09Å; V79-A134 VanDerWaalsContact O-CB 3.29Å; V79-A134 WeakPolarHBondContact O-CB 3.44Å; G130-A134 PolarHBondContact O-N 3.26Å; L131-A134 PolarHBondContact O-N 3.41Å; C132-A134 VanDerWaalsContact C-N 3.26Å; C132-A134 PolarHBondContact O-N 3.07Å; A134-V136 VanDerWaalsContact C-N 3.35Å; A134-M138 WeakPolarHBondContact O-CB 3.48Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.43Å
135	G	86.4	Confident	90.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-39.6	176.3	0	0	0	0	0	112.5	C132 S133 A139	C132-G135 WeakPolarHBondContact O-CA 3.38Å; C132-G135 PolarHBondContact O-N 3.05Å; S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 3.03Å; G135-A139 WeakPolarHBondContact O-CB 3.39Å; G135-A139 PolarHBondContact O-N 3.06Å
136	V	90.6	Very high	89.5	Confident	26 Å²	26	28.2 Å²	28.2	16%	0.158	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-55.4	175.7	179.6	0	0	0	0	110.7	F99 S103 E106 C132 S133 A134 A140	F99-V136 HydrophobicContact CD2-CG1 4.06Å; F99-V136 WeakPolarHBondContact CD2-O 3.17Å; F99-V136 HydrophobicContact CE2-CB 4.45Å; F99-V136 HydrophobicContact CE2-CG1 3.51Å; F99-V136 HydrophobicContact CZ-CG1 4.21Å; S103-V136 WeakPolarHBondContact OG-CG2 3.41Å; E106-V136 WeakPolarHBondContact OE2-CG2 3.37Å; C132-V136 PolarHBondContact O-N 2.95Å; C132-V136 VanDerWaalsContact O-N 3.12Å; S133-V136 PolarHBondContact O-N 3.33Å; A134-V136 VanDerWaalsContact C-N 3.35Å; V136-A140 VanDerWaalsContact O-CB 3.26Å; V136-A140 WeakPolarHBondContact O-CB 3.44Å; V136-A140 PolarHBondContact O-N 3.2Å
137	F	87.2	Confident	88.9	Confident	53 Å²	53	30.1 Å²	30.1	23%	0.232	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-45.6	-175.4	-175.7	-98.8	0	0	0	112.5	S133 A140 F141 L160	S133-F137 PolarHBondContact O-N 2.84Å; F137-A140 PolarHBondContact O-N 3.18Å; F137-F141 VanDerWaalsContact O-CB 3.29Å; F137-F141 WeakPolarHBondContact O-CB 3.4Å; F137-F141 PolarHBondContact O-N 3.42Å; F137-L160 HydrophobicContact CE2-CD2 4.23Å; F137-L160 HydrophobicContact CZ-CD2 4.5Å
138	M	84.2	Confident	88.3	Confident	55 Å²	55	31.8 Å²	31.8	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-65.9	-46.8	-178.8	-70.7	-67.6	-66.2	0	0	111.8	A134 A140 F141 I142	A134-M138 WeakPolarHBondContact O-CB 3.48Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.43Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 2.94Å; M138-F141 PolarHBondContact O-N 3.47Å; M138-I142 VanDerWaalsContact O-CG1 3.27Å; M138-I142 WeakPolarHBondContact O-CG1 3.27Å; M138-I142 PolarHBondContact O-N 3.37Å
139	A	86.5	Confident	87.2	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-42.4	179.4	0	0	0	0	0	111.4	R95 F99 G135 I143	R95-A139 HydrophobicContact CB-CB 4.41Å; F99-A139 HydrophobicContact CB-CB 3.86Å; F99-A139 HydrophobicContact CD2-CB 4.34Å; G135-A139 WeakPolarHBondContact O-CB 3.39Å; G135-A139 PolarHBondContact O-N 3.06Å; A139-I143 WeakPolarHBondContact O-CB 3.2Å; A139-I143 WeakPolarHBondContact O-CD1 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.39Å
140	A	86.5	Confident	86.4	Confident	18 Å²	18	38.7 Å²	38.7	15%	0.149	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-48.9	175.5	0	0	0	0	0	112	F99 V136 F137 M138 I142 I143 V144 L160	F99-A140 HydrophobicContact CD2-CB 4.04Å; F99-A140 HydrophobicContact CE2-CB 3.73Å; V136-A140 VanDerWaalsContact O-CB 3.26Å; V136-A140 WeakPolarHBondContact O-CB 3.44Å; V136-A140 PolarHBondContact O-N 3.2Å; F137-A140 PolarHBondContact O-N 3.18Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 2.94Å; A140-I142 VanDerWaalsContact C-N 3.34Å; A140-I142 PolarHBondContact O-N 3.06Å; A140-I143 PolarHBondContact O-N 3.22Å; A140-V144 VanDerWaalsContact O-CG2 3.31Å; A140-V144 WeakPolarHBondContact O-CG2 3.2Å; A140-V144 PolarHBondContact O-N 3.12Å; A140-L160 HydrophobicContact CB-CD1 4.47Å
141	F	83.3	Confident	85.4	Confident	72 Å²	72	43.8 Å²	43.8	32%	0.316	25%	0.246	S	C	.	.	H	α-helix	trans	-56.3	-49	179.8	178.2	-99.9	0	0	0	111.4	F137 M138 V144 M145 L160	F137-F141 VanDerWaalsContact O-CB 3.29Å; F137-F141 WeakPolarHBondContact O-CB 3.4Å; F137-F141 PolarHBondContact O-N 3.42Å; M138-F141 PolarHBondContact O-N 3.47Å; F141-V144 PolarHBondContact O-N 2.99Å; F141-M145 HydrophobicContact CD1-CG 4.2Å; F141-M145 HydrophobicContact CD2-CG 4.13Å; F141-M145 HydrophobicContact CE1-CG 3.88Å; F141-M145 HydrophobicContact CE2-CG 3.8Å; F141-M145 HydrophobicContact CE2-SD 4.17Å; F141-M145 HydrophobicContact CG-CG 4.33Å; F141-M145 HydrophobicContact CZ-CE 4.08Å; F141-M145 HydrophobicContact CZ-CG 3.68Å; F141-M145 HydrophobicContact CZ-SD 4.23Å; F141-M145 WeakPolarHBondContact O-CB 3.48Å; F141-M145 WeakPolarHBondContact O-CG 3.48Å; F141-M145 PolarHBondContact O-N 3.36Å; F141-L160 HydrophobicContact CB-CD2 3.79Å; F141-L160 HydrophobicContact CD2-CD2 3.66Å; F141-L160 HydrophobicContact CG-CD2 4.23Å
142	I	83.7	Confident	84.7	Confident	38 Å²	38	43.9 Å²	43.9	20%	0.195	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-41	-176.5	-52.9	162.4	0	0	0	111.3	M138 A140 V144 M145 E146	M138-I142 VanDerWaalsContact O-CG1 3.27Å; M138-I142 WeakPolarHBondContact O-CG1 3.27Å; M138-I142 PolarHBondContact O-N 3.37Å; A140-I142 VanDerWaalsContact C-N 3.34Å; A140-I142 PolarHBondContact O-N 3.06Å; I142-V144 VanDerWaalsContact C-N 3.29Å; I142-V144 PolarHBondContact O-N 2.97Å; I142-M145 PolarHBondContact O-N 3.27Å; I142-E146 HydrophobicContact CG2-CG 4.13Å; I142-E146 WeakPolarHBondContact O-CB 3.39Å; I142-E146 WeakPolarHBondContact O-CG 3.34Å; I142-E146 PolarHBondContact O-N 3.38Å
143	I	86.4	Confident	84	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.062	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-44.4	176.6	-70.2	166.7	0	0	0	110.7	R95 A139 A140 L147 M209	R95-I143 HydrophobicContact CB-CD1 3.84Å; R95-I143 HydrophobicContact CB-CG1 3.84Å; A139-I143 WeakPolarHBondContact O-CB 3.2Å; A139-I143 WeakPolarHBondContact O-CD1 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.39Å; A140-I143 PolarHBondContact O-N 3.22Å; I143-L147 WeakPolarHBondContact O-CB 3.19Å; I143-L147 PolarHBondContact O-N 3.36Å; I143-M209 HydrophobicContact CD1-CE 3.98Å
144	V	84.6	Confident	83.1	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-49.9	177.6	171.9	0	0	0	0	110.3	A140 F141 I142 E146 L147 F148 A156	A140-V144 VanDerWaalsContact O-CG2 3.31Å; A140-V144 WeakPolarHBondContact O-CG2 3.2Å; A140-V144 PolarHBondContact O-N 3.12Å; F141-V144 PolarHBondContact O-N 2.99Å; I142-V144 VanDerWaalsContact C-N 3.29Å; I142-V144 PolarHBondContact O-N 2.97Å; V144-E146 VanDerWaalsContact C-N 3.27Å; V144-E146 PolarHBondContact O-N 3.41Å; V144-L147 PolarHBondContact O-N 3.04Å; V144-L147 VanDerWaalsContact O-N 3.12Å; V144-F148 HydrophobicContact CG1-CD2 4.22Å; V144-F148 HydrophobicContact CG1-CE2 4.28Å; V144-F148 VanDerWaalsContact O-CD2 3.24Å; V144-F148 WeakPolarHBondContact O-CD2 3.44Å; V144-F148 PolarHBondContact O-N 3.37Å; V144-A156 HydrophobicContact CG1-CB 3.63Å
145	M	80	Confident	82.6	Confident	47 Å²	47	55.8 Å²	55.8	23%	0.232	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-29.5	-175.5	-68.5	-63.9	-81	0	0	113.6	F141 I142 R153	F141-M145 HydrophobicContact CD1-CG 4.2Å; F141-M145 HydrophobicContact CD2-CG 4.13Å; F141-M145 HydrophobicContact CE1-CG 3.88Å; F141-M145 HydrophobicContact CE2-CG 3.8Å; F141-M145 HydrophobicContact CE2-SD 4.17Å; F141-M145 HydrophobicContact CG-CG 4.33Å; F141-M145 HydrophobicContact CZ-CE 4.08Å; F141-M145 HydrophobicContact CZ-CG 3.68Å; F141-M145 HydrophobicContact CZ-SD 4.23Å; F141-M145 WeakPolarHBondContact O-CB 3.48Å; F141-M145 WeakPolarHBondContact O-CG 3.48Å; F141-M145 PolarHBondContact O-N 3.36Å; I142-M145 PolarHBondContact O-N 3.27Å; M145-R153 HydrophobicContact CE-CG 3.41Å; M145-R153 VanDerWaalsContact CE-CG 3.41Å; M145-R153 PolarHBondContact O-NE 3.41Å; M145-R153 PolarHBondContact O-NH2 3.07Å; M145-R153 HydrophobicContact SD-CG 3.52Å; M145-R153 VanDerWaalsContact SD-CG 3.52Å
146	E	83.7	Confident	82.4	Confident	43 Å²	43	56.5 Å²	56.5	20%	0.201	31%	0.314	C	S	.	.	H	α-helix	trans	-84.7	-17.6	176.1	-72.2	-176.5	166.1	0	0	114.3	R95 I142 V144 F148 S212 T214	R95-E146 IonicContact CZ-OE1 2.76Å; R95-E146 IonicContact CZ-OE2 3.41Å; R95-E146 IonicContact NH1-OE1 2.87Å; R95-E146 PolarHBondContact NH1-OE1 2.88Å; R95-E146 IonicContact NH1-OE2 3Å; R95-E146 PolarHBondContact NH1-OE2 3.05Å; R95-E146 IonicContact NH2-OE1 2.74Å; I142-E146 HydrophobicContact CG2-CG 4.13Å; I142-E146 WeakPolarHBondContact O-CB 3.39Å; I142-E146 WeakPolarHBondContact O-CG 3.34Å; I142-E146 PolarHBondContact O-N 3.38Å; V144-E146 VanDerWaalsContact C-N 3.27Å; V144-E146 PolarHBondContact O-N 3.41Å; E146-F148 VanDerWaalsContact C-N 3.32Å; E146-S212 WeakPolarHBondContact OE2-CB 3.23Å; E146-S212 PolarHBondContact OE2-OG 3.12Å; E146-T214 PolarHBondContact OE1-OG1 3.39Å
147	L	84	Confident	81.7	Confident	77 Å²	77	56 Å²	56	40%	0.403	31%	0.314	S	S	.	.	H	α-helix	trans	-77.1	-25	176.1	-171.7	63.9	0	0	0	111.9	I143 V144 P210 I232	I143-L147 WeakPolarHBondContact O-CB 3.19Å; I143-L147 PolarHBondContact O-N 3.36Å; V144-L147 PolarHBondContact O-N 3.04Å; V144-L147 VanDerWaalsContact O-N 3.12Å; L147-P210 HydrophobicContact CD1-CG 4.49Å; L147-I232 HydrophobicContact CD1-CD1 3.88Å
148	F	83	Confident	81.3	Confident	79 Å²	79	56.4 Å²	56.4	35%	0.346	32%	0.318	S	S	.	.			trans	-115	141.1	-176.7	-62.5	-79.2	0	0	0	111.8	V144 E146 A152 R153 A156	V144-F148 HydrophobicContact CG1-CD2 4.22Å; V144-F148 HydrophobicContact CG1-CE2 4.28Å; V144-F148 VanDerWaalsContact O-CD2 3.24Å; V144-F148 WeakPolarHBondContact O-CD2 3.44Å; V144-F148 PolarHBondContact O-N 3.37Å; E146-F148 VanDerWaalsContact C-N 3.32Å; F148-A152 HydrophobicContact CB-CB 4.38Å; F148-A152 HydrophobicContact CD1-CB 4.11Å; F148-R153 HydrophobicContact CB-CB 4.2Å; F148-R153 PolarHBondContact O-NE 3.3Å; F148-R153 PolarHBondContact O-NH2 3.43Å; F148-A156 HydrophobicContact CD2-CB 3.44Å; F148-A156 VanDerWaalsContact CD2-CB 3.44Å; F148-A156 HydrophobicContact CE2-CB 3.77Å; F148-A156 HydrophobicContact CG-CB 4.01Å
149	D	75.9	Confident	81.1	Confident	121 Å²	121	55.8 Å²	55.8	65%	0.647	33%	0.325	S	S	*	.			trans	-115.8	158.3	172.7	-70	-41.2	0	0	0	111.2	R153	D149-R153 IonicContact OD1-CZ 2.71Å; D149-R153 IonicContact OD1-NH2 3.46Å; D149-R153 PolarHBondContact OD1-NH2 2.93Å
150	G	79.2	Confident	80.9	Confident	50 Å²	50	56.9 Å²	56.9	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-144.5	175	0	0	0	0	0	114	A152 R153	G150-A152 PolarHBondContact O-N 3.06Å; G150-R153 VanDerWaalsContact O-CB 3.27Å; G150-R153 WeakPolarHBondContact O-CB 3.18Å; G150-R153 PolarHBondContact O-N 3.17Å; G150-R153 VanDerWaalsContact O-N 3.12Å
151	P	75.3	Confident	80.7	Confident	106 Å²	106	58.2 Å²	58.2	69%	0.688	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-30.1	-177.5	-24.6	34.2	0	0	0	114.3	R153 T154 I155	P151-R153 PolarHBondContact O-N 2.93Å; P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.16Å; P151-I155 PolarHBondContact O-N 3.27Å
152	A	80.4	Confident	80.7	Confident	42 Å²	42	56.4 Å²	56.4	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-28.7	178.6	0	0	0	0	0	112.2	F148 G150 I155 A156	F148-A152 HydrophobicContact CB-CB 4.38Å; F148-A152 HydrophobicContact CD1-CB 4.11Å; G150-A152 PolarHBondContact O-N 3.06Å; A152-I155 PolarHBondContact O-N 2.9Å; A152-A156 WeakPolarHBondContact O-CB 3.24Å; A152-A156 PolarHBondContact O-N 3.47Å
153	R	81.7	Confident	80.8	Confident	92 Å²	92	57.8 Å²	57.8	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-41.8	175.1	-174.7	-179.8	-72.4	178.2	1.4	111.8	M145 F148 D149 G150 P151 A156 G157	M145-R153 HydrophobicContact CE-CG 3.41Å; M145-R153 VanDerWaalsContact CE-CG 3.41Å; M145-R153 PolarHBondContact O-NE 3.41Å; M145-R153 PolarHBondContact O-NH2 3.07Å; M145-R153 HydrophobicContact SD-CG 3.52Å; M145-R153 VanDerWaalsContact SD-CG 3.52Å; F148-R153 HydrophobicContact CB-CB 4.2Å; F148-R153 PolarHBondContact O-NE 3.3Å; F148-R153 PolarHBondContact O-NH2 3.43Å; D149-R153 IonicContact OD1-CZ 2.71Å; D149-R153 IonicContact OD1-NH2 3.46Å; D149-R153 PolarHBondContact OD1-NH2 2.93Å; G150-R153 VanDerWaalsContact O-CB 3.27Å; G150-R153 WeakPolarHBondContact O-CB 3.18Å; G150-R153 PolarHBondContact O-N 3.17Å; G150-R153 VanDerWaalsContact O-N 3.12Å; P151-R153 PolarHBondContact O-N 2.93Å; R153-A156 PolarHBondContact O-N 3.44Å; R153-G157 PolarHBondContact O-N 3.12Å
154	T	74.4	Confident	80.8	Confident	76 Å²	76	60.1 Å²	60.1	47%	0.466	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-45.6	176.6	-53.4	0	0	0	0	111	P151 A156 G157 I158	P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.16Å; T154-A156 VanDerWaalsContact C-N 3.32Å; T154-A156 PolarHBondContact O-N 3.17Å; T154-G157 PolarHBondContact O-N 2.99Å; T154-I158 HydrophobicContact CG2-CD1 4.33Å; T154-I158 WeakPolarHBondContact O-CG1 3.41Å; T154-I158 PolarHBondContact O-N 2.92Å
155	I	78.8	Confident	81.1	Confident	123 Å²	123	58.6 Å²	58.6	63%	0.631	35%	0.351	S	S	*	.	H	α-helix	trans	-61	-43.6	177.6	-61.2	171.1	0	0	0	110.5	P151 A152 G157 I158 G159	P151-I155 PolarHBondContact O-N 3.27Å; A152-I155 PolarHBondContact O-N 2.9Å; I155-G157 PolarHBondContact O-N 3.32Å; I155-I158 PolarHBondContact O-N 3.48Å; I155-G159 PolarHBondContact O-N 2.67Å
156	A	81.5	Confident	81.5	Confident	17 Å²	17	59.3 Å²	59.3	14%	0.14	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-39.2	177.5	0	0	0	0	0	112.4	V144 F148 A152 R153 T154 G159 L160	V144-A156 HydrophobicContact CG1-CB 3.63Å; F148-A156 HydrophobicContact CD2-CB 3.44Å; F148-A156 VanDerWaalsContact CD2-CB 3.44Å; F148-A156 HydrophobicContact CE2-CB 3.77Å; F148-A156 HydrophobicContact CG-CB 4.01Å; A152-A156 WeakPolarHBondContact O-CB 3.24Å; A152-A156 PolarHBondContact O-N 3.47Å; R153-A156 PolarHBondContact O-N 3.44Å; T154-A156 VanDerWaalsContact C-N 3.32Å; T154-A156 PolarHBondContact O-N 3.17Å; A156-G159 PolarHBondContact O-N 2.95Å; A156-L160 PolarHBondContact O-N 3.23Å
157	G	76.1	Confident	81.9	Confident	15 Å²	15	59.1 Å²	59.1	16%	0.155	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-43.6	173.5	0	0	0	0	0	113	R153 T154 I155 G159 L160 Q161	R153-G157 PolarHBondContact O-N 3.12Å; T154-G157 PolarHBondContact O-N 2.99Å; I155-G157 PolarHBondContact O-N 3.32Å; G157-G159 VanDerWaalsContact C-N 3.35Å; G157-L160 PolarHBondContact O-N 3.41Å; G157-Q161 PolarHBondContact O-N 3.16Å
158	I	78.5	Confident	82.3	Confident	61 Å²	61	57.4 Å²	57.4	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-42.9	173.5	-65	167.3	0	0	0	110.4	T154 I155 L160 Q161 S162	T154-I158 HydrophobicContact CG2-CD1 4.33Å; T154-I158 WeakPolarHBondContact O-CG1 3.41Å; T154-I158 PolarHBondContact O-N 2.92Å; I155-I158 PolarHBondContact O-N 3.48Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 2.9Å; I158-Q161 PolarHBondContact O-N 3.27Å; I158-Q161 VanDerWaalsContact O-N 3.12Å; I158-S162 PolarHBondContact O-N 3.01Å; I158-S162 PolarHBondContact O-OG 2.89Å; I158-S162 VanDerWaalsContact O-OG 3.12Å
159	G	81	Confident	82.7	Confident	42 Å²	42	58.2 Å²	58.2	43%	0.433	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-39.3	176	0	0	0	0	0	112.9	I155 A156 G157 S162 S163	I155-G159 PolarHBondContact O-N 2.67Å; A156-G159 PolarHBondContact O-N 2.95Å; G157-G159 VanDerWaalsContact C-N 3.35Å; G159-S162 PolarHBondContact O-N 3.49Å; G159-S163 PolarHBondContact O-N 3.48Å
160	L	81.7	Confident	83.5	Confident	26 Å²	26	56.1 Å²	56.1	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-44	174.8	-171	72.4	0	0	0	111.7	F137 A140 F141 A156 G157 I158 S162 S163	F137-L160 HydrophobicContact CE2-CD2 4.23Å; F137-L160 HydrophobicContact CZ-CD2 4.5Å; A140-L160 HydrophobicContact CB-CD1 4.47Å; F141-L160 HydrophobicContact CB-CD2 3.79Å; F141-L160 HydrophobicContact CD2-CD2 3.66Å; F141-L160 HydrophobicContact CG-CD2 4.23Å; A156-L160 PolarHBondContact O-N 3.23Å; G157-L160 PolarHBondContact O-N 3.41Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 2.9Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.44Å; L160-S163 WeakPolarHBondContact O-CB 3.48Å; L160-S163 PolarHBondContact O-N 2.94Å; L160-S163 VanDerWaalsContact O-N 3.14Å; L160-S163 PolarHBondContact O-OG 3.22Å
161	Q	82.4	Confident	84.2	Confident	46 Å²	46	56.2 Å²	56.2	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-37	177.3	-64.3	-71.8	42.9	0	0	112.4	G157 I158 S163 C164 T165 Y317	G157-Q161 PolarHBondContact O-N 3.16Å; I158-Q161 PolarHBondContact O-N 3.27Å; I158-Q161 VanDerWaalsContact O-N 3.12Å; Q161-S163 PolarHBondContact O-N 3.38Å; Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.24Å; Q161-C164 VanDerWaalsContact O-N 3.12Å; Q161-T165 PolarHBondContact O-N 2.98Å; Q161-Y317 HydrophobicContact CB-CD2 4.48Å; Q161-Y317 HydrophobicContact CB-CE1 4.35Å; Q161-Y317 HydrophobicContact CB-CE2 3.91Å
162	S	83	Confident	85	Confident	34 Å²	34	51.2 Å²	51.2	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-29.6	174.3	-63.7	0	0	0	0	112.7	I158 G159 L160 C164 T165 A166	I158-S162 PolarHBondContact O-N 3.01Å; I158-S162 PolarHBondContact O-OG 2.89Å; I158-S162 VanDerWaalsContact O-OG 3.12Å; G159-S162 PolarHBondContact O-N 3.49Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.44Å; S162-C164 VanDerWaalsContact C-N 3.35Å; S162-T165 PolarHBondContact O-N 3.37Å; S162-A166 PolarHBondContact O-N 2.99Å
163	S	85.1	Confident	85.6	Confident	66 Å²	66	52.5 Å²	52.5	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-37.9	175.2	78.6	0	0	0	0	112.3	G159 L160 Q161 T165 A166 G167	G159-S163 PolarHBondContact O-N 3.48Å; L160-S163 WeakPolarHBondContact O-CB 3.48Å; L160-S163 PolarHBondContact O-N 2.94Å; L160-S163 VanDerWaalsContact O-N 3.14Å; L160-S163 PolarHBondContact O-OG 3.22Å; Q161-S163 PolarHBondContact O-N 3.38Å; S163-T165 VanDerWaalsContact C-N 3.35Å; S163-A166 PolarHBondContact O-N 2.82Å; S163-G167 PolarHBondContact O-N 3.38Å
164	C	86.6	Confident	86.2	Confident	62 Å²	62	49 Å²	49	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-41.2	172.7	-63.9	0	0	0	0	111.2	Q161 S162 G167 Y168	Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.24Å; Q161-C164 VanDerWaalsContact O-N 3.12Å; S162-C164 VanDerWaalsContact C-N 3.35Å; C164-G167 PolarHBondContact O-N 3.32Å; C164-Y168 WeakPolarHBondContact O-CB 3.12Å; C164-Y168 PolarHBondContact O-N 3.44Å
165	T	90.1	Very high	87.1	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-39.7	176.7	-56.5	0	0	0	0	112.5	Q161 S162 S163 G167 Y168 F169 A310 E313 L314 Y317	Q161-T165 PolarHBondContact O-N 2.98Å; S162-T165 PolarHBondContact O-N 3.37Å; S163-T165 VanDerWaalsContact C-N 3.35Å; T165-G167 VanDerWaalsContact C-N 3.34Å; T165-G167 PolarHBondContact O-N 3Å; T165-Y168 WeakPolarHBondContact O-CB 3.49Å; T165-Y168 PolarHBondContact O-N 3.35Å; T165-F169 PolarHBondContact O-N 3.07Å; T165-A310 VanDerWaalsContact CG2-O 3.23Å; T165-A310 WeakPolarHBondContact CG2-O 3.46Å; T165-E313 HydrophobicContact CG2-CB 3.58Å; T165-E313 HydrophobicContact CG2-CG 4.43Å; T165-L314 HydrophobicContact CG2-CD2 4.4Å; T165-L314 HydrophobicContact CG2-CG 3.86Å; T165-Y317 WeakPolarHBondContact OG1-CE2 3.43Å; T165-Y317 PolarHBondContact OG1-OH 3.32Å
166	A	90.3	Very high	87.7	Confident	62 Å²	62	46.1 Å²	46.1	51%	0.512	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-43.9	174.2	0	0	0	0	0	111.3	S162 S163 F169 L170	S162-A166 PolarHBondContact O-N 2.99Å; S163-A166 PolarHBondContact O-N 2.82Å; A166-F169 PolarHBondContact O-N 3.37Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 2.92Å
167	G	91.6	Very high	88.2	Confident	38 Å²	38	55.2 Å²	55.2	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.1	0	0	0	0	0	112.6	S163 C164 T165 F169 L170 N171	S163-G167 PolarHBondContact O-N 3.38Å; C164-G167 PolarHBondContact O-N 3.32Å; T165-G167 VanDerWaalsContact C-N 3.34Å; T165-G167 PolarHBondContact O-N 3Å; G167-F169 PolarHBondContact O-N 3.31Å; G167-L170 PolarHBondContact O-N 2.81Å; G167-N171 WeakPolarHBondContact O-CB 3.45Å; G167-N171 PolarHBondContact O-N 2.61Å
168	Y	91.9	Very high	89	Confident	41 Å²	41	57.4 Å²	57.4	16%	0.161	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-46	178	-174.8	-156.3	0	0	0	111.6	C164 T165 N171 G172 Y306 A310 E313 R399	C164-Y168 WeakPolarHBondContact O-CB 3.12Å; C164-Y168 PolarHBondContact O-N 3.44Å; T165-Y168 WeakPolarHBondContact O-CB 3.49Å; T165-Y168 PolarHBondContact O-N 3.35Å; Y168-N171 PolarHBondContact O-N 3.18Å; Y168-G172 PolarHBondContact O-N 3.19Å; Y168-Y306 AromaticContact CD2-CE1 3.86Å; Y168-Y306 HydrophobicContact CD2-CE1 3.86Å; Y168-Y306 HydrophobicContact CD2-CE2 4.23Å; Y168-Y306 AromaticContact CD2-CZ 3.5Å; Y168-Y306 WeakPolarHBondContact CD2-OH 3.38Å; Y168-Y306 HydrophobicContact CE2-CD1 4.35Å; Y168-Y306 HydrophobicContact CE2-CD2 4.13Å; Y168-Y306 AromaticContact CE2-CE1 3.65Å; Y168-Y306 HydrophobicContact CE2-CE1 3.65Å; Y168-Y306 AromaticContact CE2-CE2 3.45Å; Y168-Y306 HydrophobicContact CE2-CE2 3.45Å; Y168-Y306 VanDerWaalsContact CE2-CE2 3.45Å; Y168-Y306 AromaticContact CE2-CZ 3.16Å; Y168-Y306 WeakPolarHBondContact CE2-OH 3.2Å; Y168-Y306 WeakPolarHBondContact O-CE1 3.12Å; Y168-Y306 PolarHBondContact O-OH 2.85Å; Y168-A310 HydrophobicContact CD1-CB 3.55Å; Y168-A310 HydrophobicContact CD2-CB 4.38Å; Y168-A310 HydrophobicContact CE1-CB 3.82Å; Y168-A310 HydrophobicContact CG-CB 3.82Å; Y168-E313 HydrophobicContact CD1-CG 4.43Å; Y168-R399 PolarHBondContact OH-NH2 3.48Å
169	F	92.1	Very high	89.5	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-47.4	175.7	-170.1	-87.7	0	0	0	111.9	T165 A166 G167 N171 G172 V173 F307 A310	T165-F169 PolarHBondContact O-N 3.07Å; A166-F169 PolarHBondContact O-N 3.37Å; G167-F169 PolarHBondContact O-N 3.31Å; F169-N171 VanDerWaalsContact C-N 3.3Å; F169-N171 PolarHBondContact O-N 3.13Å; F169-G172 WeakPolarHBondContact O-CA 3.34Å; F169-G172 PolarHBondContact O-N 3.41Å; F169-V173 HydrophobicContact CD1-CG2 4.05Å; F169-V173 HydrophobicContact CE1-CG2 3.82Å; F169-V173 PolarHBondContact O-N 3.3Å; F169-V173 VanDerWaalsContact O-N 3.12Å; F169-F307 HydrophobicContact CD2-CD1 4.46Å; F169-F307 HydrophobicContact CE2-CD1 4.18Å; F169-F307 HydrophobicContact CZ-CD1 4.4Å; F169-A310 HydrophobicContact CB-CB 4.13Å; F169-A310 HydrophobicContact CD2-CB 4.2Å
170	L	92.5	Very high	90.1	Very high	77 Å²	77	58.9 Å²	58.9	40%	0.403	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-41.5	177.9	-179.5	61.6	0	0	0	111.7	A166 G167 G172 V173 I174 I191	A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 2.81Å; L170-G172 PolarHBondContact O-N 2.92Å; L170-V173 WeakPolarHBondContact O-CB 3.36Å; L170-V173 PolarHBondContact O-N 3.01Å; L170-I174 HydrophobicContact CD1-CD1 4.26Å; L170-I174 HydrophobicContact CD1-CG1 4.37Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 HydrophobicContact CG-CG1 4.49Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.49Å; L170-I191 HydrophobicContact CD2-CG2 4.49Å
171	N	93	Very high	90.6	Very high	53 Å²	53	59.2 Å²	59.2	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-37.5	175.1	-171.1	62.4	0	0	0	111.7	G167 Y168 F169 A175 C188 Y306	G167-N171 WeakPolarHBondContact O-CB 3.45Å; G167-N171 PolarHBondContact O-N 2.61Å; Y168-N171 PolarHBondContact O-N 3.18Å; F169-N171 VanDerWaalsContact C-N 3.3Å; F169-N171 PolarHBondContact O-N 3.13Å; N171-A175 WeakPolarHBondContact O-CB 3.28Å; N171-A175 PolarHBondContact O-N 2.87Å; N171-C188 PolarHBondContact OD1-SG 3.34Å; N171-Y306 PolarHBondContact ND2-OH 3.42Å
172	G	92.6	Very high	91.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-42.7	173.5	0	0	0	0	0	112.6	Y168 F169 L170 A175 Y176 F307	Y168-G172 PolarHBondContact O-N 3.19Å; F169-G172 WeakPolarHBondContact O-CA 3.34Å; F169-G172 PolarHBondContact O-N 3.41Å; L170-G172 PolarHBondContact O-N 2.92Å; G172-A175 PolarHBondContact O-N 3.34Å; G172-Y176 PolarHBondContact O-N 2.88Å; G172-F307 WeakPolarHBondContact O-CZ 3.37Å
173	V	93.4	Very high	91.8	Very high	68 Å²	68	63.5 Å²	63.5	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-46	180	177.2	0	0	0	0	110.3	F169 L170 Y176 R177 F307	F169-V173 HydrophobicContact CD1-CG2 4.05Å; F169-V173 HydrophobicContact CE1-CG2 3.82Å; F169-V173 PolarHBondContact O-N 3.3Å; F169-V173 VanDerWaalsContact O-N 3.12Å; L170-V173 WeakPolarHBondContact O-CB 3.36Å; L170-V173 PolarHBondContact O-N 3.01Å; V173-Y176 PolarHBondContact O-N 2.9Å; V173-R177 PolarHBondContact O-N 3.39Å; V173-F307 HydrophobicContact CB-CE1 4.36Å; V173-F307 HydrophobicContact CG2-CE1 3.71Å; V173-F307 HydrophobicContact CG2-CZ 4.3Å
174	I	93.9	Very high	92.2	Very high	20 Å²	20	62 Å²	62	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-44.6	178.3	-58.1	164.4	0	0	0	109.8	L170 Y176 R177 M178 L184 T187 I191	L170-I174 HydrophobicContact CD1-CD1 4.26Å; L170-I174 HydrophobicContact CD1-CG1 4.37Å; L170-I174 HydrophobicContact CG-CD1 3.95Å; L170-I174 HydrophobicContact CG-CG1 4.49Å; L170-I174 WeakPolarHBondContact O-CG1 3.43Å; L170-I174 PolarHBondContact O-N 3.49Å; I174-Y176 VanDerWaalsContact C-N 3.3Å; I174-Y176 PolarHBondContact O-N 2.85Å; I174-R177 CarbonylContact O-C 3.59Å; I174-R177 PolarHBondContact O-N 3.47Å; I174-M178 HydrophobicContact CG2-CG 4.4Å; I174-M178 HydrophobicContact CG2-SD 3.93Å; I174-M178 WeakPolarHBondContact O-CB 3.43Å; I174-M178 PolarHBondContact O-N 2.86Å; I174-L184 HydrophobicContact CB-CD1 3.91Å; I174-L184 HydrophobicContact CG2-CD1 3.51Å; I174-T187 HydrophobicContact CG2-CG2 3.93Å; I174-I191 HydrophobicContact CD1-CD1 3.44Å; I174-I191 VanDerWaalsContact CD1-CD1 3.44Å
175	A	92.9	Very high	92.6	Very high	15 Å²	15	61.5 Å²	61.5	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-35.8	178.8	0	0	0	0	0	112.9	N171 G172 R177 M178 L184 Y303	N171-A175 WeakPolarHBondContact O-CB 3.28Å; N171-A175 PolarHBondContact O-N 2.87Å; G172-A175 PolarHBondContact O-N 3.34Å; A175-R177 PolarHBondContact O-N 3.02Å; A175-M178 CarbonylContact O-C 3.57Å; A175-M178 VanDerWaalsContact O-O 3.1Å; A175-L184 HydrophobicContact CB-CD1 4.04Å; A175-L184 HydrophobicContact CB-CD2 3.85Å; A175-Y303 HydrophobicContact CB-CE1 4.1Å; A175-Y303 VanDerWaalsContact O-CE1 3.3Å; A175-Y303 WeakPolarHBondContact O-CE1 3.31Å
176	Y	91.6	Very high	92.8	Very high	123 Å²	123	63.9 Å²	63.9	48%	0.482	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-34.6	174.8	-178.7	-107.7	0	0	0	112.1	G172 V173 I174 Y303	G172-Y176 PolarHBondContact O-N 2.88Å; V173-Y176 PolarHBondContact O-N 2.9Å; I174-Y176 VanDerWaalsContact C-N 3.3Å; I174-Y176 PolarHBondContact O-N 2.85Å; Y176-Y303 HydrophobicContact CD2-CD1 4.31Å; Y176-Y303 HydrophobicContact CD2-CD2 4.3Å; Y176-Y303 AromaticContact CD2-CG 4Å; Y176-Y303 HydrophobicContact CD2-CG 4Å
177	R	91.8	Very high	93	Very high	208 Å²	208	62.7 Å²	62.7	79%	0.785	30%	0.299	S	S	*	.	H	α-helix	trans	-85.8	-33.8	-180	-142.4	69.2	174.6	80.3	-3	113.2	V173 I174 A175	V173-R177 PolarHBondContact O-N 3.39Å; I174-R177 CarbonylContact O-C 3.59Å; I174-R177 PolarHBondContact O-N 3.47Å; A175-R177 PolarHBondContact O-N 3.02Å
178	M	92.5	Very high	93.2	Very high	60 Å²	60	62.6 Å²	62.6	30%	0.296	29%	0.292	S	S	.	.			trans	-117.7	97.2	-177.2	-62.4	-175.4	176.8	0	0	109.9	I174 A175 D180 Q183 T187	I174-M178 HydrophobicContact CG2-CG 4.4Å; I174-M178 HydrophobicContact CG2-SD 3.93Å; I174-M178 WeakPolarHBondContact O-CB 3.43Å; I174-M178 PolarHBondContact O-N 2.86Å; A175-M178 CarbonylContact O-C 3.57Å; A175-M178 VanDerWaalsContact O-O 3.1Å; M178-D180 VanDerWaalsContact C-N 3.3Å; M178-D180 PolarHBondContact O-N 3.42Å; M178-Q183 HydrophobicContact SD-CB 4.33Å; M178-T187 HydrophobicContact CE-CG2 3.84Å; M178-T187 WeakPolarHBondContact CE-OG1 3.26Å; M178-T187 HydrophobicContact SD-CG2 3.96Å; M178-T187 PolarHBondContact SD-OG1 2.98Å
179	R	90.4	Very high	93.2	Very high	101 Å²	101	60.9 Å²	60.9	38%	0.381	29%	0.286	S	S	.	.			trans	-87.8	2.7	-176.6	-57.9	-175.7	-179	-172.3	2.3	114.1	S48 D49 V51	S48-R179 PolarHBondContact O-NH1 2.88Å; D49-R179 WeakPolarHBondContact O-CD 3.31Å; V51-R179 HydrophobicContact CG2-CB 4.09Å; V51-R179 PolarHBondContact N-O 2.88Å; V51-R179 VanDerWaalsContact N-O 3.11Å
180	D	92.5	Very high	93.1	Very high	33 Å²	33	60.7 Å²	60.7	18%	0.176	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-100.9	124.8	171.2	-174.9	-77.2	0	0	0	109.3	S52 M178 K182 Q183 L184	S52-D180 WeakPolarHBondContact CB-OD2 3.47Å; S52-D180 PolarHBondContact OG-OD2 3.05Å; M178-D180 VanDerWaalsContact C-N 3.3Å; M178-D180 PolarHBondContact O-N 3.42Å; D180-K182 VanDerWaalsContact C-N 3.26Å; D180-K182 PolarHBondContact O-N 3.42Å; D180-K182 WeakPolarHBondContact OD1-CA 3.29Å; D180-K182 VanDerWaalsContact OD1-CB 3.24Å; D180-K182 WeakPolarHBondContact OD1-CB 3.29Å; D180-K182 PolarHBondContact OD1-N 3.5Å; D180-Q183 HydrophobicContact CB-CB 4.38Å; D180-Q183 HydrophobicContact CB-CG 4.25Å; D180-Q183 PolarHBondContact O-N 3.39Å; D180-Q183 PolarHBondContact OD1-N 3.45Å; D180-L184 WeakPolarHBondContact O-CB 3.3Å; D180-L184 PolarHBondContact O-N 3.32Å
181	W	92.6	Very high	92.9	Very high	33 Å²	33	59.6 Å²	59.6	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-29.3	-173.7	77.4	-86	0	0	0	113.4	S52 T53 M57 Y58 L113 Q185	S52-W181 PolarHBondContact O-N 3.01Å; S52-W181 VanDerWaalsContact OG-CD1 3.27Å; T53-W181 VanDerWaalsContact CA-CD1 3.47Å; M57-W181 HydrophobicContact SD-CZ2 3.62Å; Y58-W181 HydrophobicContact CE2-CZ2 4.43Å; L113-W181 HydrophobicContact CD2-CZ3 4.4Å; L113-W181 HydrophobicContact CG-CZ3 4.37Å; W181-Q185 WeakPolarHBondContact O-CB 3.46Å; W181-Q185 PolarHBondContact O-N 3.46Å
182	K	94.8	Very high	92.6	Very high	55 Å²	55	58.2 Å²	58.2	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-44.6	178.8	-68.3	-170.8	175.6	-152.7	0	110.9	M57 P114 D180 Q185 L186	M57-K182 VanDerWaalsContact CE-NZ 3.33Å; M57-K182 WeakPolarHBondContact SD-CE 3.49Å; P114-K182 HydrophobicContact CB-CB 3.91Å; P114-K182 HydrophobicContact CB-CD 4.5Å; P114-K182 HydrophobicContact CB-CG 4.18Å; P114-K182 WeakPolarHBondContact O-CD 3.48Å; P114-K182 VanDerWaalsContact O-CE 3.24Å; P114-K182 WeakPolarHBondContact O-CE 3.2Å; P114-K182 PolarHBondContact O-NZ 3.5Å; D180-K182 VanDerWaalsContact C-N 3.26Å; D180-K182 PolarHBondContact O-N 3.42Å; D180-K182 WeakPolarHBondContact OD1-CA 3.29Å; D180-K182 VanDerWaalsContact OD1-CB 3.24Å; D180-K182 WeakPolarHBondContact OD1-CB 3.29Å; D180-K182 PolarHBondContact OD1-N 3.5Å; K182-Q185 PolarHBondContact O-N 2.77Å; K182-L186 WeakPolarHBondContact O-CB 3.38Å; K182-L186 PolarHBondContact O-N 2.87Å
183	Q	94.8	Very high	92.1	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-42.2	176.5	-65.9	-176.9	-10	0	0	111.4	M178 D180 L186 T187	M178-Q183 HydrophobicContact SD-CB 4.33Å; D180-Q183 HydrophobicContact CB-CB 4.38Å; D180-Q183 HydrophobicContact CB-CG 4.25Å; D180-Q183 PolarHBondContact O-N 3.39Å; D180-Q183 PolarHBondContact OD1-N 3.45Å; Q183-L186 PolarHBondContact O-N 3.5Å; Q183-T187 VanDerWaalsContact O-CB 3.27Å; Q183-T187 WeakPolarHBondContact O-CB 3.19Å; Q183-T187 PolarHBondContact O-N 2.93Å; Q183-T187 PolarHBondContact O-OG1 3.29Å
184	L	94.8	Very high	91.5	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-57.9	-52.1	174.6	176.4	59.9	0	0	0	111	I174 A175 D180 L186 T187 C188	I174-L184 HydrophobicContact CB-CD1 3.91Å; I174-L184 HydrophobicContact CG2-CD1 3.51Å; A175-L184 HydrophobicContact CB-CD1 4.04Å; A175-L184 HydrophobicContact CB-CD2 3.85Å; D180-L184 WeakPolarHBondContact O-CB 3.3Å; D180-L184 PolarHBondContact O-N 3.32Å; L184-L186 PolarHBondContact O-N 3.06Å; L184-T187 PolarHBondContact O-N 3.14Å; L184-C188 PolarHBondContact O-N 2.97Å; L184-C188 PolarHBondContact O-SG 2.95Å; L184-C188 VanDerWaalsContact O-SG 3.4Å
185	Q	95	Very high	90.6	Very high	52 Å²	52	66.7 Å²	66.7	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-47.1	180	179.9	62.2	29.5	0	0	112	A110 L113 P114 W181 K182 T187 S189	A110-Q185 PolarHBondContact O-NE2 2.87Å; L113-Q185 HydrophobicContact CB-CG 4.14Å; L113-Q185 HydrophobicContact CD2-CG 4.11Å; P114-Q185 HydrophobicContact CG-CB 4.08Å; P114-Q185 HydrophobicContact CG-CG 3.93Å; W181-Q185 WeakPolarHBondContact O-CB 3.46Å; W181-Q185 PolarHBondContact O-N 3.46Å; K182-Q185 PolarHBondContact O-N 2.77Å; Q185-T187 VanDerWaalsContact C-N 3.34Å; Q185-T187 PolarHBondContact O-N 2.86Å; Q185-S189 PolarHBondContact NE2-OG 2.65Å; Q185-S189 WeakPolarHBondContact O-CB 3.35Å; Q185-S189 PolarHBondContact O-N 3.45Å; Q185-S189 PolarHBondContact O-OG 2.95Å
186	L	94.4	Very high	89.8	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.9	-174.6	60.9	0	0	0	111.3	P114 K182 Q183 L184 S189 I190	P114-L186 HydrophobicContact CG-CB 4.18Å; K182-L186 WeakPolarHBondContact O-CB 3.38Å; K182-L186 PolarHBondContact O-N 2.87Å; Q183-L186 PolarHBondContact O-N 3.5Å; L184-L186 PolarHBondContact O-N 3.06Å; L186-S189 PolarHBondContact O-N 2.95Å; L186-I190 HydrophobicContact CD1-CD1 4.16Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.88Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.33Å
187	T	95	Very high	88.7	Confident	38 Å²	38	60.7 Å²	60.7	23%	0.233	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-47.1	-179.1	-58.9	0	0	0	0	111.6	I174 M178 Q183 L184 Q185 S189 I190 I191	I174-T187 HydrophobicContact CG2-CG2 3.93Å; M178-T187 HydrophobicContact CE-CG2 3.84Å; M178-T187 WeakPolarHBondContact CE-OG1 3.26Å; M178-T187 HydrophobicContact SD-CG2 3.96Å; M178-T187 PolarHBondContact SD-OG1 2.98Å; Q183-T187 VanDerWaalsContact O-CB 3.27Å; Q183-T187 WeakPolarHBondContact O-CB 3.19Å; Q183-T187 PolarHBondContact O-N 2.93Å; Q183-T187 PolarHBondContact O-OG1 3.29Å; L184-T187 PolarHBondContact O-N 3.14Å; Q185-T187 VanDerWaalsContact C-N 3.34Å; Q185-T187 PolarHBondContact O-N 2.86Å; T187-S189 VanDerWaalsContact C-N 3.27Å; T187-S189 PolarHBondContact O-N 3.25Å; T187-I190 PolarHBondContact O-N 3.18Å; T187-I191 HydrophobicContact CG2-CD1 4.17Å; T187-I191 WeakPolarHBondContact O-CG1 3.4Å; T187-I191 PolarHBondContact O-N 2.9Å
188	C	94.1	Very high	87.6	Confident	35 Å²	35	54.8 Å²	54.8	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-38.6	175.4	-69.8	0	0	0	0	111.7	N171 L184 I191 G192	N171-C188 PolarHBondContact OD1-SG 3.34Å; L184-C188 PolarHBondContact O-N 2.97Å; L184-C188 PolarHBondContact O-SG 2.95Å; L184-C188 VanDerWaalsContact O-SG 3.4Å; C188-I191 PolarHBondContact O-N 3.18Å; C188-G192 PolarHBondContact O-N 3.5Å
189	S	93.1	Very high	86.2	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-40.5	178.3	-52.3	0	0	0	0	112.4	V107 A110 C111 Q185 L186 T187 I191 G192 L193	V107-S189 VanDerWaalsContact CG1-O 3.27Å; V107-S189 WeakPolarHBondContact CG1-O 3.35Å; A110-S189 WeakPolarHBondContact CB-OG 3.45Å; A110-S189 PolarHBondContact O-OG 2.94Å; C111-S189 WeakPolarHBondContact SG-CB 3.4Å; Q185-S189 PolarHBondContact NE2-OG 2.65Å; Q185-S189 WeakPolarHBondContact O-CB 3.35Å; Q185-S189 PolarHBondContact O-N 3.45Å; Q185-S189 PolarHBondContact O-OG 2.95Å; L186-S189 PolarHBondContact O-N 2.95Å; T187-S189 VanDerWaalsContact C-N 3.27Å; T187-S189 PolarHBondContact O-N 3.25Å; S189-I191 PolarHBondContact O-N 3.44Å; S189-G192 WeakPolarHBondContact O-CA 3.27Å; S189-G192 PolarHBondContact O-N 2.95Å; S189-G192 VanDerWaalsContact O-N 3.1Å; S189-L193 PolarHBondContact O-N 3.29Å
190	I	89.4	Confident	84.8	Confident	92 Å²	92	60.1 Å²	60.1	47%	0.472	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-40.3	174.7	-70.2	167.2	0	0	0	111.2	L186 T187 G192 L193 A194	L186-I190 HydrophobicContact CD1-CD1 4.16Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.88Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.33Å; T187-I190 PolarHBondContact O-N 3.18Å; I190-G192 VanDerWaalsContact C-N 3.26Å; I190-G192 PolarHBondContact O-N 3.03Å; I190-L193 WeakPolarHBondContact O-CB 3.28Å; I190-L193 PolarHBondContact O-N 3.05Å; I190-A194 PolarHBondContact O-N 3.21Å
191	I	89.4	Confident	83.3	Confident	54 Å²	54	59 Å²	59	28%	0.277	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-41.8	172.6	-67.3	166.3	0	0	0	109.8	L170 I174 T187 C188 S189 L193 A194 F195	L170-I191 HydrophobicContact CD2-CG2 4.49Å; I174-I191 HydrophobicContact CD1-CD1 3.44Å; I174-I191 VanDerWaalsContact CD1-CD1 3.44Å; T187-I191 HydrophobicContact CG2-CD1 4.17Å; T187-I191 WeakPolarHBondContact O-CG1 3.4Å; T187-I191 PolarHBondContact O-N 2.9Å; C188-I191 PolarHBondContact O-N 3.18Å; S189-I191 PolarHBondContact O-N 3.44Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.37Å; I191-A194 WeakPolarHBondContact O-CB 3.15Å; I191-A194 PolarHBondContact O-N 3.48Å; I191-A194 VanDerWaalsContact O-N 3.08Å; I191-F195 HydrophobicContact CG2-CD2 4.26Å; I191-F195 HydrophobicContact CG2-CE2 3.86Å; I191-F195 VanDerWaalsContact O-CD2 3.28Å; I191-F195 WeakPolarHBondContact O-CD2 3.29Å
192	G	86.1	Confident	81.5	Confident	23 Å²	23	63.9 Å²	63.9	24%	0.237	35%	0.347	C	S	.	.	H	α-helix	trans	-55.3	-41.1	173.2	0	0	0	0	0	113.6	C188 S189 I190 A194 F195	C188-G192 PolarHBondContact O-N 3.5Å; S189-G192 WeakPolarHBondContact O-CA 3.27Å; S189-G192 PolarHBondContact O-N 2.95Å; S189-G192 VanDerWaalsContact O-N 3.1Å; I190-G192 VanDerWaalsContact C-N 3.26Å; I190-G192 PolarHBondContact O-N 3.03Å; G192-A194 PolarHBondContact O-N 2.85Å; G192-F195 PolarHBondContact O-N 3.21Å
193	L	82.5	Confident	79.5	Confident	55 Å²	55	64.4 Å²	64.4	29%	0.288	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-35.5	175.7	-72.4	174.1	0	0	0	112.4	V107 S189 I190 I191 F195 I196 Y198	V107-L193 HydrophobicContact CB-CD2 4.22Å; V107-L193 HydrophobicContact CG1-CB 4.38Å; V107-L193 HydrophobicContact CG1-CD2 3.33Å; V107-L193 HydrophobicContact CG1-CG 3.43Å; V107-L193 VanDerWaalsContact CG1-CG 3.43Å; S189-L193 PolarHBondContact O-N 3.29Å; I190-L193 WeakPolarHBondContact O-CB 3.28Å; I190-L193 PolarHBondContact O-N 3.05Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.37Å; L193-F195 PolarHBondContact O-N 2.88Å; L193-I196 HydrophobicContact CD2-CD1 4.11Å; L193-I196 PolarHBondContact O-N 3.39Å; L193-Y198 WeakPolarHBondContact O-CE2 3.29Å; L193-Y198 PolarHBondContact O-OH 3.3Å
194	A	79.6	Confident	77.7	Confident	68 Å²	68	67.3 Å²	67.3	56%	0.562	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-22	179.3	0	0	0	0	0	112.8	I190 I191 G192	I190-A194 PolarHBondContact O-N 3.21Å; I191-A194 WeakPolarHBondContact O-CB 3.15Å; I191-A194 PolarHBondContact O-N 3.48Å; I191-A194 VanDerWaalsContact O-N 3.08Å; G192-A194 PolarHBondContact O-N 2.85Å
195	F	76.4	Confident	76	Confident	145 Å²	145	73.1 Å²	73.1	64%	0.636	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.1	-179.4	-70.4	-76.5	0	0	0	114.7	I191 G192 L193 F206	I191-F195 HydrophobicContact CG2-CD2 4.26Å; I191-F195 HydrophobicContact CG2-CE2 3.86Å; I191-F195 VanDerWaalsContact O-CD2 3.28Å; I191-F195 WeakPolarHBondContact O-CD2 3.29Å; G192-F195 PolarHBondContact O-N 3.21Å; L193-F195 PolarHBondContact O-N 2.88Å; F195-F206 WeakPolarHBondContact O-CE1 3.17Å; F195-F206 VanDerWaalsContact O-CZ 3.27Å; F195-F206 WeakPolarHBondContact O-CZ 3.41Å
196	I	75.6	Confident	74.1	Confident	5 Å²	5	72 Å²	72	3%	0.026	39%	0.386	C	S	.	.	S	Bend	trans	-74.6	130.6	177.4	-60.8	-178.7	0	0	0	109.8	F104 V107 L193 Y198	F104-I196 HydrophobicContact CB-CD1 4.47Å; F104-I196 HydrophobicContact CD2-CD1 4.41Å; V107-I196 HydrophobicContact CB-CD1 4.07Å; V107-I196 HydrophobicContact CG2-CD1 3.96Å; V107-I196 HydrophobicContact CG2-CG1 4.48Å; L193-I196 HydrophobicContact CD2-CD1 4.11Å; L193-I196 PolarHBondContact O-N 3.39Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 HydrophobicContact CB-CE1 4.29Å; I196-Y198 HydrophobicContact CB-CE2 4.03Å; I196-Y198 HydrophobicContact CG2-CD1 4.44Å; I196-Y198 HydrophobicContact CG2-CE1 4.17Å; I196-Y198 WeakPolarHBondContact O-CD2 3.15Å; I196-Y198 WeakPolarHBondContact O-CE2 3.37Å; I196-Y198 PolarHBondContact O-N 2.98Å
197	P	68.1	Low	72.7	Confident	7 Å²	7	76.5 Å²	76.5	5%	0.045	40%	0.399	C	S	.	.			trans	-70.5	83.3	174.8	8.2	-2.6	0	0	0	112.5	F99 I100 F206	F99-P197 HydrophobicContact CD1-CG 4.14Å; F99-P197 HydrophobicContact CE1-CG 3.77Å; I100-P197 HydrophobicContact CG1-CB 4.44Å; I100-P197 HydrophobicContact CG1-CG 3.97Å; P197-F206 VanDerWaalsContact CA-CG 3.43Å; P197-F206 HydrophobicContact CB-CB 3.56Å; P197-F206 HydrophobicContact CB-CD1 3.54Å; P197-F206 HydrophobicContact CB-CG 3.73Å; P197-F206 HydrophobicContact CG-CD1 4.02Å
198	Y	67.8	Low	71.5	Confident	83 Å²	83	78.1 Å²	78.1	33%	0.325	41%	0.406	S	S	.	.			trans	-69.7	136	172.3	-47.3	-87.3	0	0	0	110	L193 I196 E200 S201	L193-Y198 WeakPolarHBondContact O-CE2 3.29Å; L193-Y198 PolarHBondContact O-OH 3.3Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 HydrophobicContact CB-CE1 4.29Å; I196-Y198 HydrophobicContact CB-CE2 4.03Å; I196-Y198 HydrophobicContact CG2-CD1 4.44Å; I196-Y198 HydrophobicContact CG2-CE1 4.17Å; I196-Y198 WeakPolarHBondContact O-CD2 3.15Å; I196-Y198 WeakPolarHBondContact O-CE2 3.37Å; I196-Y198 PolarHBondContact O-N 2.98Å; Y198-E200 PolarHBondContact O-N 3.21Å; Y198-E200 VanDerWaalsContact O-N 3.11Å; Y198-S201 PolarHBondContact O-N 3.03Å
199	P	63.2	Low	70.7	Confident	102 Å²	102	78.3 Å²	78.3	66%	0.662	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.1	175.7	-23	31.2	0	0	0	112.9	R207	P199-R207 PolarHBondContact O-NE 3.31Å; P199-R207 VanDerWaalsContact O-NE 3.13Å; P199-R207 PolarHBondContact O-NH2 2.89Å
200	E	62.1	Low	70.3	Confident	171 Å²	171	79.3 Å²	79.3	80%	0.799	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	1.6	-178.2	-61	-179	-175.8	0	0	113.4	Y198	Y198-E200 PolarHBondContact O-N 3.21Å; Y198-E200 VanDerWaalsContact O-N 3.11Å
201	S	60.4	Low	70.2	Confident	10 Å²	10	76.3 Å²	76.3	7%	0.07	39%	0.394	C	S	.	.			trans	-61.4	139.8	-175.6	89.4	0	0	0	0	111.1	Y198 C203 F206	Y198-S201 PolarHBondContact O-N 3.03Å; S201-C203 PolarHBondContact O-N 3.12Å; S201-C203 PolarHBondContact OG-N 3.3Å; S201-C203 PolarHBondContact OG-O 3.33Å; S201-F206 WeakPolarHBondContact OG-CD2 3.29Å
202	P	54.8	Low	70.1	Confident	135 Å²	135	73.9 Å²	73.9	88%	0.877	38%	0.381	S	S	*	.	S	Bend	trans	-65.3	-21.3	173.3	25.3	-32.3	0	0	0	112.1	K204	P202-K204 PolarHBondContact O-N 3.26Å
203	C	52.5	Low	70.1	Confident	67 Å²	67	75.3 Å²	75.3	45%	0.453	38%	0.383	S	S	.	.			trans	-66.7	95.8	175.2	-87.8	0	0	0	0	110.7	S201 F205 F206	S201-C203 PolarHBondContact O-N 3.12Å; S201-C203 PolarHBondContact OG-N 3.3Å; S201-C203 PolarHBondContact OG-O 3.33Å; C203-F205 PolarHBondContact O-N 2.97Å; C203-F206 HydrophobicContact CB-CD2 3.51Å; C203-F206 HydrophobicContact CB-CE2 3.72Å; C203-F206 PolarHBondContact O-N 2.88Å
204	K	58.4	Low	70.1	Confident	175 Å²	175	75.4 Å²	75.4	76%	0.761	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-46.1	-32.8	173.9	-156.9	174.4	-173.6	177.5	0	112.1	P202 F206 R207 I208	P202-K204 PolarHBondContact O-N 3.26Å; K204-F206 PolarHBondContact O-N 3.46Å; K204-R207 PolarHBondContact O-N 3.46Å; K204-I208 WeakPolarHBondContact O-CG1 3.35Å; K204-I208 PolarHBondContact O-N 2.89Å
205	F	57.6	Low	70.4	Confident	157 Å²	157	72.7 Å²	72.7	69%	0.689	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-48.9	-40.9	176	-162.5	-97.6	0	0	0	113.5	C203 I208	C203-F205 PolarHBondContact O-N 2.97Å; F205-I208 WeakPolarHBondContact O-CB 3.35Å; F205-I208 PolarHBondContact O-N 3.12Å
206	F	56.5	Low	70.9	Confident	27 Å²	27	66.1 Å²	66.1	12%	0.118	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-78.8	-27.8	-175.4	-67.8	-50.6	0	0	0	114.2	F195 P197 S201 C203 K204 I208	F195-F206 WeakPolarHBondContact O-CE1 3.17Å; F195-F206 VanDerWaalsContact O-CZ 3.27Å; F195-F206 WeakPolarHBondContact O-CZ 3.41Å; P197-F206 VanDerWaalsContact CA-CG 3.43Å; P197-F206 HydrophobicContact CB-CB 3.56Å; P197-F206 HydrophobicContact CB-CD1 3.54Å; P197-F206 HydrophobicContact CB-CG 3.73Å; P197-F206 HydrophobicContact CG-CD1 4.02Å; S201-F206 WeakPolarHBondContact OG-CD2 3.29Å; C203-F206 HydrophobicContact CB-CD2 3.51Å; C203-F206 HydrophobicContact CB-CE2 3.72Å; C203-F206 PolarHBondContact O-N 2.88Å; K204-F206 PolarHBondContact O-N 3.46Å; F206-I208 PolarHBondContact O-N 2.92Å
207	R	64.3	Low	71.3	Confident	151 Å²	151	68 Å²	68	57%	0.57	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-72.1	-9.4	166.6	-75	-179.7	179.5	157.3	-0	112.3	P199 K204 R231	P199-R207 PolarHBondContact O-NE 3.31Å; P199-R207 VanDerWaalsContact O-NE 3.13Å; P199-R207 PolarHBondContact O-NH2 2.89Å; K204-R207 PolarHBondContact O-N 3.46Å; R207-R231 PolarHBondContact O-NH1 2.89Å; R207-R231 PolarHBondContact O-NH2 2.96Å
208	I	69.3	Low	71.9	Confident	73 Å²	73	73.5 Å²	73.5	37%	0.374	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-36.6	176.8	-58.8	166.7	0	0	0	111.7	K204 F205 F206 P210 R231	K204-I208 WeakPolarHBondContact O-CG1 3.35Å; K204-I208 PolarHBondContact O-N 2.89Å; F205-I208 WeakPolarHBondContact O-CB 3.35Å; F205-I208 PolarHBondContact O-N 3.12Å; F206-I208 PolarHBondContact O-N 2.92Å; I208-P210 WeakPolarHBondContact O-CD 3.26Å; I208-R231 VanDerWaalsContact CA-NH2 3.34Å; I208-R231 PolarHBondContact O-NH1 3.32Å
209	M	78.5	Confident	72.6	Confident	39 Å²	39	75.8 Å²	75.8	19%	0.192	38%	0.378	C	S	.	.			trans	-57.9	111.2	-174.7	-166.5	171.7	99.7	0	0	111.1	K96 F99 I143	K96-M209 HydrophobicContact CB-CE 4.08Å; K96-M209 HydrophobicContact CD-CE 4.43Å; K96-M209 WeakPolarHBondContact CE-O 3.32Å; K96-M209 HydrophobicContact CG-CE 3.74Å; K96-M209 PolarHBondContact NZ-O 3.31Å; F99-M209 HydrophobicContact CB-CE 4.23Å; F99-M209 HydrophobicContact CD1-CE 3.53Å; F99-M209 HydrophobicContact CD1-SD 4.22Å; F99-M209 HydrophobicContact CE1-CE 4.12Å; F99-M209 HydrophobicContact CE1-SD 4.22Å; F99-M209 HydrophobicContact CG-CE 3.98Å; I143-M209 HydrophobicContact CD1-CE 3.98Å
210	P	84	Confident	73.6	Confident	26 Å²	26	72.4 Å²	72.4	17%	0.169	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-78.2	168.2	178.4	34.9	-34.5	0	0	0	110.6	L147 I208 L228	L147-P210 HydrophobicContact CD1-CG 4.49Å; I208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-L228 HydrophobicContact CB-CD1 3.26Å; P210-L228 HydrophobicContact CB-CD2 3.91Å; P210-L228 HydrophobicContact CB-CG 4.24Å; P210-L228 HydrophobicContact CG-CD1 4.09Å
211	E	88.1	Confident	74.7	Confident	29 Å²	29	68.1 Å²	68.1	14%	0.136	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-79	157.9	162.5	-175	57.6	-88.9	0	0	109.2	R95 K96 L213 W215 L216 L228	R95-E211 PolarHBondContact N-OE1 3.3Å; R95-E211 PolarHBondContact N-OE2 2.85Å; K96-E211 VanDerWaalsContact CB-OE2 3.27Å; K96-E211 WeakPolarHBondContact CB-OE2 3.35Å; K96-E211 PolarHBondContact N-OE1 2.94Å; K96-E211 PolarHBondContact N-OE2 3.33Å; K96-E211 VanDerWaalsContact N-OE2 3.16Å; E211-L213 PolarHBondContact O-N 3.2Å; E211-W215 HydrophobicContact CG-CE3 3.69Å; E211-W215 HydrophobicContact CG-CZ3 3.99Å; E211-L216 HydrophobicContact CB-CD1 4.2Å; E211-L216 HydrophobicContact CB-CD2 4.34Å; E211-L216 HydrophobicContact CB-CG 4.21Å; E211-L216 HydrophobicContact CG-CD2 4.11Å; E211-L216 HydrophobicContact CG-CG 4.09Å; E211-L228 WeakPolarHBondContact O-CD2 3.31Å
212	S	87.2	Confident	75.7	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.021	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-49.3	125.4	172.8	155.2	0	0	0	0	111.7	R95 E146 T214 W215 L216	R95-S212 PolarHBondContact NH1-OG 2.99Å; E146-S212 WeakPolarHBondContact OE2-CB 3.23Å; E146-S212 PolarHBondContact OE2-OG 3.12Å; S212-T214 PolarHBondContact OG-N 3.42Å; S212-W215 PolarHBondContact O-N 2.88Å; S212-W215 WeakPolarHBondContact OG-CB 3.46Å; S212-W215 PolarHBondContact OG-N 3.5Å; S212-L216 VanDerWaalsContact O-CG 3.3Å; S212-L216 WeakPolarHBondContact O-CG 3.48Å; S212-L216 PolarHBondContact O-N 3.27Å
213	L	84.7	Confident	77.2	Confident	53 Å²	53	67.5 Å²	67.5	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-46.5	177.9	-178.4	63.4	0	0	0	110.5	E211 W215 L216 V217 V225 L228 R229	E211-L213 PolarHBondContact O-N 3.2Å; L213-W215 PolarHBondContact O-N 3.24Å; L213-L216 PolarHBondContact O-N 3.29Å; L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.24Å; L213-V225 HydrophobicContact CD1-CG1 3.89Å; L213-L228 HydrophobicContact CB-CD2 4.45Å; L213-L228 HydrophobicContact CD1-CD2 4.2Å; L213-R229 HydrophobicContact CD1-CG 4.24Å
214	T	83.6	Confident	78.8	Confident	57 Å²	57	70 Å²	70	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-45.9	178.7	-47.8	0	0	0	0	111.4	E146 S212 L216 V217 Q218	E146-T214 PolarHBondContact OE1-OG1 3.39Å; S212-T214 PolarHBondContact OG-N 3.42Å; T214-L216 PolarHBondContact O-N 2.96Å; T214-V217 PolarHBondContact O-N 3.47Å; T214-Q218 WeakPolarHBondContact O-CB 3.42Å; T214-Q218 WeakPolarHBondContact O-CG 3.31Å; T214-Q218 PolarHBondContact O-N 3.35Å
215	W	85.5	Confident	80.1	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.045	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-40	178.6	-175.1	89.6	0	0	0	112.3	D91 G94 E211 S212 L213 V217 Q218 R219 K221	D91-W215 PolarHBondContact O-NE1 3.49Å; G94-W215 VanDerWaalsContact CA-CZ2 3.44Å; G94-W215 VanDerWaalsContact N-CZ2 3.34Å; E211-W215 HydrophobicContact CG-CE3 3.69Å; E211-W215 HydrophobicContact CG-CZ3 3.99Å; S212-W215 PolarHBondContact O-N 2.88Å; S212-W215 WeakPolarHBondContact OG-CB 3.46Å; S212-W215 PolarHBondContact OG-N 3.5Å; L213-W215 PolarHBondContact O-N 3.24Å; W215-V217 VanDerWaalsContact C-N 3.33Å; W215-V217 PolarHBondContact O-N 3.33Å; W215-Q218 PolarHBondContact O-N 2.93Å; W215-R219 HydrophobicContact CD2-CG 3.94Å; W215-R219 HydrophobicContact CE3-CG 4.25Å; W215-R219 HydrophobicContact CH2-CG 4.21Å; W215-R219 HydrophobicContact CZ2-CG 3.81Å; W215-R219 HydrophobicContact CZ3-CG 4.4Å; W215-R219 WeakPolarHBondContact O-CB 3.49Å; W215-R219 WeakPolarHBondContact O-CG 3.22Å; W215-R219 PolarHBondContact O-N 3.46Å; W215-K221 HydrophobicContact CZ3-CD 4.15Å; W215-K221 VanDerWaalsContact CZ3-NZ 3.35Å
216	L	86.5	Confident	81.4	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-40	175.6	-72	174.5	0	0	0	111.9	E211 S212 L213 T214 G220 K221 K224 V225 L228	E211-L216 HydrophobicContact CB-CD1 4.2Å; E211-L216 HydrophobicContact CB-CD2 4.34Å; E211-L216 HydrophobicContact CB-CG 4.21Å; E211-L216 HydrophobicContact CG-CD2 4.11Å; E211-L216 HydrophobicContact CG-CG 4.09Å; S212-L216 VanDerWaalsContact O-CG 3.3Å; S212-L216 WeakPolarHBondContact O-CG 3.48Å; S212-L216 PolarHBondContact O-N 3.27Å; L213-L216 PolarHBondContact O-N 3.29Å; T214-L216 PolarHBondContact O-N 2.96Å; L216-G220 PolarHBondContact O-N 3.33Å; L216-K221 HydrophobicContact CD2-CB 3.97Å; L216-K221 HydrophobicContact CD2-CD 3.83Å; L216-K221 HydrophobicContact CD2-CG 4.5Å; L216-K221 PolarHBondContact O-N 3.48Å; L216-K224 HydrophobicContact CD1-CB 4.14Å; L216-K224 HydrophobicContact CD2-CB 4Å; L216-K224 HydrophobicContact CD2-CD 4.09Å; L216-V225 HydrophobicContact CB-CG2 3.54Å; L216-L228 HydrophobicContact CD1-CD2 3.95Å
217	V	83.7	Confident	82.8	Confident	44 Å²	44	63.7 Å²	63.7	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-49.1	176.1	172.1	0	0	0	0	110.8	L213 T214 W215 R219 G220 V225 I247	L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.24Å; T214-V217 PolarHBondContact O-N 3.47Å; W215-V217 VanDerWaalsContact C-N 3.33Å; W215-V217 PolarHBondContact O-N 3.33Å; V217-R219 VanDerWaalsContact C-N 3.25Å; V217-R219 PolarHBondContact O-N 3.22Å; V217-G220 PolarHBondContact O-N 2.87Å; V217-V225 HydrophobicContact CG2-CG1 4.13Å; V217-V225 HydrophobicContact CG2-CG2 3.82Å; V217-I247 HydrophobicContact CG1-CG2 4.05Å
218	Q	80.5	Confident	83.8	Confident	123 Å²	123	57.3 Å²	57.3	58%	0.575	30%	0.296	S	S	*	.	H	α-helix	trans	-60.4	-33.8	178.1	-73.4	174.2	-12.7	0	0	112.8	T214 W215 G220	T214-Q218 WeakPolarHBondContact O-CB 3.42Å; T214-Q218 WeakPolarHBondContact O-CG 3.31Å; T214-Q218 PolarHBondContact O-N 3.35Å; W215-Q218 PolarHBondContact O-N 2.93Å; Q218-G220 VanDerWaalsContact C-N 3.27Å; Q218-G220 PolarHBondContact O-N 3.43Å
219	R	84.4	Confident	84.5	Confident	131 Å²	131	58.8 Å²	58.8	49%	0.494	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.3	175.6	-69.3	-67.1	-173.5	-179.2	-5.9	114	D91 R92 W215 V217 K221	D91-R219 PolarHBondContact O-NH2 3.34Å; R92-R219 PolarHBondContact O-NH2 2.81Å; W215-R219 HydrophobicContact CD2-CG 3.94Å; W215-R219 HydrophobicContact CE3-CG 4.25Å; W215-R219 HydrophobicContact CH2-CG 4.21Å; W215-R219 HydrophobicContact CZ2-CG 3.81Å; W215-R219 HydrophobicContact CZ3-CG 4.4Å; W215-R219 WeakPolarHBondContact O-CB 3.49Å; W215-R219 WeakPolarHBondContact O-CG 3.22Å; W215-R219 PolarHBondContact O-N 3.46Å; V217-R219 VanDerWaalsContact C-N 3.25Å; V217-R219 PolarHBondContact O-N 3.22Å; R219-K221 HydrophobicContact CB-CD 4.35Å; R219-K221 HydrophobicContact CB-CG 4.12Å; R219-K221 PolarHBondContact O-N 3.08Å
220	G	82.5	Confident	84.8	Confident	32 Å²	32	61.3 Å²	61.3	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	22	-179	0	0	0	0	0	114.3	L216 V217 Q218 T222	L216-G220 PolarHBondContact O-N 3.33Å; V217-G220 PolarHBondContact O-N 2.87Å; Q218-G220 VanDerWaalsContact C-N 3.27Å; Q218-G220 PolarHBondContact O-N 3.43Å; G220-T222 PolarHBondContact O-N 2.9Å
221	K	85.3	Confident	84.8	Confident	80 Å²	80	64.4 Å²	64.4	35%	0.348	32%	0.315	S	S	.	.			trans	-81.6	58.9	-178.4	-66.6	-176.6	179.5	170.4	0	111.5	W215 L216 R219 A223 K224 V225	W215-K221 HydrophobicContact CZ3-CD 4.15Å; W215-K221 VanDerWaalsContact CZ3-NZ 3.35Å; L216-K221 HydrophobicContact CD2-CB 3.97Å; L216-K221 HydrophobicContact CD2-CD 3.83Å; L216-K221 HydrophobicContact CD2-CG 4.5Å; L216-K221 PolarHBondContact O-N 3.48Å; R219-K221 HydrophobicContact CB-CD 4.35Å; R219-K221 HydrophobicContact CB-CG 4.12Å; R219-K221 PolarHBondContact O-N 3.08Å; K221-A223 PolarHBondContact O-N 3.31Å; K221-K224 HydrophobicContact CB-CB 4.35Å; K221-K224 HydrophobicContact CD-CD 4.35Å; K221-K224 PolarHBondContact O-N 3.47Å; K221-V225 WeakPolarHBondContact O-CG2 3.26Å; K221-V225 PolarHBondContact O-N 2.91Å
222	T	81.4	Confident	84.7	Confident	68 Å²	68	65.3 Å²	65.3	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-51.2	-49.7	-172.7	54.2	0	0	0	0	113	G220 K224 V225 F226 M249	G220-T222 PolarHBondContact O-N 2.9Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.32Å; T222-V225 WeakPolarHBondContact O-CA 3.38Å; T222-V225 WeakPolarHBondContact O-CB 3.43Å; T222-V225 PolarHBondContact O-N 3.4Å; T222-F226 VanDerWaalsContact O-CD2 3.31Å; T222-F226 WeakPolarHBondContact O-CD2 3.27Å; T222-F226 PolarHBondContact O-N 3.5Å; T222-M249 HydrophobicContact CG2-SD 4.47Å
223	A	85.9	Confident	84.5	Confident	64 Å²	64	66.3 Å²	66.3	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-56	-40.3	179.3	0	0	0	0	0	113.1	K221 Q227	K221-A223 PolarHBondContact O-N 3.31Å; A223-Q227 WeakPolarHBondContact O-CG 3.42Å; A223-Q227 PolarHBondContact O-N 3.41Å
224	K	86.9	Confident	84.6	Confident	119 Å²	119	72.6 Å²	72.6	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-71.8	-37	176.9	-70	-171.7	177.9	-176	0	112	L216 K221 T222 Q227 L228	L216-K224 HydrophobicContact CD1-CB 4.14Å; L216-K224 HydrophobicContact CD2-CB 4Å; L216-K224 HydrophobicContact CD2-CD 4.09Å; K221-K224 HydrophobicContact CB-CB 4.35Å; K221-K224 HydrophobicContact CD-CD 4.35Å; K221-K224 PolarHBondContact O-N 3.47Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.32Å; K224-Q227 PolarHBondContact O-N 3.48Å; K224-L228 VanDerWaalsContact O-CB 3.27Å; K224-L228 WeakPolarHBondContact O-CB 3.41Å; K224-L228 PolarHBondContact O-N 2.91Å
225	V	86	Confident	84.6	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-48.5	173.7	174.6	0	0	0	0	110.3	L213 L216 V217 K221 T222 L228 R229 I247	L213-V225 HydrophobicContact CD1-CG1 3.89Å; L216-V225 HydrophobicContact CB-CG2 3.54Å; V217-V225 HydrophobicContact CG2-CG1 4.13Å; V217-V225 HydrophobicContact CG2-CG2 3.82Å; K221-V225 WeakPolarHBondContact O-CG2 3.26Å; K221-V225 PolarHBondContact O-N 2.91Å; T222-V225 WeakPolarHBondContact O-CA 3.38Å; T222-V225 WeakPolarHBondContact O-CB 3.43Å; T222-V225 PolarHBondContact O-N 3.4Å; V225-L228 PolarHBondContact O-N 3.16Å; V225-R229 HydrophobicContact CG1-CG 4.38Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 2.93Å; V225-I247 HydrophobicContact CG1-CD1 3.69Å
226	F	84.9	Confident	84.6	Confident	85 Å²	85	79.9 Å²	79.9	37%	0.373	39%	0.385	S	S	.	.	H	α-helix	trans	-60	-48	177.2	-87.6	-81.5	0	0	0	112.2	T222 L228 R229 K230 M244	T222-F226 VanDerWaalsContact O-CD2 3.31Å; T222-F226 WeakPolarHBondContact O-CD2 3.27Å; T222-F226 PolarHBondContact O-N 3.5Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 3.06Å; F226-R229 PolarHBondContact O-N 3.5Å; F226-K230 VanDerWaalsContact O-CB 3.28Å; F226-K230 WeakPolarHBondContact O-CB 3.47Å; F226-K230 PolarHBondContact O-N 2.99Å; F226-M244 HydrophobicContact CD1-SD 4.34Å; F226-M244 HydrophobicContact CE1-CB 3.73Å; F226-M244 HydrophobicContact CE1-SD 4.39Å; F226-M244 HydrophobicContact CZ-CB 4.37Å; F226-M244 VanDerWaalsContact CZ-O 3.28Å; F226-M244 WeakPolarHBondContact CZ-O 3.47Å
227	Q	86.4	Confident	84.3	Confident	139 Å²	139	82.9 Å²	82.9	65%	0.65	42%	0.417	S	S	*	.	H	α-helix	trans	-60.1	-41.8	177.2	-73.9	177.1	1.6	0	0	112.3	A223 K224 R231	A223-Q227 WeakPolarHBondContact O-CG 3.42Å; A223-Q227 PolarHBondContact O-N 3.41Å; K224-Q227 PolarHBondContact O-N 3.48Å; Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 2.8Å
228	L	85.6	Confident	84	Confident	18 Å²	18	89.5 Å²	89.5	9%	0.094	44%	0.438	C	S	.	.	H	α-helix	trans	-67	-47.9	179	178.6	54.1	0	0	0	111.8	P210 E211 L213 L216 K224 V225 F226 K230 R231 I232	P210-L228 HydrophobicContact CB-CD1 3.26Å; P210-L228 HydrophobicContact CB-CD2 3.91Å; P210-L228 HydrophobicContact CB-CG 4.24Å; P210-L228 HydrophobicContact CG-CD1 4.09Å; E211-L228 WeakPolarHBondContact O-CD2 3.31Å; L213-L228 HydrophobicContact CB-CD2 4.45Å; L213-L228 HydrophobicContact CD1-CD2 4.2Å; L216-L228 HydrophobicContact CD1-CD2 3.95Å; K224-L228 VanDerWaalsContact O-CB 3.27Å; K224-L228 WeakPolarHBondContact O-CB 3.41Å; K224-L228 PolarHBondContact O-N 2.91Å; V225-L228 PolarHBondContact O-N 3.16Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 3.06Å; L228-K230 VanDerWaalsContact C-N 3.33Å; L228-K230 PolarHBondContact O-N 3.22Å; L228-R231 WeakPolarHBondContact O-CB 3.47Å; L228-R231 PolarHBondContact O-N 3.29Å; L228-R231 VanDerWaalsContact O-N 3.11Å; L228-I232 HydrophobicContact CD1-CD1 4.03Å; L228-I232 HydrophobicContact CD1-CG1 4.26Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 WeakPolarHBondContact O-CG1 3.31Å; L228-I232 PolarHBondContact O-N 3.39Å
229	R	83.4	Confident	83.2	Confident	103 Å²	103	92.2 Å²	92.2	39%	0.389	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-42.8	176.6	-69.9	-177.1	92.4	-179	6.7	111.4	L213 V225 F226 R231 I232 A233	L213-R229 HydrophobicContact CD1-CG 4.24Å; V225-R229 HydrophobicContact CG1-CG 4.38Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 2.93Å; F226-R229 PolarHBondContact O-N 3.5Å; R229-R231 VanDerWaalsContact C-N 3.26Å; R229-R231 PolarHBondContact O-N 2.98Å; R229-I232 PolarHBondContact O-N 3.27Å; R229-A233 WeakPolarHBondContact O-CB 3.43Å; R229-A233 PolarHBondContact O-N 2.95Å
230	K	84.6	Confident	82	Confident	93 Å²	93	91.1 Å²	91.1	40%	0.404	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-35.6	174.9	-176.6	166.4	-173	136	0	112.6	F226 L228 R234 E240	F226-K230 VanDerWaalsContact O-CB 3.28Å; F226-K230 WeakPolarHBondContact O-CB 3.47Å; F226-K230 PolarHBondContact O-N 2.99Å; L228-K230 VanDerWaalsContact C-N 3.33Å; L228-K230 PolarHBondContact O-N 3.22Å; K230-R234 PolarHBondContact O-N 3.12Å; K230-E240 VanDerWaalsContact CD-OE1 3.31Å; K230-E240 WeakPolarHBondContact CD-OE1 3.46Å; K230-E240 WeakPolarHBondContact CE-OE1 3.48Å; K230-E240 WeakPolarHBondContact CG-OE1 3.24Å; K230-E240 IonicContact NZ-OE1 3.48Å; K230-E240 PolarHBondContact NZ-OE1 2.84Å
231	R	84.8	Confident	80.7	Confident	91 Å²	91	96.3 Å²	96.3	34%	0.343	46%	0.464	S	S	.	.	H	α-helix	trans	-68.4	-45.8	174.6	-173.3	-176	-172.6	165.2	13.3	111.4	R207 I208 Q227 L228 R229 R234 I235	R207-R231 PolarHBondContact O-NH1 2.89Å; R207-R231 PolarHBondContact O-NH2 2.96Å; I208-R231 VanDerWaalsContact CA-NH2 3.34Å; I208-R231 PolarHBondContact O-NH1 3.32Å; Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 2.8Å; L228-R231 WeakPolarHBondContact O-CB 3.47Å; L228-R231 PolarHBondContact O-N 3.29Å; L228-R231 VanDerWaalsContact O-N 3.11Å; R229-R231 VanDerWaalsContact C-N 3.26Å; R229-R231 PolarHBondContact O-N 2.98Å; R231-R234 PolarHBondContact O-N 3Å; R231-I235 HydrophobicContact CG-CD1 4.08Å; R231-I235 WeakPolarHBondContact O-CG1 3.22Å; R231-I235 PolarHBondContact O-N 2.93Å
232	I	84.1	Confident	79	Confident	48 Å²	48	97.2 Å²	97.2	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-63.6	-44.7	178.7	-65.7	166.8	0	0	0	110.7	L147 L228 R229 R234 I235 N236	L147-I232 HydrophobicContact CD1-CD1 3.88Å; L228-I232 HydrophobicContact CD1-CD1 4.03Å; L228-I232 HydrophobicContact CD1-CG1 4.26Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 WeakPolarHBondContact O-CG1 3.31Å; L228-I232 PolarHBondContact O-N 3.39Å; R229-I232 PolarHBondContact O-N 3.27Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 3.39Å; I232-I235 PolarHBondContact O-N 3.38Å; I232-I235 VanDerWaalsContact O-N 3.17Å; I232-N236 WeakPolarHBondContact O-CB 3.24Å; I232-N236 PolarHBondContact O-N 3.33Å
233	A	84.1	Confident	77.6	Confident	23 Å²	23	101.8 Å²	101.8	19%	0.19	50%	0.503	C	S	.	.	H	α-helix	trans	-58.3	-44.4	177.1	0	0	0	0	0	111.9	R229 N236 G237 R238	R229-A233 WeakPolarHBondContact O-CB 3.43Å; R229-A233 PolarHBondContact O-N 2.95Å; A233-N236 PolarHBondContact O-N 3.36Å; A233-G237 PolarHBondContact O-N 3.05Å; A233-R238 PolarHBondContact O-N 3.4Å
234	R	85.9	Confident	75.8	Confident	186 Å²	186	100.3 Å²	100.3	70%	0.702	49%	0.486	S	S	*	.	H	α-helix	trans	-60.7	-43.9	173.7	-95.5	-172.5	-77.5	171.7	-8	113.2	K230 R231 I232 N236 G237	K230-R234 PolarHBondContact O-N 3.12Å; R231-R234 PolarHBondContact O-N 3Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 3.39Å; R234-N236 VanDerWaalsContact C-N 3.34Å; R234-G237 PolarHBondContact O-N 3.43Å
235	I	83.8	Confident	74.1	Confident	114 Å²	114	100.4 Å²	100.4	59%	0.585	50%	0.5	S	S	*	.	H	α-helix	trans	-66.4	-38.7	179.3	-67.7	167.3	0	0	0	110.8	R231 I232 G237	R231-I235 HydrophobicContact CG-CD1 4.08Å; R231-I235 WeakPolarHBondContact O-CG1 3.22Å; R231-I235 PolarHBondContact O-N 2.93Å; I232-I235 PolarHBondContact O-N 3.38Å; I232-I235 VanDerWaalsContact O-N 3.17Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.49Å
236	N	85.1	Confident	72.5	Confident	107 Å²	107	108.5 Å²	108.5	57%	0.572	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0.2	-179.8	-68.8	-9.1	0	0	0	113.7	I232 A233 R234 R238	I232-N236 WeakPolarHBondContact O-CB 3.24Å; I232-N236 PolarHBondContact O-N 3.33Å; A233-N236 PolarHBondContact O-N 3.36Å; R234-N236 VanDerWaalsContact C-N 3.34Å; N236-R238 PolarHBondContact O-N 3.46Å
237	G	81.7	Confident	71.1	Confident	70 Å²	70	106.7 Å²	106.7	72%	0.722	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	19.5	-178.3	0	0	0	0	0	114.8	A233 R234 I235	A233-G237 PolarHBondContact O-N 3.05Å; R234-G237 PolarHBondContact O-N 3.43Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.49Å
238	R	77.6	Confident	69.4	Low	183 Å²	183	105.6 Å²	105.6	69%	0.691	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-96.8	139.5	178.5	-68	-168.5	179.2	-150.2	0.4	110.5	A233 N236	A233-R238 PolarHBondContact O-N 3.4Å; N236-R238 PolarHBondContact O-N 3.46Å
239	Q	62.6	Low	67.7	Low	179 Å²	179	110.1 Å²	110.1	84%	0.836	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-71.1	152.2	176.6	-69.6	-172	-6	0	0	111.7	F241	Q239-F241 PolarHBondContact O-N 3.25Å
240	E	59.2	Low	66.2	Low	109 Å²	109	108.6 Å²	108.6	51%	0.509	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-61.1	117.7	-179.9	-70.5	179.8	173.5	0	0	110	K230 A242 M244	K230-E240 VanDerWaalsContact CD-OE1 3.31Å; K230-E240 WeakPolarHBondContact CD-OE1 3.46Å; K230-E240 WeakPolarHBondContact CE-OE1 3.48Å; K230-E240 WeakPolarHBondContact CG-OE1 3.24Å; K230-E240 IonicContact NZ-OE1 3.48Å; K230-E240 PolarHBondContact NZ-OE1 2.84Å; E240-A242 PolarHBondContact O-N 3.27Å; E240-M244 HydrophobicContact CB-CE 3.74Å; E240-M244 HydrophobicContact CG-CE 4.1Å
241	F	54.8	Low	64.2	Low	141 Å²	141	113.7 Å²	113.7	62%	0.618	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-75.8	120.9	168.7	-76.7	-87.3	0	0	0	109.1	Q239 E243 M244	Q239-F241 PolarHBondContact O-N 3.25Å; F241-E243 PolarHBondContact O-N 3.4Å; F241-E243 VanDerWaalsContact O-N 3.13Å; F241-M244 VanDerWaalsContact O-CE 3.29Å; F241-M244 WeakPolarHBondContact O-CE 3.29Å; F241-M244 VanDerWaalsContact O-CG 3.29Å; F241-M244 WeakPolarHBondContact O-CG 3.35Å; F241-M244 PolarHBondContact O-N 3.38Å
242	A	50.4	Low	62.1	Low	98 Å²	98	118.4 Å²	118.4	81%	0.81	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-61.3	-15.6	177.2	0	0	0	0	0	113.7	E240 M244	E240-A242 PolarHBondContact O-N 3.27Å; A242-M244 PolarHBondContact O-N 3Å
243	E	51.1	Low	59.8	Low	164 Å²	164	123.3 Å²	123.3	77%	0.766	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-62	-3	172.6	-73.8	173.6	161.4	0	0	113.8	F241 C245 E246	F241-E243 PolarHBondContact O-N 3.4Å; F241-E243 VanDerWaalsContact O-N 3.13Å; E243-C245 PolarHBondContact O-N 2.84Å; E243-E246 PolarHBondContact O-N 2.83Å
244	M	48.8	Very low	57.4	Low	34 Å²	34	129.6 Å²	129.6	17%	0.167	66%	0.662	C	S	.	*	G	3₁₀ helix	trans	-60.4	-12.3	176.5	-79.5	-172.6	-75.5	0	0	115.5	F226 E240 F241 A242 E246	F226-M244 HydrophobicContact CD1-SD 4.34Å; F226-M244 HydrophobicContact CE1-CB 3.73Å; F226-M244 HydrophobicContact CE1-SD 4.39Å; F226-M244 HydrophobicContact CZ-CB 4.37Å; F226-M244 VanDerWaalsContact CZ-O 3.28Å; F226-M244 WeakPolarHBondContact CZ-O 3.47Å; E240-M244 HydrophobicContact CB-CE 3.74Å; E240-M244 HydrophobicContact CG-CE 4.1Å; F241-M244 VanDerWaalsContact O-CE 3.29Å; F241-M244 WeakPolarHBondContact O-CE 3.29Å; F241-M244 VanDerWaalsContact O-CG 3.29Å; F241-M244 WeakPolarHBondContact O-CG 3.35Å; F241-M244 PolarHBondContact O-N 3.38Å; A242-M244 PolarHBondContact O-N 3Å; M244-E246 VanDerWaalsContact C-N 3.33Å; M244-E246 PolarHBondContact O-N 2.81Å
245	C	50.6	Low	55.3	Low	121 Å²	121	126.3 Å²	126.3	82%	0.818	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-71.8	-23.2	-179.4	-112.7	0	0	0	0	114.1	E243	E243-C245 PolarHBondContact O-N 2.84Å
246	E	52.9	Low	53.1	Low	172 Å²	172	126.2 Å²	126.2	80%	0.804	67%	0.665	S	S	*	*			trans	-107	71.8	-179.1	-66.3	-177.2	-174.8	0	0	110.1	E243 M244 P248	E243-E246 PolarHBondContact O-N 2.83Å; M244-E246 VanDerWaalsContact C-N 3.33Å; M244-E246 PolarHBondContact O-N 2.81Å; E246-P248 VanDerWaalsContact O-CD 3.29Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å
247	I	55.2	Low	51.1	Low	48 Å²	48	125.6 Å²	125.6	25%	0.246	67%	0.674	C	S	.	*			trans	-84	109.6	153.3	-57.6	173.2	0	0	0	103.8	V217 V225 M249	V217-I247 HydrophobicContact CG1-CG2 4.05Å; V225-I247 HydrophobicContact CG1-CD1 3.69Å; I247-M249 VanDerWaalsContact C-N 3.29Å; I247-M249 PolarHBondContact O-N 3.24Å
248	P	51	Low	49.5	Very low	115 Å²	115	129.3 Å²	129.3	75%	0.747	67%	0.673	S	S	*	*			trans	-57.3	106.2	167.5	-11.1	24.8	0	0	0	104.7	E246 A250	E246-P248 VanDerWaalsContact O-CD 3.29Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-A250 PolarHBondContact O-N 3.4Å; P248-A250 VanDerWaalsContact O-N 3.08Å
249	M	49.3	Very low	48.3	Very low	114 Å²	114	121.7 Å²	121.7	56%	0.562	65%	0.649	S	S	*	*			trans	-57	125.1	170.5	-72.4	-170.7	67.3	0	0	104.3	T222 I247 R251	T222-M249 HydrophobicContact CG2-SD 4.47Å; I247-M249 VanDerWaalsContact C-N 3.29Å; I247-M249 PolarHBondContact O-N 3.24Å; M249-R251 PolarHBondContact O-N 2.95Å
250	A	51.7	Low	48.1	Very low	70 Å²	70	115.3 Å²	115.3	58%	0.579	62%	0.624	S	S	*	*			trans	-62.1	82	163.5	0	0	0	0	0	105.9	P248	P248-A250 PolarHBondContact O-N 3.4Å; P248-A250 VanDerWaalsContact O-N 3.08Å
251	R	42.8	Very low	48.3	Very low	200 Å²	200	113 Å²	113	76%	0.755	62%	0.615	S	S	*	*			trans	-48.8	139.9	148.8	-81.2	-179	168.1	178.8	-2.7	104.1	M249 E253	M249-R251 PolarHBondContact O-N 2.95Å; R251-E253 HydrophobicContact CB-CG 4.29Å; R251-E253 PolarHBondContact O-N 3.15Å
252	E	42.2	Very low	48.9	Very low	190 Å²	190	112.5 Å²	112.5	89%	0.888	62%	0.617	S	S	*	*			trans	-63.3	44.5	173	-68.5	170.6	142.9	0	0	111.3	N254	E252-N254 VanDerWaalsContact C-N 3.25Å; E252-N254 PolarHBondContact O-N 2.75Å
253	E	35.1	Very low	49.9	Very low	152 Å²	152	110.9 Å²	110.9	71%	0.71	60%	0.595	S	S	*	*			trans	-63.7	95.6	163.7	-77.9	-174.4	-179.9	0	0	106.2	R251 I255	R251-E253 HydrophobicContact CB-CG 4.29Å; R251-E253 PolarHBondContact O-N 3.15Å; E253-I255 VanDerWaalsContact C-N 3.32Å; E253-I255 PolarHBondContact O-N 3.12Å
254	N	33.6	Very low	50.8	Low	154 Å²	154	103.1 Å²	103.1	82%	0.824	56%	0.558	S	S	*	*			trans	24.4	70.4	157.8	-70	-33.8	0	0	0	112.1	E252 P256	E252-N254 VanDerWaalsContact C-N 3.25Å; E252-N254 PolarHBondContact O-N 2.75Å; N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.5Å
255	I	41.8	Very low	52.1	Low	117 Å²	117	106 Å²	106	60%	0.6	57%	0.574	S	S	*	*			trans	-50.1	112.9	167.3	-61.1	166.8	0	0	0	103.7	E253 A257	E253-I255 VanDerWaalsContact C-N 3.32Å; E253-I255 PolarHBondContact O-N 3.12Å; I255-A257 PolarHBondContact O-N 3.46Å
256	P	37.3	Very low	53.5	Low	113 Å²	113	109.5 Å²	109.5	73%	0.734	57%	0.57	S	S	*	*			trans	-51.6	120.5	-173.4	17.6	-29.5	0	0	0	105.4	N254 H258	N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.5Å; P256-H258 WeakPolarHBondContact O-CA 3.34Å; P256-H258 PolarHBondContact O-N 3.36Å
257	A	43.5	Very low	54.9	Low	94 Å²	94	107.3 Å²	107.3	78%	0.777	56%	0.56	S	S	*	*			trans	-36.2	110.9	-170.2	0	0	0	0	0	107.2	I255 A259	I255-A257 PolarHBondContact O-N 3.46Å; A257-A259 WeakPolarHBondContact O-CA 3.47Å; A257-A259 PolarHBondContact O-N 3.36Å
258	H	48.7	Very low	56.4	Low	148 Å²	148	114.1 Å²	114.1	69%	0.685	59%	0.588	S	S	*	*			trans	-40.4	111.7	-170	-80.3	55.9	0	0	0	106.4	P256 S260	P256-H258 WeakPolarHBondContact O-CA 3.34Å; P256-H258 PolarHBondContact O-N 3.36Å; H258-S260 WeakPolarHBondContact O-CA 3.48Å; H258-S260 PolarHBondContact O-N 3.13Å
259	A	51.1	Low	58.1	Low	23 Å²	23	119.3 Å²	119.3	19%	0.19	59%	0.592	C	S	.	*			trans	-43.9	114.6	-168.3	0	0	0	0	0	106.8	A257 E420 C421	A257-A259 WeakPolarHBondContact O-CA 3.47Å; A257-A259 PolarHBondContact O-N 3.36Å; A259-E420 HydrophobicContact CB-CB 4.07Å; A259-C421 WeakPolarHBondContact CB-SG 3.27Å
260	S	59.1	Low	59.7	Low	44 Å²	44	115.9 Å²	115.9	31%	0.308	58%	0.576	S	S	.	*			trans	-67.3	149.8	-161.8	71.3	0	0	0	0	106.9	H258 I262 D263 L264	H258-S260 WeakPolarHBondContact O-CA 3.48Å; H258-S260 PolarHBondContact O-N 3.13Å; S260-I262 PolarHBondContact O-N 3.27Å; S260-I262 WeakPolarHBondContact OG-CB 3.43Å; S260-D263 PolarHBondContact N-OD2 2.6Å; S260-D263 WeakPolarHBondContact O-CA 3.27Å; S260-D263 VanDerWaalsContact O-CB 3.31Å; S260-D263 WeakPolarHBondContact O-CB 3.36Å; S260-D263 PolarHBondContact O-N 3.3Å; S260-D263 PolarHBondContact OG-N 3.24Å; S260-D263 PolarHBondContact OG-OD2 3.14Å; S260-L264 PolarHBondContact O-N 3.12Å
261	L	62.8	Low	61.4	Low	62 Å²	62	113.2 Å²	113.2	33%	0.325	55%	0.554	S	S	.	*	H	α-helix	trans	-52.5	-24.7	172.4	-82.8	152.7	0	0	0	112.5	D263 L264 L265 A424 I428	L261-D263 VanDerWaalsContact C-N 3.32Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.5Å; L261-L265 PolarHBondContact O-N 2.88Å; L261-A424 HydrophobicContact CD1-CB 4.17Å; L261-A424 HydrophobicContact CD2-CB 4.02Å; L261-A424 HydrophobicContact CG-CB 3.91Å; L261-I428 HydrophobicContact CD1-CD1 3.66Å; L261-I428 HydrophobicContact CD1-CG1 4.4Å; L261-I428 HydrophobicContact CD2-CD1 3.29Å; L261-I428 HydrophobicContact CD2-CG1 4.26Å; L261-I428 HydrophobicContact CG-CD1 4.03Å
262	I	69.2	Low	63.6	Low	129 Å²	129	108.8 Å²	108.8	66%	0.662	55%	0.545	S	S	*	.	H	α-helix	trans	-64.1	-38.1	174.1	-51.7	173.3	0	0	0	110.6	S260 L265 R266	S260-I262 PolarHBondContact O-N 3.27Å; S260-I262 WeakPolarHBondContact OG-CB 3.43Å; I262-L265 PolarHBondContact O-N 3.25Å; I262-R266 PolarHBondContact O-N 3.42Å
263	D	69.4	Low	65.8	Low	64 Å²	64	101.7 Å²	101.7	34%	0.342	51%	0.514	S	S	.	.	H	α-helix	trans	-67.4	-37.2	176	-60.1	-50.7	0	0	0	111.8	S260 L261 L265 R266	S260-D263 PolarHBondContact N-OD2 2.6Å; S260-D263 WeakPolarHBondContact O-CA 3.27Å; S260-D263 VanDerWaalsContact O-CB 3.31Å; S260-D263 WeakPolarHBondContact O-CB 3.36Å; S260-D263 PolarHBondContact O-N 3.3Å; S260-D263 PolarHBondContact OG-N 3.24Å; S260-D263 PolarHBondContact OG-OD2 3.14Å; L261-D263 VanDerWaalsContact C-N 3.32Å; D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.45Å; D263-R266 VanDerWaalsContact O-CB 3.29Å; D263-R266 WeakPolarHBondContact O-CB 3.46Å; D263-R266 PolarHBondContact O-N 2.89Å
264	L	70.8	Confident	68.3	Low	1 Å²	1	95.2 Å²	95.2	1%	0.005	48%	0.484	C	S	.	.	H	α-helix	trans	-59.9	-43.1	174.1	-164.6	91.6	0	0	0	111.5	S260 L261 R266 L270 F274 L417 P418 C421	S260-L264 PolarHBondContact O-N 3.12Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 3.24Å; L264-R266 VanDerWaalsContact C-N 3.32Å; L264-L270 HydrophobicContact CD1-CD1 4.17Å; L264-L270 HydrophobicContact CD1-CD2 3.6Å; L264-L270 HydrophobicContact CD1-CG 3.8Å; L264-L270 HydrophobicContact CG-CD2 4.05Å; L264-L270 HydrophobicContact CG-CG 4.01Å; L264-F274 HydrophobicContact CD2-CB 3.78Å; L264-F274 HydrophobicContact CD2-CD1 3.78Å; L264-F274 HydrophobicContact CD2-CD2 3.6Å; L264-F274 HydrophobicContact CD2-CE1 4.25Å; L264-F274 HydrophobicContact CD2-CE2 4.1Å; L264-F274 HydrophobicContact CD2-CG 3.4Å; L264-F274 VanDerWaalsContact CD2-CG 3.4Å; L264-F274 HydrophobicContact CD2-CZ 4.39Å; L264-L417 HydrophobicContact CD1-CD2 4.41Å; L264-P418 HydrophobicContact CD1-CG 4.4Å; L264-C421 HydrophobicContact CD1-CB 3.52Å
265	L	76.4	Confident	71	Confident	96 Å²	96	91.6 Å²	91.6	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-76.9	-18.5	-179.5	-66.4	175.6	0	0	0	113.1	L261 I262 D263 H267 A271 F274	L261-L265 WeakPolarHBondContact O-CG 3.5Å; L261-L265 PolarHBondContact O-N 2.88Å; I262-L265 PolarHBondContact O-N 3.25Å; D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.45Å; L265-H267 VanDerWaalsContact C-N 3.31Å; L265-H267 PolarHBondContact O-N 3.02Å; L265-A271 HydrophobicContact CD2-CB 4.16Å; L265-F274 HydrophobicContact CD2-CD1 4.18Å; L265-F274 HydrophobicContact CD2-CE1 4.44Å
266	R	79.8	Confident	73.3	Confident	194 Å²	194	90.9 Å²	90.9	73%	0.732	46%	0.464	S	S	*	.	H	α-helix	trans	-64.4	-36.2	179.8	-148	176	-153.5	-175.5	4.5	112.3	I262 D263 L264	I262-R266 PolarHBondContact O-N 3.42Å; D263-R266 VanDerWaalsContact O-CB 3.29Å; D263-R266 WeakPolarHBondContact O-CB 3.46Å; D263-R266 PolarHBondContact O-N 2.89Å; L264-R266 VanDerWaalsContact C-N 3.32Å
267	H	83	Confident	75.8	Confident	126 Å²	126	85.8 Å²	85.8	58%	0.583	43%	0.431	S	S	*	.	S	Bend	trans	-91.4	106.7	179.5	-68.8	-71	0	0	0	111.2	L265 R269 L270 A271	L265-H267 VanDerWaalsContact C-N 3.31Å; L265-H267 PolarHBondContact O-N 3.02Å; H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.46Å; H267-L270 HydrophobicContact CB-CB 3.99Å; H267-L270 PolarHBondContact O-N 3.47Å; H267-A271 WeakPolarHBondContact O-CB 3.47Å; H267-A271 PolarHBondContact O-N 2.97Å
268	K	85.3	Confident	78.1	Confident	191 Å²	191	81.7 Å²	81.7	83%	0.83	40%	0.398	S	S	*	.	H	α-helix	trans	-46.4	-43.9	-174.9	-66.4	-174.1	178.4	-177	0	115.1	L272	K268-L272 WeakPolarHBondContact O-CB 3.48Å; K268-L272 PolarHBondContact O-N 3.29Å
269	R	87	Confident	80.2	Confident	224 Å²	224	81.9 Å²	81.9	85%	0.845	39%	0.393	S	S	*	.	H	α-helix	trans	-70.3	-39.6	-179.8	-70.2	-175.9	-179.7	176.2	0.5	112.7	H267 T273	H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.46Å; R269-T273 WeakPolarHBondContact O-CB 3.4Å; R269-T273 PolarHBondContact O-N 3.03Å; R269-T273 PolarHBondContact O-OG1 3.42Å
270	L	84	Confident	82.2	Confident	41 Å²	41	82 Å²	82	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-70	-44.1	177.4	-176.5	59.4	0	0	0	110.3	L264 H267 L272 T273 F274 P418	L264-L270 HydrophobicContact CD1-CD1 4.17Å; L264-L270 HydrophobicContact CD1-CD2 3.6Å; L264-L270 HydrophobicContact CD1-CG 3.8Å; L264-L270 HydrophobicContact CG-CD2 4.05Å; L264-L270 HydrophobicContact CG-CG 4.01Å; H267-L270 HydrophobicContact CB-CB 3.99Å; H267-L270 PolarHBondContact O-N 3.47Å; L270-L272 PolarHBondContact O-N 3.12Å; L270-T273 PolarHBondContact O-N 3.38Å; L270-F274 VanDerWaalsContact O-CB 3.3Å; L270-F274 WeakPolarHBondContact O-CB 3.37Å; L270-F274 PolarHBondContact O-N 3.26Å; L270-P418 HydrophobicContact CD1-CG 4.31Å; L270-P418 HydrophobicContact CD2-CG 4.17Å
271	A	86.7	Confident	83.8	Confident	15 Å²	15	80 Å²	80	12%	0.124	38%	0.376	C	S	.	.	H	α-helix	trans	-55.1	-49.9	172.4	0	0	0	0	0	111.5	L265 H267 T273 F274 T275	L265-A271 HydrophobicContact CD2-CB 4.16Å; H267-A271 WeakPolarHBondContact O-CB 3.47Å; H267-A271 PolarHBondContact O-N 2.97Å; A271-T273 PolarHBondContact O-N 3.29Å; A271-F274 PolarHBondContact O-N 3.38Å; A271-T275 WeakPolarHBondContact O-CB 3.29Å; A271-T275 PolarHBondContact O-N 3.2Å; A271-T275 PolarHBondContact O-OG1 3.46Å
272	L	90	Very high	85.3	Confident	107 Å²	107	79.6 Å²	79.6	56%	0.56	37%	0.374	S	S	*	.	H	α-helix	trans	-59.5	-46	176.8	-179.8	65.7	0	0	0	112	K268 L270 F274 T275 L276	K268-L272 WeakPolarHBondContact O-CB 3.48Å; K268-L272 PolarHBondContact O-N 3.29Å; L270-L272 PolarHBondContact O-N 3.12Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 2.83Å; L272-T275 PolarHBondContact O-N 2.7Å; L272-L276 HydrophobicContact CD1-CD1 4.2Å; L272-L276 HydrophobicContact CD1-CG 4.26Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 HydrophobicContact CG-CG 4.46Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.16Å; L272-L276 PolarHBondContact O-N 3.5Å
273	T	87.7	Confident	86.4	Confident	40 Å²	40	75.6 Å²	75.6	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-45.8	179.8	-57	0	0	0	0	110.5	R269 L270 A271 L276 T277 M416	R269-T273 WeakPolarHBondContact O-CB 3.4Å; R269-T273 PolarHBondContact O-N 3.03Å; R269-T273 PolarHBondContact O-OG1 3.42Å; L270-T273 PolarHBondContact O-N 3.38Å; A271-T273 PolarHBondContact O-N 3.29Å; T273-L276 PolarHBondContact O-N 2.95Å; T273-T277 PolarHBondContact O-N 3.3Å; T273-T277 PolarHBondContact O-OG1 2.9Å; T273-M416 HydrophobicContact CG2-CB 4.38Å; T273-M416 HydrophobicContact CG2-SD 4.47Å
274	F	86.9	Confident	87.5	Confident	16 Å²	16	72.6 Å²	72.6	7%	0.07	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-48.7	175.9	169.2	-107.2	0	0	0	112.4	L264 L265 L270 A271 L272 L276 T277 A278 L417 I428	L264-F274 HydrophobicContact CD2-CB 3.78Å; L264-F274 HydrophobicContact CD2-CD1 3.78Å; L264-F274 HydrophobicContact CD2-CD2 3.6Å; L264-F274 HydrophobicContact CD2-CE1 4.25Å; L264-F274 HydrophobicContact CD2-CE2 4.1Å; L264-F274 HydrophobicContact CD2-CG 3.4Å; L264-F274 VanDerWaalsContact CD2-CG 3.4Å; L264-F274 HydrophobicContact CD2-CZ 4.39Å; L265-F274 HydrophobicContact CD2-CD1 4.18Å; L265-F274 HydrophobicContact CD2-CE1 4.44Å; L270-F274 VanDerWaalsContact O-CB 3.3Å; L270-F274 WeakPolarHBondContact O-CB 3.37Å; L270-F274 PolarHBondContact O-N 3.26Å; A271-F274 PolarHBondContact O-N 3.38Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 PolarHBondContact O-N 2.83Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 3.47Å; F274-T277 PolarHBondContact O-N 2.96Å; F274-A278 WeakPolarHBondContact O-CB 3.41Å; F274-A278 PolarHBondContact O-N 3.48Å; F274-L417 HydrophobicContact CD2-CD2 4.09Å; F274-I428 HydrophobicContact CE2-CB 4.18Å; F274-I428 HydrophobicContact CE2-CG2 4.43Å; F274-I428 HydrophobicContact CZ-CB 3.75Å; F274-I428 HydrophobicContact CZ-CD1 3.93Å; F274-I428 HydrophobicContact CZ-CG1 4.43Å; F274-I428 HydrophobicContact CZ-CG2 3.66Å
275	T	89.8	Confident	88.6	Confident	79 Å²	79	72.5 Å²	72.5	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-41.5	177.9	-57.9	0	0	0	0	111.5	A271 L272 A278 Y279	A271-T275 WeakPolarHBondContact O-CB 3.29Å; A271-T275 PolarHBondContact O-N 3.2Å; A271-T275 PolarHBondContact O-OG1 3.46Å; L272-T275 PolarHBondContact O-N 2.7Å; T275-A278 PolarHBondContact O-N 3.38Å; T275-Y279 WeakPolarHBondContact O-CB 3.21Å; T275-Y279 PolarHBondContact O-N 2.95Å
276	L	91	Very high	89.4	Confident	102 Å²	102	70.7 Å²	70.7	53%	0.534	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.5	-70.9	173	0	0	0	111.9	L272 T273 F274 N280	L272-L276 HydrophobicContact CD1-CD1 4.2Å; L272-L276 HydrophobicContact CD1-CG 4.26Å; L272-L276 HydrophobicContact CG-CD1 4.01Å; L272-L276 HydrophobicContact CG-CG 4.46Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.16Å; L272-L276 PolarHBondContact O-N 3.5Å; T273-L276 PolarHBondContact O-N 2.95Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 3.47Å; L276-N280 VanDerWaalsContact O-CB 3.3Å; L276-N280 WeakPolarHBondContact O-CB 3.49Å; L276-N280 PolarHBondContact O-N 3.04Å
277	T	89.8	Confident	90	Very high	5 Å²	5	63 Å²	63	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-43.5	174.7	-58.4	0	0	0	0	111.7	T273 F274 Y279 N280 W281 A413	T273-T277 PolarHBondContact O-N 3.3Å; T273-T277 PolarHBondContact O-OG1 2.9Å; F274-T277 PolarHBondContact O-N 2.96Å; T277-Y279 PolarHBondContact O-N 3.45Å; T277-N280 WeakPolarHBondContact O-CB 3.32Å; T277-N280 PolarHBondContact O-N 3.16Å; T277-W281 PolarHBondContact O-N 3.2Å; T277-A413 HydrophobicContact CG2-CB 3.89Å
278	A	91.3	Very high	90.5	Very high	9 Å²	9	58.9 Å²	58.9	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-41.9	177	0	0	0	0	0	112	F274 T275 W281 L282 C432	F274-A278 WeakPolarHBondContact O-CB 3.41Å; F274-A278 PolarHBondContact O-N 3.48Å; T275-A278 PolarHBondContact O-N 3.38Å; A278-W281 PolarHBondContact O-N 2.91Å; A278-L282 PolarHBondContact O-N 3.28Å; A278-C432 HydrophobicContact CB-CB 4.35Å
279	Y	93	Very high	90.8	Very high	151 Å²	151	51.6 Å²	51.6	59%	0.592	25%	0.254	S	S	*	.	H	α-helix	trans	-64.1	-40.5	174.2	179.4	-106.2	0	0	0	112.2	T275 T277 L282 T283	T275-Y279 WeakPolarHBondContact O-CB 3.21Å; T275-Y279 PolarHBondContact O-N 2.95Å; T277-Y279 PolarHBondContact O-N 3.45Å; Y279-L282 PolarHBondContact O-N 2.91Å; Y279-T283 HydrophobicContact CD1-CG2 4.45Å; Y279-T283 HydrophobicContact CD2-CG2 4.24Å; Y279-T283 HydrophobicContact CE1-CG2 3.96Å; Y279-T283 HydrophobicContact CE2-CG2 3.72Å; Y279-T283 PolarHBondContact O-N 3.3Å; Y279-T283 PolarHBondContact O-OG1 2.98Å
280	N	92.7	Very high	90.9	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.139	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-43	174.9	178.1	-104.4	0	0	0	111.9	L276 T277 T283 G284 Y337	L276-N280 VanDerWaalsContact O-CB 3.3Å; L276-N280 WeakPolarHBondContact O-CB 3.49Å; L276-N280 PolarHBondContact O-N 3.04Å; T277-N280 WeakPolarHBondContact O-CB 3.32Å; T277-N280 PolarHBondContact O-N 3.16Å; N280-T283 PolarHBondContact O-OG1 3.41Å; N280-G284 WeakPolarHBondContact O-CA 3.49Å; N280-G284 PolarHBondContact O-N 3.44Å; N280-Y337 WeakPolarHBondContact ND2-CE2 3.4Å
281	W	93	Very high	91.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-41.6	176	-83.9	49.5	0	0	0	112.4	T277 A278 A285 A409 Y410 A413 T426 C429 S430	T277-W281 PolarHBondContact O-N 3.2Å; A278-W281 PolarHBondContact O-N 2.91Å; W281-A285 WeakPolarHBondContact O-CB 3.45Å; W281-A285 PolarHBondContact O-N 2.93Å; W281-A409 PolarHBondContact NE1-O 2.94Å; W281-Y410 AromaticContact CH2-CD1 3.43Å; W281-Y410 HydrophobicContact CH2-CD1 3.43Å; W281-Y410 VanDerWaalsContact CH2-CD1 3.43Å; W281-Y410 AromaticContact CH2-CE1 3.47Å; W281-Y410 HydrophobicContact CH2-CE1 3.47Å; W281-Y410 VanDerWaalsContact CH2-CE1 3.47Å; W281-Y410 HydrophobicContact CH2-CG 4.04Å; W281-Y410 HydrophobicContact CZ2-CD1 4.02Å; W281-Y410 HydrophobicContact CZ2-CE1 4.4Å; W281-Y410 HydrophobicContact CZ2-CG 4.2Å; W281-Y410 HydrophobicContact CZ3-CD1 4.1Å; W281-Y410 AromaticContact CZ3-CE1 3.65Å; W281-Y410 HydrophobicContact CZ3-CE1 3.65Å; W281-Y410 AromaticContact CZ3-CZ 3.92Å; W281-A413 HydrophobicContact CZ2-CB 3.54Å; W281-T426 HydrophobicContact CH2-CG2 3.96Å; W281-T426 HydrophobicContact CZ2-CG2 4.4Å; W281-C429 HydrophobicContact CB-CB 4.44Å; W281-C429 WeakPolarHBondContact CB-O 3.2Å; W281-C429 HydrophobicContact CD2-CB 3.67Å; W281-C429 HydrophobicContact CE3-CB 3.91Å; W281-C429 HydrophobicContact CG-CB 3.93Å; W281-C429 HydrophobicContact CZ2-CB 4.39Å; W281-C429 HydrophobicContact CZ3-CB 4.38Å; W281-S430 VanDerWaalsContact CZ3-CA 3.46Å
282	L	93.9	Very high	91.2	Very high	55 Å²	55	41.8 Å²	41.8	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-54	176.8	-175.8	153.4	0	0	0	111.5	A278 Y279 A285 M286 C432	A278-L282 PolarHBondContact O-N 3.28Å; Y279-L282 PolarHBondContact O-N 2.91Å; L282-A285 PolarHBondContact O-N 3.03Å; L282-M286 WeakPolarHBondContact O-CB 3.37Å; L282-M286 PolarHBondContact O-N 3.34Å; L282-C432 WeakPolarHBondContact CA-O 3.15Å; L282-C432 HydrophobicContact CB-CB 4.28Å; L282-C432 WeakPolarHBondContact CB-O 3.46Å
283	T	93.2	Very high	91.1	Very high	45 Å²	45	39.7 Å²	39.7	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-68.4	-39.4	-178.2	51	0	0	0	0	112.2	Y279 N280 M286 A287	Y279-T283 HydrophobicContact CD1-CG2 4.45Å; Y279-T283 HydrophobicContact CD2-CG2 4.24Å; Y279-T283 HydrophobicContact CE1-CG2 3.96Å; Y279-T283 HydrophobicContact CE2-CG2 3.72Å; Y279-T283 PolarHBondContact O-N 3.3Å; Y279-T283 PolarHBondContact O-OG1 2.98Å; N280-T283 PolarHBondContact O-OG1 3.41Å; T283-M286 PolarHBondContact O-N 3.47Å; T283-A287 WeakPolarHBondContact O-CB 3.26Å; T283-A287 PolarHBondContact O-N 3.3Å
284	G	93.1	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174.6	0	0	0	0	0	112.6	N280 A287 Y288 Y337	N280-G284 WeakPolarHBondContact O-CA 3.49Å; N280-G284 PolarHBondContact O-N 3.44Å; G284-A287 PolarHBondContact O-N 3.37Å; G284-Y288 VanDerWaalsContact O-CB 3.26Å; G284-Y288 WeakPolarHBondContact O-CB 3.34Å; G284-Y288 PolarHBondContact O-N 3.43Å; G284-Y337 WeakPolarHBondContact CA-OH 3.13Å
285	A	93.3	Very high	91	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-42	176.5	0	0	0	0	0	111.8	W281 L282 A287 Y288 Y289 Y406 S433	W281-A285 WeakPolarHBondContact O-CB 3.45Å; W281-A285 PolarHBondContact O-N 2.93Å; L282-A285 PolarHBondContact O-N 3.03Å; A285-A287 PolarHBondContact O-N 2.96Å; A285-Y288 PolarHBondContact O-N 2.95Å; A285-Y289 HydrophobicContact CB-CD2 4.19Å; A285-Y289 HydrophobicContact CB-CE2 4.32Å; A285-Y289 WeakPolarHBondContact O-CB 3.23Å; A285-Y289 WeakPolarHBondContact O-CD2 3.37Å; A285-Y289 PolarHBondContact O-N 3.45Å; A285-Y406 HydrophobicContact CB-CE2 3.8Å; A285-S433 WeakPolarHBondContact CB-O 2.99Å; A285-S433 WeakPolarHBondContact CB-OG 3.45Å
286	M	92.1	Very high	90.5	Very high	57 Å²	57	37.7 Å²	37.7	28%	0.281	19%	0.194	S	C	.	.	H	α-helix	trans	-59.4	-46.2	177.8	-172.1	173.6	-174.3	0	0	111.7	L282 T283 G290 G436 A439 A440 I443	L282-M286 WeakPolarHBondContact O-CB 3.37Å; L282-M286 PolarHBondContact O-N 3.34Å; T283-M286 PolarHBondContact O-N 3.47Å; M286-G290 WeakPolarHBondContact O-CA 3.19Å; M286-G290 PolarHBondContact O-N 3.16Å; M286-G436 WeakPolarHBondContact CA-O 3.43Å; M286-A439 HydrophobicContact CE-CB 4.35Å; M286-A440 HydrophobicContact CG-CB 4.23Å; M286-A440 WeakPolarHBondContact O-CB 3.24Å; M286-I443 HydrophobicContact CE-CD1 3.28Å; M286-I443 HydrophobicContact CE-CG1 3.34Å; M286-I443 HydrophobicContact CG-CD1 3.88Å; M286-I443 HydrophobicContact SD-CD1 4.31Å
287	A	92.9	Very high	90	Very high	34 Å²	34	36 Å²	36	28%	0.281	19%	0.191	S	C	.	.	H	α-helix	trans	-66	-45.7	175.7	0	0	0	0	0	111.9	T283 G284 A285 L291 V402	T283-A287 WeakPolarHBondContact O-CB 3.26Å; T283-A287 PolarHBondContact O-N 3.3Å; G284-A287 PolarHBondContact O-N 3.37Å; A285-A287 PolarHBondContact O-N 2.96Å; A287-L291 WeakPolarHBondContact O-CB 3.23Å; A287-L291 WeakPolarHBondContact O-CD1 3.42Å; A287-L291 VanDerWaalsContact O-CG 3.23Å; A287-L291 WeakPolarHBondContact O-CG 3.48Å; A287-L291 PolarHBondContact O-N 2.87Å; A287-V402 HydrophobicContact CB-CG1 3.73Å; A287-V402 HydrophobicContact CB-CG2 4.23Å
288	Y	92.9	Very high	89.8	Confident	38 Å²	38	37.3 Å²	37.3	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-54.3	-177.5	178.8	-102.5	0	0	0	112	G284 A285 L291 S292 E313 A403 Y406	G284-Y288 VanDerWaalsContact O-CB 3.26Å; G284-Y288 WeakPolarHBondContact O-CB 3.34Å; G284-Y288 PolarHBondContact O-N 3.43Å; A285-Y288 PolarHBondContact O-N 2.95Å; Y288-L291 PolarHBondContact O-N 3.34Å; Y288-S292 VanDerWaalsContact O-CB 3.23Å; Y288-S292 WeakPolarHBondContact O-CB 3.35Å; Y288-S292 PolarHBondContact O-N 3.17Å; Y288-S292 PolarHBondContact O-OG 2.91Å; Y288-E313 WeakPolarHBondContact CE2-OE1 3.22Å; Y288-E313 PolarHBondContact OH-OE1 2.66Å; Y288-A403 HydrophobicContact CD2-CB 4.11Å; Y288-A403 HydrophobicContact CE2-CB 3.85Å; Y288-Y406 HydrophobicContact CD1-CD1 4.04Å; Y288-Y406 HydrophobicContact CD1-CE1 4.15Å; Y288-Y406 HydrophobicContact CD2-CD1 4.38Å; Y288-Y406 AromaticContact CG-CD1 3.9Å; Y288-Y406 HydrophobicContact CG-CD1 3.9Å; Y288-Y406 HydrophobicContact CG-CE1 4.42Å; Y288-Y406 HydrophobicContact CG-CG 4.5Å
289	Y	91.8	Very high	89.3	Confident	38 Å²	38	38.1 Å²	38.1	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-35.1	-179.5	-70.3	-66.6	0	0	0	112.2	M76 A285 S292 W293 R434 A437	M76-Y289 HydrophobicContact CE-CD1 3.45Å; M76-Y289 VanDerWaalsContact CE-CD1 3.45Å; M76-Y289 HydrophobicContact CE-CD2 4.2Å; M76-Y289 HydrophobicContact CE-CE1 3.34Å; M76-Y289 HydrophobicContact CE-CE2 4.09Å; M76-Y289 HydrophobicContact CE-CG 3.9Å; A285-Y289 HydrophobicContact CB-CD2 4.19Å; A285-Y289 HydrophobicContact CB-CE2 4.32Å; A285-Y289 WeakPolarHBondContact O-CB 3.23Å; A285-Y289 WeakPolarHBondContact O-CD2 3.37Å; A285-Y289 PolarHBondContact O-N 3.45Å; Y289-S292 PolarHBondContact O-N 2.85Å; Y289-W293 WeakPolarHBondContact O-CB 3.38Å; Y289-W293 PolarHBondContact O-N 2.9Å; Y289-R434 PolarHBondContact OH-NH1 3.27Å; Y289-A437 HydrophobicContact CD2-CB 3.28Å; Y289-A437 HydrophobicContact CE2-CB 3.62Å; Y289-A437 HydrophobicContact CG-CB 4.03Å
290	G	88.8	Confident	88.8	Confident	13 Å²	13	33.7 Å²	33.7	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-49.8	173.8	0	0	0	0	0	111.5	M286 S292 Y294	M286-G290 WeakPolarHBondContact O-CA 3.19Å; M286-G290 PolarHBondContact O-N 3.16Å; G290-S292 PolarHBondContact O-N 3.39Å; G290-Y294 WeakPolarHBondContact O-CD2 3.47Å
291	L	90.2	Very high	88.4	Confident	43 Å²	43	36.2 Å²	36.2	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-70	-35.4	178.1	-65.2	168.1	0	0	0	112.2	A287 Y288 T295 L344 R399 V402	A287-L291 WeakPolarHBondContact O-CB 3.23Å; A287-L291 WeakPolarHBondContact O-CD1 3.42Å; A287-L291 VanDerWaalsContact O-CG 3.23Å; A287-L291 WeakPolarHBondContact O-CG 3.48Å; A287-L291 PolarHBondContact O-N 2.87Å; Y288-L291 PolarHBondContact O-N 3.34Å; L291-T295 PolarHBondContact O-N 2.89Å; L291-T295 PolarHBondContact O-OG1 3.4Å; L291-L344 HydrophobicContact CD1-CD1 3.8Å; L291-L344 HydrophobicContact CD1-CD2 4.11Å; L291-L344 HydrophobicContact CD2-CD1 4.36Å; L291-L344 HydrophobicContact CD2-CD2 3.68Å; L291-R399 HydrophobicContact CB-CB 4.32Å; L291-R399 HydrophobicContact CB-CG 3.88Å; L291-R399 HydrophobicContact CD1-CB 4.04Å; L291-R399 HydrophobicContact CD1-CG 4.28Å; L291-R399 PolarHBondContact O-NE 3.28Å; L291-V402 HydrophobicContact CD1-CB 4.29Å; L291-V402 HydrophobicContact CD1-CG2 3.86Å
292	S	88.2	Confident	88.2	Confident	18 Å²	18	37 Å²	37	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-71.2	-40.5	-176.2	-68.1	0	0	0	0	114.7	Y288 Y289 G290 Y294 T295 R399	Y288-S292 VanDerWaalsContact O-CB 3.23Å; Y288-S292 WeakPolarHBondContact O-CB 3.35Å; Y288-S292 PolarHBondContact O-N 3.17Å; Y288-S292 PolarHBondContact O-OG 2.91Å; Y289-S292 PolarHBondContact O-N 2.85Å; G290-S292 PolarHBondContact O-N 3.39Å; S292-Y294 VanDerWaalsContact C-N 3.31Å; S292-Y294 PolarHBondContact O-N 2.92Å; S292-T295 PolarHBondContact O-OG1 3.36Å; S292-R399 PolarHBondContact OG-NE 3.22Å; S292-R399 PolarHBondContact OG-NH2 3.31Å
293	W	86.6	Confident	87.9	Confident	63 Å²	63	35 Å²	35	24%	0.239	21%	0.209	C	C	.	.	H	α-helix	trans	-79	-14.4	-179.7	-72.4	-29.1	0	0	0	114.8	K72 W75 M76 Y289 P441	K72-W293 HydrophobicContact CB-CE3 4.22Å; K72-W293 HydrophobicContact CB-CH2 3.77Å; K72-W293 HydrophobicContact CB-CZ2 4.16Å; K72-W293 HydrophobicContact CB-CZ3 3.9Å; K72-W293 HydrophobicContact CD-CB 4.21Å; K72-W293 HydrophobicContact CD-CD2 4.09Å; K72-W293 HydrophobicContact CD-CE3 4.11Å; K72-W293 HydrophobicContact CD-CG 4.23Å; K72-W293 WeakPolarHBondContact O-CH2 3.49Å; W75-W293 HydrophobicContact CE3-CZ2 4.47Å; M76-W293 HydrophobicContact CE-CH2 3.5Å; M76-W293 VanDerWaalsContact CE-CH2 3.5Å; M76-W293 HydrophobicContact CE-CZ2 3.31Å; M76-W293 HydrophobicContact CE-CZ3 4.45Å; M76-W293 HydrophobicContact CG-CH2 3.38Å; M76-W293 HydrophobicContact CG-CZ2 4Å; M76-W293 HydrophobicContact CG-CZ3 4.34Å; M76-W293 HydrophobicContact SD-CH2 4.34Å; Y289-W293 WeakPolarHBondContact O-CB 3.38Å; Y289-W293 PolarHBondContact O-N 2.9Å; W293-P441 HydrophobicContact CE3-CG 3.62Å; W293-P441 HydrophobicContact CH2-CG 4.22Å; W293-P441 HydrophobicContact CZ3-CG 3.24Å
294	Y	86.3	Confident	87.7	Confident	33 Å²	33	36.4 Å²	36.4	13%	0.129	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	19.1	180	-59.9	-66.1	0	0	0	113	D69 G290 S292 S296 S297 P441 N444	D69-Y294 VanDerWaalsContact CG-OH 3.24Å; D69-Y294 PolarHBondContact OD1-OH 2.96Å; G290-Y294 WeakPolarHBondContact O-CD2 3.47Å; S292-Y294 VanDerWaalsContact C-N 3.31Å; S292-Y294 PolarHBondContact O-N 2.92Å; Y294-S296 PolarHBondContact O-N 2.86Å; Y294-S297 WeakPolarHBondContact O-CA 3.45Å; Y294-S297 WeakPolarHBondContact O-CB 3.48Å; Y294-S297 PolarHBondContact O-N 3.28Å; Y294-P441 WeakPolarHBondContact OH-CA 3.33Å; Y294-P441 PolarHBondContact OH-O 2.62Å; Y294-N444 VanDerWaalsContact CD1-ND2 3.31Å; Y294-N444 WeakPolarHBondContact CD1-ND2 3.24Å; Y294-N444 WeakPolarHBondContact CD2-ND2 3.5Å; Y294-N444 WeakPolarHBondContact CE1-ND2 3.34Å; Y294-N444 WeakPolarHBondContact CE2-ND2 3.34Å; Y294-N444 PolarHBondContact OH-ND2 2.89Å
295	T	86.2	Confident	87.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.2	171.6	-63	0	0	0	0	111.9	L291 S292 S297 L298 N305 S309 R399	L291-T295 PolarHBondContact O-N 2.89Å; L291-T295 PolarHBondContact O-OG1 3.4Å; S292-T295 PolarHBondContact O-OG1 3.36Å; T295-S297 PolarHBondContact O-N 3.11Å; T295-L298 HydrophobicContact CG2-CD1 4.37Å; T295-L298 WeakPolarHBondContact O-CB 3.42Å; T295-L298 PolarHBondContact O-N 3Å; T295-N305 HydrophobicContact CG2-CB 4.22Å; T295-N305 WeakPolarHBondContact CG2-O 3.05Å; T295-S309 WeakPolarHBondContact CG2-OG 3.37Å; T295-R399 PolarHBondContact OG1-NE 2.94Å; T295-R399 PolarHBondContact OG1-NH2 3.35Å
296	S	79.4	Confident	87.5	Confident	59 Å²	59	39.1 Å²	39.1	41%	0.413	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-68.9	-13.1	174.2	54.1	0	0	0	0	114.8	Y294	Y294-S296 PolarHBondContact O-N 2.86Å
297	S	82	Confident	87.4	Confident	66 Å²	66	38.5 Å²	38.5	46%	0.462	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-93.6	0.3	176.8	-52.6	0	0	0	0	112.9	Y294 T295 R351	Y294-S297 WeakPolarHBondContact O-CA 3.45Å; Y294-S297 WeakPolarHBondContact O-CB 3.48Å; Y294-S297 PolarHBondContact O-N 3.28Å; T295-S297 PolarHBondContact O-N 3.11Å; S297-R351 PolarHBondContact O-NH1 3.12Å
298	L	84.5	Confident	87.3	Confident	32 Å²	32	40.4 Å²	40.4	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-71.8	144.1	170.8	-70.3	172.7	0	0	0	110.2	T295 N305 T392 A395 I396	T295-L298 HydrophobicContact CG2-CD1 4.37Å; T295-L298 WeakPolarHBondContact O-CB 3.42Å; T295-L298 PolarHBondContact O-N 3Å; L298-N305 PolarHBondContact O-ND2 3Å; L298-T392 HydrophobicContact CB-CG2 4.29Å; L298-T392 HydrophobicContact CD1-CG2 4.22Å; L298-A395 HydrophobicContact CD2-CB 3.57Å; L298-I396 HydrophobicContact CD1-CG1 4.11Å
299	P	80.3	Confident	87.2	Confident	26 Å²	26	38.6 Å²	38.6	17%	0.169	22%	0.222	C	C	.	.	S	Bend	trans	-57.3	148.1	174.1	-22.1	32.6	0	0	0	112.8	N305 K388 I391 T392	P299-N305 PolarHBondContact O-ND2 3.13Å; P299-K388 HydrophobicContact CB-CB 3.64Å; P299-K388 HydrophobicContact CB-CD 4.27Å; P299-K388 HydrophobicContact CB-CG 3.76Å; P299-I391 HydrophobicContact CG-CB 4.44Å; P299-I391 HydrophobicContact CG-CG2 4.1Å; P299-T392 PolarHBondContact O-OG1 2.99Å
300	G	82.4	Confident	87.2	Confident	58 Å²	58	36.8 Å²	36.8	60%	0.598	22%	0.215	S	C	*	.	S	Bend	trans	99.4	-161.5	179.5	0	0	0	0	0	112.8	T302	G300-T302 PolarHBondContact O-N 3.36Å
301	N	85.3	Confident	87.2	Confident	79 Å²	79	38.4 Å²	38.4	42%	0.422	23%	0.227	S	C	.	.			trans	-76.4	122.8	-176.4	-176.5	-65.4	0	0	0	111	Y303 V304 N305	N301-Y303 VanDerWaalsContact C-N 3.34Å; N301-Y303 PolarHBondContact O-N 3.44Å; N301-Y303 WeakPolarHBondContact OD1-CB 3.39Å; N301-Y303 PolarHBondContact OD1-N 2.91Å; N301-V304 HydrophobicContact CB-CB 4.05Å; N301-V304 HydrophobicContact CB-CG2 3.91Å; N301-V304 PolarHBondContact O-N 3.3Å; N301-V304 PolarHBondContact OD1-N 3.3Å; N301-V304 VanDerWaalsContact OD1-N 3.1Å; N301-N305 WeakPolarHBondContact O-CB 3.35Å; N301-N305 VanDerWaalsContact O-CG 3.23Å; N301-N305 PolarHBondContact O-N 3.49Å
302	T	87.7	Confident	87.3	Confident	17 Å²	17	37.9 Å²	37.9	10%	0.104	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-41.9	-177.2	-56.7	0	0	0	0	113.6	Y50 G300 Y306	Y50-T302 WeakPolarHBondContact OH-CG2 3.36Å; G300-T302 PolarHBondContact O-N 3.36Å; T302-Y306 VanDerWaalsContact O-CB 3.25Å; T302-Y306 WeakPolarHBondContact O-CB 3.32Å; T302-Y306 PolarHBondContact O-N 3.3Å
303	Y	89.5	Confident	87.4	Confident	15 Å²	15	37.1 Å²	37.1	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-44	-179.6	-63.1	-80.1	0	0	0	111.1	D49 Y50 A175 Y176 N301 N305 Y306 F307	D49-Y303 PolarHBondContact O-OH 3.21Å; D49-Y303 VanDerWaalsContact O-OH 3.13Å; Y50-Y303 WeakPolarHBondContact CD1-OH 3.43Å; Y50-Y303 AromaticContact CE1-CZ 3.97Å; Y50-Y303 WeakPolarHBondContact CE1-OH 3.46Å; A175-Y303 HydrophobicContact CB-CE1 4.1Å; A175-Y303 VanDerWaalsContact O-CE1 3.3Å; A175-Y303 WeakPolarHBondContact O-CE1 3.31Å; Y176-Y303 HydrophobicContact CD2-CD1 4.31Å; Y176-Y303 HydrophobicContact CD2-CD2 4.3Å; Y176-Y303 AromaticContact CD2-CG 4Å; Y176-Y303 HydrophobicContact CD2-CG 4Å; N301-Y303 VanDerWaalsContact C-N 3.34Å; N301-Y303 PolarHBondContact O-N 3.44Å; N301-Y303 WeakPolarHBondContact OD1-CB 3.39Å; N301-Y303 PolarHBondContact OD1-N 2.91Å; Y303-N305 PolarHBondContact O-N 2.79Å; Y303-Y306 WeakPolarHBondContact O-CB 3.45Å; Y303-Y306 PolarHBondContact O-N 3.48Å; Y303-F307 WeakPolarHBondContact O-CD2 3.42Å; Y303-F307 WeakPolarHBondContact O-CG 3.41Å; Y303-F307 PolarHBondContact O-N 3.39Å
304	V	87.8	Confident	87.4	Confident	73 Å²	73	38 Å²	38	44%	0.442	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-47.4	176.3	176.3	0	0	0	0	110.5	N301 Y306 F307 I308	N301-V304 HydrophobicContact CB-CB 4.05Å; N301-V304 HydrophobicContact CB-CG2 3.91Å; N301-V304 PolarHBondContact O-N 3.3Å; N301-V304 PolarHBondContact OD1-N 3.3Å; N301-V304 VanDerWaalsContact OD1-N 3.1Å; V304-Y306 VanDerWaalsContact C-N 3.28Å; V304-Y306 PolarHBondContact O-N 3.06Å; V304-F307 PolarHBondContact O-N 2.95Å; V304-I308 HydrophobicContact CG1-CD1 3.66Å; V304-I308 HydrophobicContact CG1-CG1 4.3Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.37Å
305	N	90.3	Very high	87.4	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-41.9	177.2	-70.1	-10.3	0	0	0	111.4	T295 L298 P299 N301 Y303 S309 T392	T295-N305 HydrophobicContact CG2-CB 4.22Å; T295-N305 WeakPolarHBondContact CG2-O 3.05Å; L298-N305 PolarHBondContact O-ND2 3Å; P299-N305 PolarHBondContact O-ND2 3.13Å; N301-N305 WeakPolarHBondContact O-CB 3.35Å; N301-N305 VanDerWaalsContact O-CG 3.23Å; N301-N305 PolarHBondContact O-N 3.49Å; Y303-N305 PolarHBondContact O-N 2.79Å; N305-S309 WeakPolarHBondContact O-CB 3.49Å; N305-S309 PolarHBondContact O-N 2.99Å; N305-S309 PolarHBondContact O-OG 3.2Å; N305-T392 VanDerWaalsContact OD1-CG2 3.25Å; N305-T392 WeakPolarHBondContact OD1-CG2 3.41Å
306	Y	91.3	Very high	87.6	Confident	49 Å²	49	39.8 Å²	39.8	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-44.1	176.3	-173.5	-77.6	0	0	0	112.6	Y168 N171 T302 Y303 V304 S309 A310	Y168-Y306 AromaticContact CD2-CE1 3.86Å; Y168-Y306 HydrophobicContact CD2-CE1 3.86Å; Y168-Y306 HydrophobicContact CD2-CE2 4.23Å; Y168-Y306 AromaticContact CD2-CZ 3.5Å; Y168-Y306 WeakPolarHBondContact CD2-OH 3.38Å; Y168-Y306 HydrophobicContact CE2-CD1 4.35Å; Y168-Y306 HydrophobicContact CE2-CD2 4.13Å; Y168-Y306 AromaticContact CE2-CE1 3.65Å; Y168-Y306 HydrophobicContact CE2-CE1 3.65Å; Y168-Y306 AromaticContact CE2-CE2 3.45Å; Y168-Y306 HydrophobicContact CE2-CE2 3.45Å; Y168-Y306 VanDerWaalsContact CE2-CE2 3.45Å; Y168-Y306 AromaticContact CE2-CZ 3.16Å; Y168-Y306 WeakPolarHBondContact CE2-OH 3.2Å; Y168-Y306 WeakPolarHBondContact O-CE1 3.12Å; Y168-Y306 PolarHBondContact O-OH 2.85Å; N171-Y306 PolarHBondContact ND2-OH 3.42Å; T302-Y306 VanDerWaalsContact O-CB 3.25Å; T302-Y306 WeakPolarHBondContact O-CB 3.32Å; T302-Y306 PolarHBondContact O-N 3.3Å; Y303-Y306 WeakPolarHBondContact O-CB 3.45Å; Y303-Y306 PolarHBondContact O-N 3.48Å; V304-Y306 VanDerWaalsContact C-N 3.28Å; V304-Y306 PolarHBondContact O-N 3.06Å; Y306-S309 WeakPolarHBondContact O-CB 3.44Å; Y306-S309 PolarHBondContact O-N 3.38Å; Y306-A310 PolarHBondContact O-N 3.21Å
307	F	90.9	Very high	88	Confident	44 Å²	44	37.8 Å²	37.8	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-48	178.5	-76.7	-58.9	0	0	0	112.6	F169 G172 V173 Y303 V304 S309 A310 A311	F169-F307 HydrophobicContact CD2-CD1 4.46Å; F169-F307 HydrophobicContact CE2-CD1 4.18Å; F169-F307 HydrophobicContact CZ-CD1 4.4Å; G172-F307 WeakPolarHBondContact O-CZ 3.37Å; V173-F307 HydrophobicContact CB-CE1 4.36Å; V173-F307 HydrophobicContact CG2-CE1 3.71Å; V173-F307 HydrophobicContact CG2-CZ 4.3Å; Y303-F307 WeakPolarHBondContact O-CD2 3.42Å; Y303-F307 WeakPolarHBondContact O-CG 3.41Å; Y303-F307 PolarHBondContact O-N 3.39Å; V304-F307 PolarHBondContact O-N 2.95Å; F307-S309 PolarHBondContact O-N 2.85Å; F307-A310 PolarHBondContact O-N 2.98Å; F307-A310 VanDerWaalsContact O-N 3.17Å; F307-A311 WeakPolarHBondContact O-CB 3.48Å; F307-A311 PolarHBondContact O-N 2.95Å
308	I	90.5	Very high	88.1	Confident	74 Å²	74	40.2 Å²	40.2	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-45.3	176.1	-64.3	170	0	0	0	108.8	V304 A310 A311 V312 I396	V304-I308 HydrophobicContact CG1-CD1 3.66Å; V304-I308 HydrophobicContact CG1-CG1 4.3Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.37Å; I308-A310 VanDerWaalsContact C-N 3.28Å; I308-A310 PolarHBondContact O-N 2.88Å; I308-A311 PolarHBondContact O-N 3.28Å; I308-A311 VanDerWaalsContact O-N 3.1Å; I308-V312 HydrophobicContact CG2-CG1 4.12Å; I308-V312 WeakPolarHBondContact O-CG1 3.22Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3Å; I308-I396 HydrophobicContact CB-CD1 4.23Å; I308-I396 HydrophobicContact CG2-CD1 3.83Å; I308-I396 HydrophobicContact CG2-CG2 4Å
309	S	90.9	Very high	88.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-34.6	176.8	-80.4	0	0	0	0	114.5	T295 N305 Y306 F307 R399	T295-S309 WeakPolarHBondContact CG2-OG 3.37Å; N305-S309 WeakPolarHBondContact O-CB 3.49Å; N305-S309 PolarHBondContact O-N 2.99Å; N305-S309 PolarHBondContact O-OG 3.2Å; Y306-S309 WeakPolarHBondContact O-CB 3.44Å; Y306-S309 PolarHBondContact O-N 3.38Å; F307-S309 PolarHBondContact O-N 2.85Å; S309-R399 VanDerWaalsContact CA-NH1 3.35Å; S309-R399 PolarHBondContact O-NH1 3.22Å; S309-R399 PolarHBondContact OG-NH1 2.83Å
310	A	91.7	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-77.6	-39.8	172.8	0	0	0	0	0	111.8	T165 Y168 F169 Y306 F307 I308 V312 E313	T165-A310 VanDerWaalsContact CG2-O 3.23Å; T165-A310 WeakPolarHBondContact CG2-O 3.46Å; Y168-A310 HydrophobicContact CD1-CB 3.55Å; Y168-A310 HydrophobicContact CD2-CB 4.38Å; Y168-A310 HydrophobicContact CE1-CB 3.82Å; Y168-A310 HydrophobicContact CG-CB 3.82Å; F169-A310 HydrophobicContact CB-CB 4.13Å; F169-A310 HydrophobicContact CD2-CB 4.2Å; Y306-A310 PolarHBondContact O-N 3.21Å; F307-A310 PolarHBondContact O-N 2.98Å; F307-A310 VanDerWaalsContact O-N 3.17Å; I308-A310 VanDerWaalsContact C-N 3.28Å; I308-A310 PolarHBondContact O-N 2.88Å; A310-V312 PolarHBondContact O-N 2.89Å; A310-E313 WeakPolarHBondContact O-CB 3.37Å; A310-E313 PolarHBondContact O-N 2.86Å
311	A	90.1	Very high	88.3	Confident	46 Å²	46	39.9 Å²	39.9	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-39.1	-178.4	0	0	0	0	0	112.6	F307 I308 E313 L314 P315	F307-A311 WeakPolarHBondContact O-CB 3.48Å; F307-A311 PolarHBondContact O-N 2.95Å; I308-A311 PolarHBondContact O-N 3.28Å; I308-A311 VanDerWaalsContact O-N 3.1Å; A311-E313 PolarHBondContact O-N 2.82Å; A311-L314 PolarHBondContact O-N 3.12Å; A311-P315 WeakPolarHBondContact O-CD 3.32Å
312	V	90.4	Very high	88.3	Confident	32 Å²	32	39.5 Å²	39.5	19%	0.194	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.1	-177.5	-63.2	0	0	0	0	114.4	I308 A310 P315 A316 I396 T400	I308-V312 HydrophobicContact CG2-CG1 4.12Å; I308-V312 WeakPolarHBondContact O-CG1 3.22Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3Å; A310-V312 PolarHBondContact O-N 2.89Å; V312-P315 WeakPolarHBondContact O-CD 3.22Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.26Å; V312-I396 HydrophobicContact CG1-CG2 4.2Å; V312-I396 HydrophobicContact CG2-CG2 4.11Å; V312-T400 HydrophobicContact CB-CG2 4.25Å; V312-T400 WeakPolarHBondContact CB-OG1 3.39Å; V312-T400 VanDerWaalsContact CG2-OG1 3.31Å; V312-T400 WeakPolarHBondContact CG2-OG1 3.45Å
313	E	90.7	Very high	88.1	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-39.6	174.8	-72.6	-78.7	-167.5	0	0	111.9	T165 Y168 Y288 A310 A311 A316 Y317 A403	T165-E313 HydrophobicContact CG2-CB 3.58Å; T165-E313 HydrophobicContact CG2-CG 4.43Å; Y168-E313 HydrophobicContact CD1-CG 4.43Å; Y288-E313 WeakPolarHBondContact CE2-OE1 3.22Å; Y288-E313 PolarHBondContact OH-OE1 2.66Å; A310-E313 WeakPolarHBondContact O-CB 3.37Å; A310-E313 PolarHBondContact O-N 2.86Å; A311-E313 PolarHBondContact O-N 2.82Å; E313-A316 WeakPolarHBondContact O-CB 3.13Å; E313-A316 PolarHBondContact O-N 3.34Å; E313-Y317 WeakPolarHBondContact O-CD2 3.33Å; E313-Y317 PolarHBondContact O-N 3.19Å; E313-Y317 VanDerWaalsContact O-N 3.12Å; E313-A403 VanDerWaalsContact OE2-CB 3.31Å; E313-A403 WeakPolarHBondContact OE2-CB 3.25Å
314	L	87.1	Confident	87.7	Confident	82 Å²	82	40.5 Å²	40.5	43%	0.429	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-51.6	178.2	-76.3	172.6	0	0	0	112	T165 A311 A316 Y317 I318	T165-L314 HydrophobicContact CG2-CD2 4.4Å; T165-L314 HydrophobicContact CG2-CG 3.86Å; A311-L314 PolarHBondContact O-N 3.12Å; L314-A316 VanDerWaalsContact C-N 3.25Å; L314-A316 PolarHBondContact O-N 3.45Å; L314-Y317 PolarHBondContact O-N 2.78Å; L314-I318 PolarHBondContact O-N 3.5Å
315	P	87.4	Confident	87.4	Confident	72 Å²	72	45.2 Å²	45.2	47%	0.468	25%	0.245	S	C	.	.	H	α-helix	trans	-56	-35.6	169.7	-27.1	33.8	0	0	0	113.9	A311 V312 Y317 I318 L319	A311-P315 WeakPolarHBondContact O-CD 3.32Å; V312-P315 WeakPolarHBondContact O-CD 3.22Å; P315-Y317 VanDerWaalsContact C-N 3.3Å; P315-Y317 PolarHBondContact O-N 2.84Å; P315-I318 PolarHBondContact O-N 3.03Å; P315-L319 VanDerWaalsContact O-CB 3.24Å; P315-L319 WeakPolarHBondContact O-CB 3.29Å; P315-L319 PolarHBondContact O-N 3.4Å
316	A	90.1	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-39.7	177.8	0	0	0	0	0	111.7	V312 E313 L314 L319 S320 T400 A403 A404	V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.26Å; E313-A316 WeakPolarHBondContact O-CB 3.13Å; E313-A316 PolarHBondContact O-N 3.34Å; L314-A316 VanDerWaalsContact C-N 3.25Å; L314-A316 PolarHBondContact O-N 3.45Å; A316-L319 PolarHBondContact O-N 3.02Å; A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.31Å; A316-T400 HydrophobicContact CB-CG2 3.83Å; A316-A403 HydrophobicContact CB-CB 4.01Å; A316-A404 HydrophobicContact CB-CB 4.16Å; A316-A404 WeakPolarHBondContact O-CB 3.35Å
317	Y	86.2	Confident	86.7	Confident	17 Å²	17	52.7 Å²	52.7	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-41.9	175.6	-57.3	-34.1	0	0	0	112.3	Q161 T165 E313 L314 P315 S320 A321 A407	Q161-Y317 HydrophobicContact CB-CD2 4.48Å; Q161-Y317 HydrophobicContact CB-CE1 4.35Å; Q161-Y317 HydrophobicContact CB-CE2 3.91Å; T165-Y317 WeakPolarHBondContact OG1-CE2 3.43Å; T165-Y317 PolarHBondContact OG1-OH 3.32Å; E313-Y317 WeakPolarHBondContact O-CD2 3.33Å; E313-Y317 PolarHBondContact O-N 3.19Å; E313-Y317 VanDerWaalsContact O-N 3.12Å; L314-Y317 PolarHBondContact O-N 2.78Å; P315-Y317 VanDerWaalsContact C-N 3.3Å; P315-Y317 PolarHBondContact O-N 2.84Å; Y317-S320 WeakPolarHBondContact O-CB 3.33Å; Y317-S320 PolarHBondContact O-N 3.23Å; Y317-S320 PolarHBondContact O-OG 2.93Å; Y317-A321 PolarHBondContact O-N 3.43Å; Y317-A407 HydrophobicContact CD1-CB 3.94Å; Y317-A407 HydrophobicContact CE1-CB 4.16Å
318	I	84.9	Confident	86.5	Confident	118 Å²	118	52.2 Å²	52.2	61%	0.605	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-46.1	176.1	-61.5	170.6	0	0	0	110.1	L314 P315 S320 A321 V322	L314-I318 PolarHBondContact O-N 3.5Å; P315-I318 PolarHBondContact O-N 3.03Å; I318-S320 VanDerWaalsContact C-N 3.26Å; I318-S320 PolarHBondContact O-N 3.06Å; I318-A321 PolarHBondContact O-N 3.46Å; I318-A321 VanDerWaalsContact O-N 3.13Å; I318-V322 HydrophobicContact CG2-CG2 4.47Å; I318-V322 WeakPolarHBondContact O-CG2 3.09Å; I318-V322 PolarHBondContact O-N 2.91Å
319	L	85.6	Confident	86.1	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-40.8	176.1	-179	63.4	0	0	0	111.2	P315 A316 A321 V322 M323 M336	P315-L319 VanDerWaalsContact O-CB 3.24Å; P315-L319 WeakPolarHBondContact O-CB 3.29Å; P315-L319 PolarHBondContact O-N 3.4Å; A316-L319 PolarHBondContact O-N 3.02Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 3.28Å; L319-V322 PolarHBondContact O-N 2.92Å; L319-M323 HydrophobicContact CD1-CG 3.87Å; L319-M323 HydrophobicContact CD1-SD 4.44Å; L319-M323 HydrophobicContact CG-CG 4.12Å; L319-M323 VanDerWaalsContact O-CB 3.3Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.33Å; L319-M323 PolarHBondContact O-N 3.4Å; L319-M336 HydrophobicContact CD2-SD 4.15Å
320	S	84.6	Confident	85.9	Confident	7 Å²	7	61 Å²	61	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-41.1	177	79.3	0	0	0	0	112.6	A316 Y317 I318 F324	A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.31Å; Y317-S320 WeakPolarHBondContact O-CB 3.33Å; Y317-S320 PolarHBondContact O-N 3.23Å; Y317-S320 PolarHBondContact O-OG 2.93Å; I318-S320 VanDerWaalsContact C-N 3.26Å; I318-S320 PolarHBondContact O-N 3.06Å; S320-F324 WeakPolarHBondContact O-CB 3.38Å; S320-F324 PolarHBondContact O-N 3.41Å
321	A	81.6	Confident	85.7	Confident	38 Å²	38	64.5 Å²	64.5	31%	0.314	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-48.1	178.2	0	0	0	0	0	111.2	Y317 I318 L319 M323 F324 E325	Y317-A321 PolarHBondContact O-N 3.43Å; I318-A321 PolarHBondContact O-N 3.46Å; I318-A321 VanDerWaalsContact O-N 3.13Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 3.28Å; A321-M323 PolarHBondContact O-N 3.34Å; A321-F324 PolarHBondContact O-N 3.17Å; A321-E325 PolarHBondContact O-N 3.4Å
322	V	84.9	Confident	85.7	Confident	71 Å²	71	62.3 Å²	62.3	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-46.1	178.5	174.3	0	0	0	0	111.3	I318 L319 F324 E325 C326	I318-V322 HydrophobicContact CG2-CG2 4.47Å; I318-V322 WeakPolarHBondContact O-CG2 3.09Å; I318-V322 PolarHBondContact O-N 2.91Å; L319-V322 PolarHBondContact O-N 2.92Å; V322-F324 VanDerWaalsContact C-N 3.29Å; V322-F324 PolarHBondContact O-N 3.35Å; V322-E325 PolarHBondContact O-N 2.91Å; V322-E325 VanDerWaalsContact O-N 3.16Å; V322-C326 WeakPolarHBondContact O-CB 3.27Å; V322-C326 PolarHBondContact O-N 3.17Å; V322-C326 PolarHBondContact O-SG 3.36Å; V322-C326 VanDerWaalsContact O-SG 3.34Å
323	M	83.2	Confident	85.7	Confident	19 Å²	19	61.4 Å²	61.4	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-37	-179.1	-73.3	-63.3	-61.6	0	0	112.3	L319 A321 F327 A332 M336 M408	L319-M323 HydrophobicContact CD1-CG 3.87Å; L319-M323 HydrophobicContact CD1-SD 4.44Å; L319-M323 HydrophobicContact CG-CG 4.12Å; L319-M323 VanDerWaalsContact O-CB 3.3Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.33Å; L319-M323 PolarHBondContact O-N 3.4Å; A321-M323 PolarHBondContact O-N 3.34Å; M323-F327 HydrophobicContact CE-CB 4.46Å; M323-F327 HydrophobicContact CE-CD2 3.27Å; M323-F327 HydrophobicContact CE-CE2 3.63Å; M323-F327 HydrophobicContact CE-CG 3.99Å; M323-F327 PolarHBondContact O-N 3.05Å; M323-F327 HydrophobicContact SD-CD2 3.56Å; M323-F327 VanDerWaalsContact SD-CD2 3.56Å; M323-F327 HydrophobicContact SD-CE2 3.57Å; M323-F327 VanDerWaalsContact SD-CE2 3.57Å; M323-A332 HydrophobicContact CB-CB 3.94Å; M323-A332 WeakPolarHBondContact O-CB 3.23Å; M323-M336 HydrophobicContact CE-CE 3.79Å; M323-M336 HydrophobicContact CG-SD 4.43Å; M323-M336 HydrophobicContact SD-CE 4.41Å; M323-M408 HydrophobicContact CB-SD 4.45Å
324	F	81.1	Confident	85.7	Confident	33 Å²	33	64.7 Å²	64.7	15%	0.145	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-39.3	174.5	-92.1	5.5	0	0	0	113.5	S320 A321 V322 G328 R329 A332 M408 N411	S320-F324 WeakPolarHBondContact O-CB 3.38Å; S320-F324 PolarHBondContact O-N 3.41Å; A321-F324 PolarHBondContact O-N 3.17Å; V322-F324 VanDerWaalsContact C-N 3.29Å; V322-F324 PolarHBondContact O-N 3.35Å; F324-G328 WeakPolarHBondContact O-CA 3.01Å; F324-G328 PolarHBondContact O-N 2.95Å; F324-R329 HydrophobicContact CD1-CB 4.5Å; F324-R329 HydrophobicContact CD1-CG 4.48Å; F324-R329 HydrophobicContact CE1-CB 4.19Å; F324-R329 HydrophobicContact CE1-CG 4.46Å; F324-A332 HydrophobicContact CD1-CB 3.84Å; F324-A332 HydrophobicContact CE1-CB 4.33Å; F324-M408 HydrophobicContact CD1-CB 4.4Å; F324-M408 HydrophobicContact CD1-CG 3.81Å; F324-M408 HydrophobicContact CD1-SD 3.33Å; F324-M408 WeakPolarHBondContact CD1-SD 3.26Å; F324-M408 HydrophobicContact CD2-CG 4.45Å; F324-M408 HydrophobicContact CE1-CB 3.5Å; F324-M408 VanDerWaalsContact CE1-CB 3.5Å; F324-M408 HydrophobicContact CE1-CG 3.4Å; F324-M408 HydrophobicContact CE1-SD 3.28Å; F324-M408 WeakPolarHBondContact CE1-SD 3.46Å; F324-M408 HydrophobicContact CE2-CB 4.14Å; F324-M408 HydrophobicContact CE2-CG 4.08Å; F324-M408 HydrophobicContact CG-CG 4.36Å; F324-M408 HydrophobicContact CG-SD 4.22Å; F324-M408 HydrophobicContact CZ-CB 3.34Å; F324-M408 HydrophobicContact CZ-CG 3.56Å; F324-M408 WeakPolarHBondContact CZ-O 3.49Å; F324-M408 HydrophobicContact CZ-SD 4.1Å; F324-N411 HydrophobicContact CE2-CB 3.66Å; F324-N411 HydrophobicContact CZ-CB 4.43Å
325	E	81.5	Confident	86	Confident	172 Å²	172	62.8 Å²	62.8	80%	0.804	34%	0.341	S	S	*	.	H	α-helix	trans	-73.7	-42.2	177	-68.6	-176.5	178.3	0	0	111.9	A321 V322	A321-E325 PolarHBondContact O-N 3.4Å; V322-E325 PolarHBondContact O-N 2.91Å; V322-E325 VanDerWaalsContact O-N 3.16Å
326	C	85	Confident	86.2	Confident	88 Å²	88	60 Å²	60	60%	0.595	32%	0.322	S	S	*	.	H	α-helix	trans	-79	-44.3	-173.6	-64.7	0	0	0	0	114.3	V322	V322-C326 WeakPolarHBondContact O-CB 3.27Å; V322-C326 PolarHBondContact O-N 3.17Å; V322-C326 PolarHBondContact O-SG 3.36Å; V322-C326 VanDerWaalsContact O-SG 3.34Å
327	F	83.5	Confident	86.4	Confident	128 Å²	128	62.4 Å²	62.4	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-108	-5	-170.7	-66.3	-83.2	0	0	0	113.4	M323 S331 A332	M323-F327 HydrophobicContact CE-CB 4.46Å; M323-F327 HydrophobicContact CE-CD2 3.27Å; M323-F327 HydrophobicContact CE-CE2 3.63Å; M323-F327 HydrophobicContact CE-CG 3.99Å; M323-F327 PolarHBondContact O-N 3.05Å; M323-F327 HydrophobicContact SD-CD2 3.56Å; M323-F327 VanDerWaalsContact SD-CD2 3.56Å; M323-F327 HydrophobicContact SD-CE2 3.57Å; M323-F327 VanDerWaalsContact SD-CE2 3.57Å; F327-S331 WeakPolarHBondContact O-CB 3.05Å; F327-A332 HydrophobicContact CB-CB 4.5Å
328	G	84.6	Confident	86.8	Confident	33 Å²	33	67.9 Å²	67.9	34%	0.34	36%	0.361	S	S	.	.			trans	69.7	168.1	-168.1	0	0	0	0	0	112.4	F324 A332	F324-G328 WeakPolarHBondContact O-CA 3.01Å; F324-G328 PolarHBondContact O-N 2.95Å; G328-A332 WeakPolarHBondContact O-CB 3.2Å; G328-A332 PolarHBondContact O-N 3.28Å
329	R	82.5	Confident	87.2	Confident	102 Å²	102	65.8 Å²	65.8	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-70.4	-43.7	-160.3	-56.6	174.1	-176.4	166.9	-0.7	114.6	F324 L333 Y412 E415	F324-R329 HydrophobicContact CD1-CB 4.5Å; F324-R329 HydrophobicContact CD1-CG 4.48Å; F324-R329 HydrophobicContact CE1-CB 4.19Å; F324-R329 HydrophobicContact CE1-CG 4.46Å; R329-L333 WeakPolarHBondContact O-CB 3.47Å; R329-L333 PolarHBondContact O-N 3.48Å; R329-L333 VanDerWaalsContact O-N 3.12Å; R329-Y412 HydrophobicContact CB-CD2 3.86Å; R329-Y412 HydrophobicContact CB-CE2 4.01Å; R329-E415 WeakPolarHBondContact CD-OE2 3.27Å; R329-E415 IonicContact CZ-OE1 3.98Å; R329-E415 IonicContact CZ-OE2 3.41Å; R329-E415 IonicContact NE-OE1 2.71Å; R329-E415 PolarHBondContact NE-OE1 3.04Å; R329-E415 IonicContact NE-OE2 3.55Å; R329-E415 PolarHBondContact NE-OE2 3.43Å; R329-E415 VanDerWaalsContact NH1-CB 3.25Å; R329-E415 IonicContact NH1-OE1 2.69Å; R329-E415 PolarHBondContact NH1-OE1 3.18Å; R329-E415 IonicContact NH1-OE2 3.12Å; R329-E415 PolarHBondContact NH1-OE2 3.3Å; R329-E415 IonicContact NH2-OE1 3.54Å; R329-E415 PolarHBondContact NH2-OE1 3.42Å; R329-E415 IonicContact NH2-OE2 3.68Å; R329-E415 PolarHBondContact NH2-OE2 3.01Å
330	R	87.4	Confident	87.7	Confident	156 Å²	156	62.8 Å²	62.8	59%	0.589	34%	0.335	S	S	*	.	H	α-helix	trans	-69.1	-51.1	-178.2	-71.1	-176.6	179.1	177.7	2.4	111.3	A332 L333 S334 Y412	R330-A332 VanDerWaalsContact C-N 3.34Å; R330-A332 PolarHBondContact O-N 3.4Å; R330-L333 PolarHBondContact O-N 3.47Å; R330-S334 WeakPolarHBondContact O-CB 3.42Å; R330-S334 PolarHBondContact O-N 2.93Å; R330-S334 PolarHBondContact O-OG 3.31Å; R330-Y412 HydrophobicContact CG-CE2 3.95Å; R330-Y412 WeakPolarHBondContact CG-OH 3.44Å; R330-Y412 PolarHBondContact NE-OH 3.01Å
331	S	88.2	Confident	88.2	Confident	74 Å²	74	64.3 Å²	64.3	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-39.8	-179.1	-50.4	0	0	0	0	111.4	F327 S335	F327-S331 WeakPolarHBondContact O-CB 3.05Å; S331-S335 WeakPolarHBondContact O-CB 3.42Å; S331-S335 PolarHBondContact O-N 2.76Å; S331-S335 PolarHBondContact O-OG 3.37Å
332	A	89.1	Confident	88.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-49.9	173.5	0	0	0	0	0	112.2	M323 F324 F327 G328 R330 S335 M336 M408	M323-A332 HydrophobicContact CB-CB 3.94Å; M323-A332 WeakPolarHBondContact O-CB 3.23Å; F324-A332 HydrophobicContact CD1-CB 3.84Å; F324-A332 HydrophobicContact CE1-CB 4.33Å; F327-A332 HydrophobicContact CB-CB 4.5Å; G328-A332 WeakPolarHBondContact O-CB 3.2Å; G328-A332 PolarHBondContact O-N 3.28Å; R330-A332 VanDerWaalsContact C-N 3.34Å; R330-A332 PolarHBondContact O-N 3.4Å; A332-S335 WeakPolarHBondContact CA-OG 3.31Å; A332-S335 PolarHBondContact O-N 2.87Å; A332-S335 PolarHBondContact O-OG 3.18Å; A332-M336 WeakPolarHBondContact O-CG 3.09Å; A332-M336 PolarHBondContact O-N 3.5Å; A332-M408 HydrophobicContact CB-SD 3.95Å
333	L	90.6	Very high	89.2	Confident	14 Å²	14	65 Å²	65	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-48.5	179.8	-167.1	69.3	0	0	0	111.8	R329 R330 M336 Y337 A405 M408	R329-L333 WeakPolarHBondContact O-CB 3.47Å; R329-L333 PolarHBondContact O-N 3.48Å; R329-L333 VanDerWaalsContact O-N 3.12Å; R330-L333 PolarHBondContact O-N 3.47Å; L333-M336 PolarHBondContact O-N 3.02Å; L333-Y337 HydrophobicContact CD1-CD2 4.17Å; L333-Y337 HydrophobicContact CD1-CE2 3.62Å; L333-Y337 HydrophobicContact CD2-CE2 4.46Å; L333-Y337 HydrophobicContact CG-CD2 3.98Å; L333-Y337 HydrophobicContact CG-CE2 3.79Å; L333-Y337 VanDerWaalsContact O-CD2 3.28Å; L333-Y337 WeakPolarHBondContact O-CD2 3.49Å; L333-Y337 PolarHBondContact O-N 3.27Å; L333-Y337 VanDerWaalsContact O-N 3.1Å; L333-A405 HydrophobicContact CD1-CB 4.28Å; L333-A405 WeakPolarHBondContact CD1-O 3.23Å; L333-M408 HydrophobicContact CD1-CB 3.85Å; L333-M408 HydrophobicContact CD1-CE 4.26Å
334	S	91.6	Very high	89.6	Confident	71 Å²	71	66.6 Å²	66.6	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-44.2	179.2	-65.9	0	0	0	0	112.4	R330 Y337 L338	R330-S334 WeakPolarHBondContact O-CB 3.42Å; R330-S334 PolarHBondContact O-N 2.93Å; R330-S334 PolarHBondContact O-OG 3.31Å; S334-Y337 PolarHBondContact O-N 2.92Å; S334-L338 WeakPolarHBondContact O-CB 3.45Å; S334-L338 VanDerWaalsContact O-CG 3.24Å; S334-L338 WeakPolarHBondContact O-CG 3.43Å; S334-L338 PolarHBondContact O-N 3.17Å
335	S	91.6	Very high	90.1	Very high	42 Å²	42	70 Å²	70	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-41.6	179.4	56.4	0	0	0	0	112.4	S331 A332 L338 L339	S331-S335 WeakPolarHBondContact O-CB 3.42Å; S331-S335 PolarHBondContact O-N 2.76Å; S331-S335 PolarHBondContact O-OG 3.37Å; A332-S335 WeakPolarHBondContact CA-OG 3.31Å; A332-S335 PolarHBondContact O-N 2.87Å; A332-S335 PolarHBondContact O-OG 3.18Å; S335-L338 PolarHBondContact O-N 2.93Å; S335-L339 VanDerWaalsContact O-CB 3.26Å; S335-L339 WeakPolarHBondContact O-CB 3.32Å; S335-L339 PolarHBondContact O-N 2.86Å
336	M	92.3	Very high	90.5	Very high	13 Å²	13	63.7 Å²	63.7	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-67.2	-40.2	177.1	-67.8	-59.3	91	0	0	112.5	L319 M323 A332 L333 L339 A340 A405 M408	L319-M336 HydrophobicContact CD2-SD 4.15Å; M323-M336 HydrophobicContact CE-CE 3.79Å; M323-M336 HydrophobicContact CG-SD 4.43Å; M323-M336 HydrophobicContact SD-CE 4.41Å; A332-M336 WeakPolarHBondContact O-CG 3.09Å; A332-M336 PolarHBondContact O-N 3.5Å; L333-M336 PolarHBondContact O-N 3.02Å; M336-L339 HydrophobicContact CE-CD2 4.1Å; M336-A340 WeakPolarHBondContact O-CB 3.33Å; M336-A340 PolarHBondContact O-N 2.98Å; M336-A405 HydrophobicContact CB-CB 3.92Å; M336-M408 HydrophobicContact CB-CE 3.85Å; M336-M408 HydrophobicContact CG-CE 3.49Å; M336-M408 VanDerWaalsContact CG-CE 3.49Å
337	Y	94.2	Very high	90.7	Very high	50 Å²	50	59.9 Å²	59.9	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-67.9	-38.1	174.4	-81.1	-58.7	0	0	0	112.9	N280 G284 L333 S334 A340 G341 A405	N280-Y337 WeakPolarHBondContact ND2-CE2 3.4Å; G284-Y337 WeakPolarHBondContact CA-OH 3.13Å; L333-Y337 HydrophobicContact CD1-CD2 4.17Å; L333-Y337 HydrophobicContact CD1-CE2 3.62Å; L333-Y337 HydrophobicContact CD2-CE2 4.46Å; L333-Y337 HydrophobicContact CG-CD2 3.98Å; L333-Y337 HydrophobicContact CG-CE2 3.79Å; L333-Y337 VanDerWaalsContact O-CD2 3.28Å; L333-Y337 WeakPolarHBondContact O-CD2 3.49Å; L333-Y337 PolarHBondContact O-N 3.27Å; L333-Y337 VanDerWaalsContact O-N 3.1Å; S334-Y337 PolarHBondContact O-N 2.92Å; Y337-A340 PolarHBondContact O-N 3.4Å; Y337-G341 PolarHBondContact O-N 3.48Å; Y337-A405 HydrophobicContact CD1-CB 3.95Å; Y337-A405 HydrophobicContact CD2-CB 3.92Å; Y337-A405 HydrophobicContact CE1-CB 3.68Å; Y337-A405 HydrophobicContact CE2-CB 3.64Å; Y337-A405 HydrophobicContact CG-CB 4.05Å
338	L	94.6	Very high	90.9	Very high	132 Å²	132	55.7 Å²	55.7	69%	0.691	32%	0.317	S	S	*	.	H	α-helix	trans	-65.2	-44.6	175.3	-74.7	171.4	0	0	0	111.3	S334 S335 G341 L342	S334-L338 WeakPolarHBondContact O-CB 3.45Å; S334-L338 VanDerWaalsContact O-CG 3.24Å; S334-L338 WeakPolarHBondContact O-CG 3.43Å; S334-L338 PolarHBondContact O-N 3.17Å; S335-L338 PolarHBondContact O-N 2.93Å; L338-G341 PolarHBondContact O-N 3.24Å; L338-L342 WeakPolarHBondContact O-CB 3.11Å; L338-L342 PolarHBondContact O-N 3.1Å
339	L	93.9	Very high	91	Very high	74 Å²	74	57.1 Å²	57.1	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-44.3	176.2	-177	59.3	0	0	0	111.2	S335 M336 G341 L342 C343	S335-L339 VanDerWaalsContact O-CB 3.26Å; S335-L339 WeakPolarHBondContact O-CB 3.32Å; S335-L339 PolarHBondContact O-N 2.86Å; M336-L339 HydrophobicContact CE-CD2 4.1Å; L339-G341 PolarHBondContact O-N 3.32Å; L339-L342 PolarHBondContact O-N 3.46Å; L339-C343 WeakPolarHBondContact O-CB 2.97Å; L339-C343 PolarHBondContact O-N 3.2Å; L339-C343 PolarHBondContact O-SG 3.03Å
340	A	94.9	Very high	91.1	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-56.1	-50.2	173.1	0	0	0	0	0	111.8	M336 Y337 L342 C343 L344 C401 V402	M336-A340 WeakPolarHBondContact O-CB 3.33Å; M336-A340 PolarHBondContact O-N 2.98Å; Y337-A340 PolarHBondContact O-N 3.4Å; A340-L342 VanDerWaalsContact C-N 3.35Å; A340-L342 PolarHBondContact O-N 3.15Å; A340-C343 PolarHBondContact O-N 3.34Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.24Å; A340-C401 HydrophobicContact CB-CB 3.74Å; A340-V402 HydrophobicContact CB-CG2 3.58Å
341	G	95.3	Very high	90.8	Very high	38 Å²	38	52.1 Å²	52.1	39%	0.392	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-43	178.5	0	0	0	0	0	112.4	Y337 L338 L339 L344 L345	Y337-G341 PolarHBondContact O-N 3.48Å; L338-G341 PolarHBondContact O-N 3.24Å; L339-G341 PolarHBondContact O-N 3.32Å; G341-L344 PolarHBondContact O-N 3.48Å; G341-L345 WeakPolarHBondContact O-CB 3.36Å; G341-L345 PolarHBondContact O-N 3.38Å
342	L	94.7	Very high	90.5	Very high	101 Å²	101	51.8 Å²	51.8	53%	0.529	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-48.8	176.6	-178.3	63.8	0	0	0	111.5	L338 L339 A340 L344 L345 V346	L338-L342 WeakPolarHBondContact O-CB 3.11Å; L338-L342 PolarHBondContact O-N 3.1Å; L339-L342 PolarHBondContact O-N 3.46Å; A340-L342 VanDerWaalsContact C-N 3.35Å; A340-L342 PolarHBondContact O-N 3.15Å; L342-L344 PolarHBondContact O-N 3.41Å; L342-L345 PolarHBondContact O-N 2.87Å; L342-V346 HydrophobicContact CD1-CG2 4.4Å; L342-V346 VanDerWaalsContact O-CG2 3.29Å; L342-V346 WeakPolarHBondContact O-CG2 3.36Å; L342-V346 PolarHBondContact O-N 3.02Å
343	C	93.1	Very high	89.8	Confident	22 Å²	22	54.3 Å²	54.3	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-48.8	176.9	-71.4	0	0	0	0	111.3	L339 A340 L345 V346 A347 V394 G398	L339-C343 WeakPolarHBondContact O-CB 2.97Å; L339-C343 PolarHBondContact O-N 3.2Å; L339-C343 PolarHBondContact O-SG 3.03Å; A340-C343 PolarHBondContact O-N 3.34Å; C343-L345 VanDerWaalsContact C-N 3.33Å; C343-L345 PolarHBondContact O-N 3.48Å; C343-V346 PolarHBondContact O-N 3.41Å; C343-A347 WeakPolarHBondContact O-CB 3.35Å; C343-A347 PolarHBondContact O-N 2.99Å; C343-V394 HydrophobicContact CB-CG1 4.09Å; C343-V394 WeakPolarHBondContact O-CG1 3.25Å; C343-G398 VanDerWaalsContact CB-CA 3.49Å
344	L	92.8	Very high	88.9	Confident	54 Å²	54	62 Å²	62	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-35.2	-179.3	-65	172	0	0	0	112.4	L291 A340 G341 L342 G348 V402	L291-L344 HydrophobicContact CD1-CD1 3.8Å; L291-L344 HydrophobicContact CD1-CD2 4.11Å; L291-L344 HydrophobicContact CD2-CD1 4.36Å; L291-L344 HydrophobicContact CD2-CD2 3.68Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.24Å; G341-L344 PolarHBondContact O-N 3.48Å; L342-L344 PolarHBondContact O-N 3.41Å; L344-G348 PolarHBondContact O-N 2.92Å; L344-V402 HydrophobicContact CD1-CG2 4.42Å
345	L	91.5	Very high	87.9	Confident	104 Å²	104	61.7 Å²	61.7	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-47	173.4	-179.4	63.3	0	0	0	111	G341 L342 C343 G348 L349	G341-L345 WeakPolarHBondContact O-CB 3.36Å; G341-L345 PolarHBondContact O-N 3.38Å; L342-L345 PolarHBondContact O-N 2.87Å; C343-L345 VanDerWaalsContact C-N 3.33Å; C343-L345 PolarHBondContact O-N 3.48Å; L345-G348 PolarHBondContact O-N 3.39Å; L345-L349 HydrophobicContact CD1-CD1 4.41Å; L345-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 WeakPolarHBondContact O-CG 3.24Å; L345-L349 PolarHBondContact O-N 3.47Å
346	V	89.7	Confident	86.5	Confident	40 Å²	40	64.6 Å²	64.6	24%	0.242	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-48.4	176	171	0	0	0	0	110.3	L342 C343 G348 L349 L350 L355 V394	L342-V346 HydrophobicContact CD1-CG2 4.4Å; L342-V346 VanDerWaalsContact O-CG2 3.29Å; L342-V346 WeakPolarHBondContact O-CG2 3.36Å; L342-V346 PolarHBondContact O-N 3.02Å; C343-V346 PolarHBondContact O-N 3.41Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 2.97Å; V346-L349 PolarHBondContact O-N 2.98Å; V346-L350 HydrophobicContact CG1-CD1 3.9Å; V346-L350 HydrophobicContact CG1-CG 4.24Å; V346-L350 WeakPolarHBondContact O-CB 3.2Å; V346-L350 VanDerWaalsContact O-CG 3.22Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.37Å; V346-L355 HydrophobicContact CG1-CD2 4.12Å; V346-V394 HydrophobicContact CB-CG1 4.16Å; V346-V394 HydrophobicContact CG1-CG1 4.09Å
347	A	88.4	Confident	85	Confident	8 Å²	8	65.8 Å²	65.8	7%	0.066	38%	0.378	C	S	.	.	H	α-helix	trans	-57.6	-40.8	176.4	0	0	0	0	0	112.2	C343 R351 V394 A395	C343-A347 WeakPolarHBondContact O-CB 3.35Å; C343-A347 PolarHBondContact O-N 2.99Å; A347-R351 WeakPolarHBondContact O-CB 3.43Å; A347-R351 PolarHBondContact O-N 2.86Å; A347-V394 HydrophobicContact CB-CB 4.38Å; A347-V394 HydrophobicContact CB-CG1 4.1Å; A347-A395 HydrophobicContact CB-CB 4.17Å
348	G	87.3	Confident	83.3	Confident	39 Å²	39	69.2 Å²	69.2	40%	0.402	40%	0.399	S	S	.	.	H	α-helix	trans	-65.2	-43	175.1	0	0	0	0	0	113.5	L344 L345 V346 R351 A352	L344-G348 PolarHBondContact O-N 2.92Å; L345-G348 PolarHBondContact O-N 3.39Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 2.97Å; G348-R351 PolarHBondContact O-N 3.49Å; G348-A352 WeakPolarHBondContact O-CB 3.29Å; G348-A352 PolarHBondContact O-N 3.35Å
349	L	87	Confident	81.3	Confident	63 Å²	63	69.6 Å²	69.6	33%	0.33	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-37.5	177.9	-69.7	173.9	0	0	0	112.4	L345 V346 A352 G353 K354 L355	L345-L349 HydrophobicContact CD1-CD1 4.41Å; L345-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 WeakPolarHBondContact O-CG 3.24Å; L345-L349 PolarHBondContact O-N 3.47Å; V346-L349 PolarHBondContact O-N 2.98Å; L349-A352 PolarHBondContact O-N 3.09Å; L349-G353 PolarHBondContact O-N 3.29Å; L349-K354 HydrophobicContact CD2-CB 4.23Å; L349-K354 HydrophobicContact CD2-CD 4.3Å; L349-K354 PolarHBondContact O-N 3.22Å; L349-K354 VanDerWaalsContact O-N 3.09Å; L349-L355 HydrophobicContact CB-CB 3.94Å; L349-L355 PolarHBondContact O-N 3.31Å
350	L	84.2	Confident	79.4	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-44.6	172.6	-69	173.6	0	0	0	111.3	V346 A352 G353 L355 I357 Q387 M390 I391	V346-L350 HydrophobicContact CG1-CD1 3.9Å; V346-L350 HydrophobicContact CG1-CG 4.24Å; V346-L350 WeakPolarHBondContact O-CB 3.2Å; V346-L350 VanDerWaalsContact O-CG 3.22Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.37Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.21Å; L350-G353 PolarHBondContact O-N 3.25Å; L350-L355 HydrophobicContact CD2-CB 4.01Å; L350-L355 HydrophobicContact CD2-CD2 3.87Å; L350-L355 HydrophobicContact CD2-CG 3.94Å; L350-L355 WeakPolarHBondContact CD2-O 3.32Å; L350-L355 HydrophobicContact CG-CD2 4.21Å; L350-I357 HydrophobicContact CD1-CD1 3.92Å; L350-I357 HydrophobicContact CD2-CD1 3.34Å; L350-I357 HydrophobicContact CD2-CG1 3.53Å; L350-I357 HydrophobicContact CG-CD1 4.21Å; L350-Q387 PolarHBondContact O-NE2 3.32Å; L350-M390 HydrophobicContact CD1-CE 4.08Å; L350-M390 HydrophobicContact CD1-CG 4.28Å; L350-M390 HydrophobicContact CD2-CE 4Å; L350-I391 HydrophobicContact CB-CD1 4.32Å; L350-I391 HydrophobicContact CB-CG1 3.7Å; L350-I391 HydrophobicContact CD1-CG1 4.42Å
351	R	82.9	Confident	77.7	Confident	153 Å²	153	75 Å²	75	58%	0.577	43%	0.426	S	S	*	.	H	α-helix	trans	-65.8	-34.9	177.1	-173.6	174	-178	139.7	2.9	112.3	S297 A347 G348 G353 I391	S297-R351 PolarHBondContact O-NH1 3.12Å; A347-R351 WeakPolarHBondContact O-CB 3.43Å; A347-R351 PolarHBondContact O-N 2.86Å; G348-R351 PolarHBondContact O-N 3.49Å; R351-G353 PolarHBondContact O-N 3.35Å; R351-I391 HydrophobicContact CB-CD1 4.23Å
352	A	80.3	Confident	75.8	Confident	66 Å²	66	74.1 Å²	74.1	55%	0.545	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.9	177.1	0	0	0	0	0	113.8	G348 L349 L350 K354	G348-A352 WeakPolarHBondContact O-CB 3.29Å; G348-A352 PolarHBondContact O-N 3.35Å; L349-A352 PolarHBondContact O-N 3.09Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.21Å; A352-K354 HydrophobicContact CB-CG 4.28Å; A352-K354 PolarHBondContact O-N 3.35Å; A352-K354 VanDerWaalsContact O-N 3.12Å
353	G	75	Confident	73.8	Confident	54 Å²	54	73.6 Å²	73.6	56%	0.557	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	7.7	-175.6	0	0	0	0	0	114.5	L349 L350 R351	L349-G353 PolarHBondContact O-N 3.29Å; L350-G353 PolarHBondContact O-N 3.25Å; R351-G353 PolarHBondContact O-N 3.35Å
354	K	72.4	Confident	72.1	Confident	174 Å²	174	77.7 Å²	77.7	76%	0.757	43%	0.432	S	S	*	.	S	Bend	trans	-78	-25.3	178.8	-72.3	-170.3	175.1	-173.2	0	112.7	L349 A352	L349-K354 HydrophobicContact CD2-CB 4.23Å; L349-K354 HydrophobicContact CD2-CD 4.3Å; L349-K354 PolarHBondContact O-N 3.22Å; L349-K354 VanDerWaalsContact O-N 3.09Å; A352-K354 HydrophobicContact CB-CG 4.28Å; A352-K354 PolarHBondContact O-N 3.35Å; A352-K354 VanDerWaalsContact O-N 3.12Å
355	L	68.9	Low	70.3	Confident	66 Å²	66	78.3 Å²	78.3	35%	0.346	44%	0.435	S	S	.	.	S	Bend	trans	-111.1	108.5	173	-171.2	64.7	0	0	0	107.4	V346 L349 L350 I357	V346-L355 HydrophobicContact CG1-CD2 4.12Å; L349-L355 HydrophobicContact CB-CB 3.94Å; L349-L355 PolarHBondContact O-N 3.31Å; L350-L355 HydrophobicContact CD2-CB 4.01Å; L350-L355 HydrophobicContact CD2-CD2 3.87Å; L350-L355 HydrophobicContact CD2-CG 3.94Å; L350-L355 WeakPolarHBondContact CD2-O 3.32Å; L350-L355 HydrophobicContact CG-CD2 4.21Å; L355-I357 HydrophobicContact CG-CG1 4.43Å
356	S	63.7	Low	68.4	Low	103 Å²	103	75.9 Å²	75.9	72%	0.72	42%	0.421	S	S	*	.			trans	-93.2	113	168.1	-173.1	0	0	0	0	107.3	N358	S356-N358 PolarHBondContact O-N 2.95Å
357	I	60.1	Low	66.8	Low	38 Å²	38	76.1 Å²	76.1	20%	0.195	42%	0.424	C	S	.	.			trans	-79	116.8	175.3	-70.1	178.5	0	0	0	107.2	L350 L355 Y359 I361 I362 M390	L350-I357 HydrophobicContact CD1-CD1 3.92Å; L350-I357 HydrophobicContact CD2-CD1 3.34Å; L350-I357 HydrophobicContact CD2-CG1 3.53Å; L350-I357 HydrophobicContact CG-CD1 4.21Å; L355-I357 HydrophobicContact CG-CG1 4.43Å; I357-Y359 PolarHBondContact O-N 3.38Å; I357-I361 HydrophobicContact CG2-CB 4.04Å; I357-I361 HydrophobicContact CG2-CG2 4.47Å; I357-I362 HydrophobicContact CB-CD1 4.22Å; I357-I362 HydrophobicContact CB-CG1 4.36Å; I357-I362 HydrophobicContact CG2-CD1 4Å; I357-I362 HydrophobicContact CG2-CG1 3.68Å; I357-M390 HydrophobicContact CB-CE 3.9Å; I357-M390 HydrophobicContact CB-SD 4.18Å; I357-M390 HydrophobicContact CD1-CE 3.44Å; I357-M390 VanDerWaalsContact CD1-CE 3.44Å; I357-M390 HydrophobicContact CD1-CG 4.43Å; I357-M390 HydrophobicContact CD1-SD 3.22Å; I357-M390 WeakPolarHBondContact CD1-SD 3.45Å; I357-M390 HydrophobicContact CG1-CE 4.02Å; I357-M390 HydrophobicContact CG1-SD 4.21Å; I357-M390 HydrophobicContact CG2-CE 4.46Å; I357-M390 HydrophobicContact CG2-SD 4.15Å
358	N	58.3	Low	65.4	Low	122 Å²	122	81.3 Å²	81.3	65%	0.652	45%	0.45	S	S	*	.			trans	-53.9	126	169	-76.7	-31	0	0	0	109	S356 P360 I361	S356-N358 PolarHBondContact O-N 2.95Å; N358-P360 VanDerWaalsContact C-N 3.26Å; N358-P360 HydrophobicContact CB-CG 4.18Å; N358-P360 VanDerWaalsContact O-CD 3.23Å; N358-P360 WeakPolarHBondContact O-CD 3.22Å; N358-I361 PolarHBondContact O-N 3.19Å
359	Y	53.2	Low	64.1	Low	140 Å²	140	86.9 Å²	86.9	55%	0.549	46%	0.464	S	S	.	.	H	α-helix	trans	-34	-38.2	177.7	-76.1	-87.5	0	0	0	117.2	I357 I361 I362 V363 S383	I357-Y359 PolarHBondContact O-N 3.38Å; Y359-I361 PolarHBondContact O-N 3.04Å; Y359-I362 WeakPolarHBondContact O-CB 3.5Å; Y359-I362 PolarHBondContact O-N 2.95Å; Y359-V363 WeakPolarHBondContact O-CG2 3.47Å; Y359-V363 PolarHBondContact O-N 3.43Å; Y359-S383 WeakPolarHBondContact OH-CB 3.41Å
360	P	54.1	Low	62.4	Low	94 Å²	94	85.5 Å²	85.5	61%	0.61	46%	0.458	S	S	*	.	H	α-helix	trans	-58.9	-36.1	-179.5	17.7	-34.2	0	0	0	115.7	N358 L364	N358-P360 VanDerWaalsContact C-N 3.26Å; N358-P360 HydrophobicContact CB-CG 4.18Å; N358-P360 VanDerWaalsContact O-CD 3.23Å; N358-P360 WeakPolarHBondContact O-CD 3.22Å; P360-L364 WeakPolarHBondContact O-CB 3.37Å; P360-L364 PolarHBondContact O-N 3.3Å
361	I	59.6	Low	60.6	Low	95 Å²	95	94.1 Å²	94.1	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-73	-36.3	178.8	-62.1	172.1	0	0	0	110.2	I357 N358 Y359 L364 I365	I357-I361 HydrophobicContact CG2-CB 4.04Å; I357-I361 HydrophobicContact CG2-CG2 4.47Å; N358-I361 PolarHBondContact O-N 3.19Å; Y359-I361 PolarHBondContact O-N 3.04Å; I361-L364 PolarHBondContact O-N 2.73Å; I361-I365 HydrophobicContact CG2-CD1 3.77Å; I361-I365 HydrophobicContact CG2-CG1 4.35Å; I361-I365 WeakPolarHBondContact O-CG1 3.39Å; I361-I365 PolarHBondContact O-N 3.27Å
362	I	54.5	Low	59.1	Low	20 Å²	20	91.8 Å²	91.8	10%	0.103	50%	0.495	C	S	.	.	H	α-helix	trans	-61	-48.1	174.4	-66.7	167.1	0	0	0	109.7	I357 Y359 L364 I365 H366 D386 M390	I357-I362 HydrophobicContact CB-CD1 4.22Å; I357-I362 HydrophobicContact CB-CG1 4.36Å; I357-I362 HydrophobicContact CG2-CD1 4Å; I357-I362 HydrophobicContact CG2-CG1 3.68Å; Y359-I362 WeakPolarHBondContact O-CB 3.5Å; Y359-I362 PolarHBondContact O-N 2.95Å; I362-L364 VanDerWaalsContact C-N 3.32Å; I362-L364 PolarHBondContact O-N 3.21Å; I362-I365 PolarHBondContact O-N 3.36Å; I362-H366 WeakPolarHBondContact O-CA 3.32Å; I362-H366 WeakPolarHBondContact O-CB 3.47Å; I362-H366 PolarHBondContact O-N 3.16Å; I362-D386 HydrophobicContact CG2-CB 3.91Å; I362-M390 HydrophobicContact CD1-CE 4.11Å; I362-M390 HydrophobicContact CD1-SD 4.36Å; I362-M390 HydrophobicContact CG1-CE 4.18Å; I362-M390 HydrophobicContact CG1-SD 3.76Å
363	V	52.8	Low	57.5	Low	89 Å²	89	96.3 Å²	96.3	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-37.8	178.5	176.1	0	0	0	0	111.4	Y359 S367	Y359-V363 WeakPolarHBondContact O-CG2 3.47Å; Y359-V363 PolarHBondContact O-N 3.43Å; V363-S367 WeakPolarHBondContact O-CB 3.23Å; V363-S367 PolarHBondContact O-N 3.47Å; V363-S367 PolarHBondContact O-OG 3.32Å
364	L	56.8	Low	56.1	Low	108 Å²	108	96.7 Å²	96.7	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-67.1	-45.5	177.8	-170.9	67.9	0	0	0	112	P360 I361 I362 S367 L368	P360-L364 WeakPolarHBondContact O-CB 3.37Å; P360-L364 PolarHBondContact O-N 3.3Å; I361-L364 PolarHBondContact O-N 2.73Å; I362-L364 VanDerWaalsContact C-N 3.32Å; I362-L364 PolarHBondContact O-N 3.21Å; L364-S367 PolarHBondContact O-OG 3.49Å; L364-L368 HydrophobicContact CG-CD1 4.34Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 WeakPolarHBondContact O-CD1 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 2.64Å; L364-L368 VanDerWaalsContact O-N 3.13Å
365	I	55.1	Low	54.7	Low	68 Å²	68	93 Å²	93	35%	0.349	51%	0.505	S	S	.	.	H	α-helix	trans	-72.6	-43.3	179.1	-63.6	173.9	0	0	0	110.7	I361 I362 S367 L368 F369	I361-I365 HydrophobicContact CG2-CD1 3.77Å; I361-I365 HydrophobicContact CG2-CG1 4.35Å; I361-I365 WeakPolarHBondContact O-CG1 3.39Å; I361-I365 PolarHBondContact O-N 3.27Å; I362-I365 PolarHBondContact O-N 3.36Å; I365-S367 VanDerWaalsContact C-N 3.33Å; I365-S367 PolarHBondContact O-N 3.46Å; I365-L368 PolarHBondContact O-N 3.09Å; I365-F369 HydrophobicContact CG2-CD2 3.84Å; I365-F369 HydrophobicContact CG2-CE2 4.36Å; I365-F369 WeakPolarHBondContact O-CD2 3.37Å; I365-F369 PolarHBondContact O-N 2.87Å
366	H	51.3	Low	53.5	Low	52 Å²	52	95.4 Å²	95.4	24%	0.241	53%	0.527	C	S	.	.	H	α-helix	trans	-63	-38.4	176.6	-173.8	-85.1	0	0	0	111.8	I362 V370 R371	I362-H366 WeakPolarHBondContact O-CA 3.32Å; I362-H366 WeakPolarHBondContact O-CB 3.47Å; I362-H366 PolarHBondContact O-N 3.16Å; H366-V370 VanDerWaalsContact NE2-CG1 3.31Å; H366-V370 WeakPolarHBondContact NE2-CG1 3.38Å; H366-V370 WeakPolarHBondContact O-CA 3.45Å; H366-V370 WeakPolarHBondContact O-CB 3.34Å; H366-V370 PolarHBondContact O-N 3.37Å; H366-R371 PolarHBondContact O-N 3.16Å
367	S	56.1	Low	52.6	Low	45 Å²	45	96.6 Å²	96.6	32%	0.315	53%	0.53	S	S	.	.	H	α-helix	trans	-69.4	-33.4	175.5	61.6	0	0	0	0	113.2	V363 L364 I365	V363-S367 WeakPolarHBondContact O-CB 3.23Å; V363-S367 PolarHBondContact O-N 3.47Å; V363-S367 PolarHBondContact O-OG 3.32Å; L364-S367 PolarHBondContact O-OG 3.49Å; I365-S367 VanDerWaalsContact C-N 3.33Å; I365-S367 PolarHBondContact O-N 3.46Å
368	L	60.3	Low	51.5	Low	117 Å²	117	101.4 Å²	101.4	61%	0.613	56%	0.556	S	S	*	*	H	α-helix	trans	-76	-36.3	176.7	-76.1	167.8	0	0	0	113.4	L364 I365	L364-L368 HydrophobicContact CG-CD1 4.34Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 WeakPolarHBondContact O-CD1 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 2.64Å; L364-L368 VanDerWaalsContact O-N 3.13Å; I365-L368 PolarHBondContact O-N 3.09Å
369	F	58.3	Low	50.7	Low	157 Å²	157	102.9 Å²	102.9	69%	0.689	56%	0.563	S	S	*	*	H	α-helix	trans	-111.9	-31.7	-170.5	-69.1	-79.3	0	0	0	115.4	I365	I365-F369 HydrophobicContact CG2-CD2 3.84Å; I365-F369 HydrophobicContact CG2-CE2 4.36Å; I365-F369 WeakPolarHBondContact O-CD2 3.37Å; I365-F369 PolarHBondContact O-N 2.87Å
370	V	52.4	Low	49.9	Very low	33 Å²	33	105.2 Å²	105.2	20%	0.2	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.6	-36.1	-167.7	-173.9	0	0	0	0	112.7	H366 P372 L373	H366-V370 VanDerWaalsContact NE2-CG1 3.31Å; H366-V370 WeakPolarHBondContact NE2-CG1 3.38Å; H366-V370 WeakPolarHBondContact O-CA 3.45Å; H366-V370 WeakPolarHBondContact O-CB 3.34Å; H366-V370 PolarHBondContact O-N 3.37Å; V370-P372 VanDerWaalsContact C-N 3.29Å; V370-P372 VanDerWaalsContact O-N 3.14Å; V370-L373 PolarHBondContact O-N 3.35Å
371	R	45.9	Very low	49.4	Very low	183 Å²	183	105.5 Å²	105.5	69%	0.691	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-31.2	-179.8	-111.3	-175.8	-179.3	178.3	0.5	115.8	H366 L373	H366-R371 PolarHBondContact O-N 3.16Å; R371-L373 PolarHBondContact O-N 2.73Å; R371-L373 VanDerWaalsContact O-N 3.14Å
372	P	51.3	Low	48.9	Very low	104 Å²	104	102.2 Å²	102.2	68%	0.675	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-13.1	175	-22.1	33.3	0	0	0	114.5	V370	V370-P372 VanDerWaalsContact C-N 3.29Å; V370-P372 VanDerWaalsContact O-N 3.14Å
373	L	47.3	Very low	49	Very low	161 Å²	161	103.6 Å²	103.6	84%	0.843	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-8.6	-168.5	-142.8	75.4	0	0	0	116.5	V370 R371	V370-L373 PolarHBondContact O-N 3.35Å; R371-L373 PolarHBondContact O-N 2.73Å; R371-L373 VanDerWaalsContact O-N 3.14Å
374	S	45.5	Very low	49.5	Very low	62 Å²	62	104 Å²	104	43%	0.434	58%	0.575	S	S	.	*			trans	-144.8	91.9	179.7	61.5	0	0	0	0	112.2
375	A	43.6	Very low	50.2	Low	95 Å²	95	101.1 Å²	101.1	79%	0.785	56%	0.564	S	S	*	*			trans	-76.6	135.1	163.2	0	0	0	0	0	108.5
376	S	43.2	Very low	51	Low	117 Å²	117	99.2 Å²	99.2	82%	0.818	55%	0.554	S	S	*	*			trans	79.9	84.8	174.6	67.2	0	0	0	0	118.5
377	V	43.7	Very low	52.2	Low	128 Å²	128	100 Å²	100	78%	0.776	56%	0.558	S	S	*	*			trans	-147.8	137.9	152.7	-176.2	0	0	0	0	110.1
378	D	37.7	Very low	53.5	Low	140 Å²	140	102.4 Å²	102.4	75%	0.749	56%	0.563	S	S	*	*			trans	-76.6	157.6	-173.6	-66.2	-52.6	0	0	0	116.1	T381	D378-T381 PolarHBondContact O-OG1 3.41Å
379	L	41	Very low	54.6	Low	152 Å²	152	100.1 Å²	100.1	80%	0.796	55%	0.551	S	S	*	*	S	Bend	trans	-81.3	-20	-153.3	-153.5	73.7	0	0	0	117	S382	L379-S382 WeakPolarHBondContact O-CB 3.27Å; L379-S382 PolarHBondContact O-OG 3.18Å
380	E	37.3	Very low	55.7	Low	189 Å²	189	93.7 Å²	93.7	88%	0.883	52%	0.523	S	S	*	.	S	Bend	trans	-90.5	-32.6	-176.1	-90.2	180	156.1	0	0	114.1	S382	E380-S382 PolarHBondContact O-N 2.84Å
381	T	44.2	Very low	57.3	Low	101 Å²	101	92.7 Å²	92.7	62%	0.62	52%	0.516	S	S	*	.	S	Bend	trans	-70.3	-12.7	167.7	35.7	0	0	0	0	113.1	D378 S383 S385	D378-T381 PolarHBondContact O-OG1 3.41Å; T381-S383 PolarHBondContact O-N 3.3Å; T381-S385 PolarHBondContact O-OG 2.69Å; T381-S385 VanDerWaalsContact O-OG 3.13Å
382	S	47.9	Very low	59.3	Low	25 Å²	25	84.4 Å²	84.4	18%	0.175	49%	0.486	C	S	.	.	H	α-helix	trans	-63.7	-40.2	-174.1	73.7	0	0	0	0	113.4	L379 E380 L384 S385 D386	L379-S382 WeakPolarHBondContact O-CB 3.27Å; L379-S382 PolarHBondContact O-OG 3.18Å; E380-S382 PolarHBondContact O-N 2.84Å; S382-L384 PolarHBondContact O-N 3.44Å; S382-S385 WeakPolarHBondContact CA-OG 3.27Å; S382-S385 PolarHBondContact O-N 3.46Å; S382-S385 PolarHBondContact O-OG 3.01Å; S382-D386 WeakPolarHBondContact O-CB 3.2Å; S382-D386 PolarHBondContact O-N 3.18Å; S382-D386 VanDerWaalsContact O-OD1 3.14Å
383	S	57.3	Low	61.1	Low	50 Å²	50	83 Å²	83	35%	0.35	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-46.6	-170.2	63.3	0	0	0	0	114.1	Y359 T381 Q387	Y359-S383 WeakPolarHBondContact OH-CB 3.41Å; T381-S383 PolarHBondContact O-N 3.3Å; S383-Q387 PolarHBondContact O-N 3.37Å; S383-Q387 VanDerWaalsContact O-N 3.12Å
384	L	63.6	Low	63.1	Low	97 Å²	97	76.8 Å²	76.8	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-74.2	-37.6	179.1	-174.9	66.6	0	0	0	111.6	S382 D386 K388	S382-L384 PolarHBondContact O-N 3.44Å; L384-D386 VanDerWaalsContact C-N 3.32Å; L384-K388 WeakPolarHBondContact O-CG 3.47Å; L384-K388 PolarHBondContact O-N 2.99Å; L384-K388 VanDerWaalsContact O-N 3.15Å
385	S	70	Confident	65.3	Low	47 Å²	47	74.2 Å²	74.2	33%	0.329	42%	0.423	S	S	.	.	H	α-helix	trans	-63.7	-41.5	174.7	54.1	0	0	0	0	111.1	T381 S382 K388 I389	T381-S385 PolarHBondContact O-OG 2.69Å; T381-S385 VanDerWaalsContact O-OG 3.13Å; S382-S385 WeakPolarHBondContact CA-OG 3.27Å; S382-S385 PolarHBondContact O-N 3.46Å; S382-S385 PolarHBondContact O-OG 3.01Å; S385-K388 PolarHBondContact O-N 3.44Å; S385-I389 WeakPolarHBondContact O-CB 3.34Å; S385-I389 WeakPolarHBondContact O-CD1 3.36Å; S385-I389 WeakPolarHBondContact O-CG1 3.38Å; S385-I389 PolarHBondContact O-N 3.27Å
386	D	72.7	Confident	67.6	Low	29 Å²	29	70.3 Å²	70.3	16%	0.155	39%	0.389	C	S	.	.	H	α-helix	trans	-66.4	-41.8	-178.1	-68.1	-7.2	0	0	0	110.9	I362 S382 L384 K388 I389 M390	I362-D386 HydrophobicContact CG2-CB 3.91Å; S382-D386 WeakPolarHBondContact O-CB 3.2Å; S382-D386 PolarHBondContact O-N 3.18Å; S382-D386 VanDerWaalsContact O-OD1 3.14Å; L384-D386 VanDerWaalsContact C-N 3.32Å; D386-K388 PolarHBondContact O-N 3.5Å; D386-I389 PolarHBondContact O-N 3.08Å; D386-M390 VanDerWaalsContact O-CB 3.27Å; D386-M390 WeakPolarHBondContact O-CB 3.28Å; D386-M390 PolarHBondContact O-N 3.45Å
387	Q	76.8	Confident	69.9	Low	68 Å²	68	66.7 Å²	66.7	32%	0.318	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174.3	-170.2	-177.9	10.7	0	0	111.7	L350 S383 M390 I391	L350-Q387 PolarHBondContact O-NE2 3.32Å; S383-Q387 PolarHBondContact O-N 3.37Å; S383-Q387 VanDerWaalsContact O-N 3.12Å; Q387-M390 PolarHBondContact O-N 3.1Å; Q387-I391 HydrophobicContact CG-CD1 4.16Å; Q387-I391 VanDerWaalsContact O-CG1 3.29Å; Q387-I391 WeakPolarHBondContact O-CG1 3.22Å; Q387-I391 PolarHBondContact O-N 3.27Å
388	K	82.7	Confident	72.3	Confident	96 Å²	96	60.6 Å²	60.6	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-46.7	177.5	-74.3	178.8	-178.4	176.6	0	111.5	P299 L384 S385 D386 M390 I391 T392	P299-K388 HydrophobicContact CB-CB 3.64Å; P299-K388 HydrophobicContact CB-CD 4.27Å; P299-K388 HydrophobicContact CB-CG 3.76Å; L384-K388 WeakPolarHBondContact O-CG 3.47Å; L384-K388 PolarHBondContact O-N 2.99Å; L384-K388 VanDerWaalsContact O-N 3.15Å; S385-K388 PolarHBondContact O-N 3.44Å; D386-K388 PolarHBondContact O-N 3.5Å; K388-M390 VanDerWaalsContact C-N 3.31Å; K388-M390 PolarHBondContact O-N 3.44Å; K388-I391 PolarHBondContact O-N 3.22Å; K388-T392 PolarHBondContact O-N 3.03Å; K388-T392 VanDerWaalsContact O-N 3.1Å; K388-T392 PolarHBondContact O-OG1 3.5Å; K388-T392 VanDerWaalsContact O-OG1 3.14Å
389	I	83.2	Confident	74.9	Confident	69 Å²	69	54.1 Å²	54.1	35%	0.354	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-45.8	177.4	-70.5	164.2	0	0	0	110	S385 D386 T392 I393	S385-I389 WeakPolarHBondContact O-CB 3.34Å; S385-I389 WeakPolarHBondContact O-CD1 3.36Å; S385-I389 WeakPolarHBondContact O-CG1 3.38Å; S385-I389 PolarHBondContact O-N 3.27Å; D386-I389 PolarHBondContact O-N 3.08Å; I389-T392 PolarHBondContact O-N 3.38Å; I389-I393 HydrophobicContact CG2-CD1 3.67Å; I389-I393 HydrophobicContact CG2-CG1 4.31Å; I389-I393 WeakPolarHBondContact O-CG1 3.36Å; I389-I393 PolarHBondContact O-N 2.82Å
390	M	81.9	Confident	77.3	Confident	21 Å²	21	48 Å²	48	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-42.8	-179.5	-176	175.1	57.3	0	0	113	L350 I357 I362 D386 Q387 K388 T392 I393 V394	L350-M390 HydrophobicContact CD1-CE 4.08Å; L350-M390 HydrophobicContact CD1-CG 4.28Å; L350-M390 HydrophobicContact CD2-CE 4Å; I357-M390 HydrophobicContact CB-CE 3.9Å; I357-M390 HydrophobicContact CB-SD 4.18Å; I357-M390 HydrophobicContact CD1-CE 3.44Å; I357-M390 VanDerWaalsContact CD1-CE 3.44Å; I357-M390 HydrophobicContact CD1-CG 4.43Å; I357-M390 HydrophobicContact CD1-SD 3.22Å; I357-M390 WeakPolarHBondContact CD1-SD 3.45Å; I357-M390 HydrophobicContact CG1-CE 4.02Å; I357-M390 HydrophobicContact CG1-SD 4.21Å; I357-M390 HydrophobicContact CG2-CE 4.46Å; I357-M390 HydrophobicContact CG2-SD 4.15Å; I362-M390 HydrophobicContact CD1-CE 4.11Å; I362-M390 HydrophobicContact CD1-SD 4.36Å; I362-M390 HydrophobicContact CG1-CE 4.18Å; I362-M390 HydrophobicContact CG1-SD 3.76Å; D386-M390 VanDerWaalsContact O-CB 3.27Å; D386-M390 WeakPolarHBondContact O-CB 3.28Å; D386-M390 PolarHBondContact O-N 3.45Å; Q387-M390 PolarHBondContact O-N 3.1Å; K388-M390 VanDerWaalsContact C-N 3.31Å; K388-M390 PolarHBondContact O-N 3.44Å; M390-T392 PolarHBondContact O-N 3.23Å; M390-I393 PolarHBondContact O-N 3.06Å; M390-V394 HydrophobicContact CG-CG2 4.49Å; M390-V394 WeakPolarHBondContact O-CG2 3.36Å; M390-V394 PolarHBondContact O-N 2.97Å
391	I	87.1	Confident	80	Confident	13 Å²	13	39.6 Å²	39.6	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-55.6	-45	173.2	-69.8	163.7	0	0	0	109.7	P299 L350 R351 Q387 K388 A395	P299-I391 HydrophobicContact CG-CB 4.44Å; P299-I391 HydrophobicContact CG-CG2 4.1Å; L350-I391 HydrophobicContact CB-CD1 4.32Å; L350-I391 HydrophobicContact CB-CG1 3.7Å; L350-I391 HydrophobicContact CD1-CG1 4.42Å; R351-I391 HydrophobicContact CB-CD1 4.23Å; Q387-I391 HydrophobicContact CG-CD1 4.16Å; Q387-I391 VanDerWaalsContact O-CG1 3.29Å; Q387-I391 WeakPolarHBondContact O-CG1 3.22Å; Q387-I391 PolarHBondContact O-N 3.27Å; K388-I391 PolarHBondContact O-N 3.22Å; I391-A395 WeakPolarHBondContact O-CB 3.12Å; I391-A395 PolarHBondContact O-N 3.44Å
392	T	88.1	Confident	82.3	Confident	8 Å²	8	34.9 Å²	34.9	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-43.6	-179.3	-60.4	0	0	0	0	112.3	L298 P299 N305 K388 I389 M390 V394 A395 I396	L298-T392 HydrophobicContact CB-CG2 4.29Å; L298-T392 HydrophobicContact CD1-CG2 4.22Å; P299-T392 PolarHBondContact O-OG1 2.99Å; N305-T392 VanDerWaalsContact OD1-CG2 3.25Å; N305-T392 WeakPolarHBondContact OD1-CG2 3.41Å; K388-T392 PolarHBondContact O-N 3.03Å; K388-T392 VanDerWaalsContact O-N 3.1Å; K388-T392 PolarHBondContact O-OG1 3.5Å; K388-T392 VanDerWaalsContact O-OG1 3.14Å; I389-T392 PolarHBondContact O-N 3.38Å; M390-T392 PolarHBondContact O-N 3.23Å; T392-V394 PolarHBondContact O-N 2.64Å; T392-A395 PolarHBondContact O-N 3.43Å; T392-I396 HydrophobicContact CG2-CD1 3.66Å; T392-I396 HydrophobicContact CG2-CG1 4.28Å; T392-I396 WeakPolarHBondContact O-CB 3.39Å; T392-I396 VanDerWaalsContact O-CG1 3.24Å; T392-I396 WeakPolarHBondContact O-CG1 3.32Å; T392-I396 PolarHBondContact O-N 2.87Å
393	I	88.7	Confident	84.4	Confident	75 Å²	75	33.9 Å²	33.9	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-49.7	176.1	-70.1	168.9	0	0	0	110.7	I389 M390 A395 I396 A397	I389-I393 HydrophobicContact CG2-CD1 3.67Å; I389-I393 HydrophobicContact CG2-CG1 4.31Å; I389-I393 WeakPolarHBondContact O-CG1 3.36Å; I389-I393 PolarHBondContact O-N 2.82Å; M390-I393 PolarHBondContact O-N 3.06Å; I393-A395 PolarHBondContact O-N 2.85Å; I393-I396 PolarHBondContact O-N 3.38Å; I393-A397 WeakPolarHBondContact O-CB 3.33Å; I393-A397 PolarHBondContact O-N 3.46Å
394	V	89.8	Confident	86	Confident	30 Å²	30	31.5 Å²	31.5	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-39.5	-178.5	178.2	0	0	0	0	111	C343 V346 A347 M390 T392 A397 G398	C343-V394 HydrophobicContact CB-CG1 4.09Å; C343-V394 WeakPolarHBondContact O-CG1 3.25Å; V346-V394 HydrophobicContact CB-CG1 4.16Å; V346-V394 HydrophobicContact CG1-CG1 4.09Å; A347-V394 HydrophobicContact CB-CB 4.38Å; A347-V394 HydrophobicContact CB-CG1 4.1Å; M390-V394 HydrophobicContact CG-CG2 4.49Å; M390-V394 WeakPolarHBondContact O-CG2 3.36Å; M390-V394 PolarHBondContact O-N 2.97Å; T392-V394 PolarHBondContact O-N 2.64Å; V394-A397 PolarHBondContact O-N 3.38Å; V394-G398 PolarHBondContact O-N 3.5Å
395	A	91.6	Very high	87.3	Confident	9 Å²	9	26.9 Å²	26.9	7%	0.074	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-41.9	176.7	0	0	0	0	0	112.4	L298 A347 I391 T392 I393 G398 R399	L298-A395 HydrophobicContact CD2-CB 3.57Å; A347-A395 HydrophobicContact CB-CB 4.17Å; I391-A395 WeakPolarHBondContact O-CB 3.12Å; I391-A395 PolarHBondContact O-N 3.44Å; T392-A395 PolarHBondContact O-N 3.43Å; I393-A395 PolarHBondContact O-N 2.85Å; A395-G398 PolarHBondContact O-N 2.93Å; A395-R399 WeakPolarHBondContact O-CB 3.23Å; A395-R399 PolarHBondContact O-N 3.02Å
396	I	92	Very high	88.2	Confident	12 Å²	12	25.3 Å²	25.3	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-42.6	175.3	-70.2	173	0	0	0	110.1	L298 I308 V312 T392 I393 G398 R399 T400	L298-I396 HydrophobicContact CD1-CG1 4.11Å; I308-I396 HydrophobicContact CB-CD1 4.23Å; I308-I396 HydrophobicContact CG2-CD1 3.83Å; I308-I396 HydrophobicContact CG2-CG2 4Å; V312-I396 HydrophobicContact CG1-CG2 4.2Å; V312-I396 HydrophobicContact CG2-CG2 4.11Å; T392-I396 HydrophobicContact CG2-CD1 3.66Å; T392-I396 HydrophobicContact CG2-CG1 4.28Å; T392-I396 WeakPolarHBondContact O-CB 3.39Å; T392-I396 VanDerWaalsContact O-CG1 3.24Å; T392-I396 WeakPolarHBondContact O-CG1 3.32Å; T392-I396 PolarHBondContact O-N 2.87Å; I393-I396 PolarHBondContact O-N 3.38Å; I396-G398 VanDerWaalsContact C-N 3.34Å; I396-G398 PolarHBondContact O-N 3.45Å; I396-R399 WeakPolarHBondContact O-CB 3.44Å; I396-R399 PolarHBondContact O-N 3.28Å; I396-R399 VanDerWaalsContact O-N 3.16Å; I396-T400 PolarHBondContact O-N 3.21Å; I396-T400 PolarHBondContact O-OG1 3.47Å
397	A	91.1	Very high	88.8	Confident	41 Å²	41	24.6 Å²	24.6	34%	0.339	13%	0.134	S	C	.	.	H	α-helix	trans	-59.1	-45.2	175.2	0	0	0	0	0	111.9	I393 V394 R399 T400 C401	I393-A397 WeakPolarHBondContact O-CB 3.33Å; I393-A397 PolarHBondContact O-N 3.46Å; V394-A397 PolarHBondContact O-N 3.38Å; A397-R399 VanDerWaalsContact C-N 3.33Å; A397-R399 PolarHBondContact O-N 3.12Å; A397-T400 PolarHBondContact O-N 2.97Å; A397-C401 PolarHBondContact O-N 2.94Å; A397-C401 VanDerWaalsContact O-N 3.08Å; A397-C401 PolarHBondContact O-SG 3.44Å
398	G	93.1	Very high	89.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-43.6	174.2	0	0	0	0	0	112.2	C343 V394 A395 I396 C401 V402	C343-G398 VanDerWaalsContact CB-CA 3.49Å; V394-G398 PolarHBondContact O-N 3.5Å; A395-G398 PolarHBondContact O-N 2.93Å; I396-G398 VanDerWaalsContact C-N 3.34Å; I396-G398 PolarHBondContact O-N 3.45Å; G398-C401 WeakPolarHBondContact O-CB 3.44Å; G398-C401 PolarHBondContact O-N 2.88Å; G398-V402 WeakPolarHBondContact O-CG2 3.32Å; G398-V402 PolarHBondContact O-N 3.37Å
399	R	92.7	Very high	89.2	Confident	5 Å²	5	16.8 Å²	16.8	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-43.3	176.5	-177.2	174.3	-173.1	-99.6	6.4	113	Y168 L291 S292 T295 S309 A395 I396 A397 C401 V402 A403	Y168-R399 PolarHBondContact OH-NH2 3.48Å; L291-R399 HydrophobicContact CB-CB 4.32Å; L291-R399 HydrophobicContact CB-CG 3.88Å; L291-R399 HydrophobicContact CD1-CB 4.04Å; L291-R399 HydrophobicContact CD1-CG 4.28Å; L291-R399 PolarHBondContact O-NE 3.28Å; S292-R399 PolarHBondContact OG-NE 3.22Å; S292-R399 PolarHBondContact OG-NH2 3.31Å; T295-R399 PolarHBondContact OG1-NE 2.94Å; T295-R399 PolarHBondContact OG1-NH2 3.35Å; S309-R399 VanDerWaalsContact CA-NH1 3.35Å; S309-R399 PolarHBondContact O-NH1 3.22Å; S309-R399 PolarHBondContact OG-NH1 2.83Å; A395-R399 WeakPolarHBondContact O-CB 3.23Å; A395-R399 PolarHBondContact O-N 3.02Å; I396-R399 WeakPolarHBondContact O-CB 3.44Å; I396-R399 PolarHBondContact O-N 3.28Å; I396-R399 VanDerWaalsContact O-N 3.16Å; A397-R399 VanDerWaalsContact C-N 3.33Å; A397-R399 PolarHBondContact O-N 3.12Å; R399-C401 VanDerWaalsContact C-N 3.28Å; R399-C401 PolarHBondContact O-N 2.68Å; R399-V402 WeakPolarHBondContact O-CB 3.25Å; R399-V402 PolarHBondContact O-N 3.25Å; R399-V402 VanDerWaalsContact O-N 3.16Å; R399-A403 PolarHBondContact O-N 2.74Å
400	T	91.9	Very high	88.9	Confident	23 Å²	23	15.9 Å²	15.9	14%	0.141	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-41.2	174.5	-53.6	0	0	0	0	111	V312 A316 I396 A397 A403 A404	V312-T400 HydrophobicContact CB-CG2 4.25Å; V312-T400 WeakPolarHBondContact CB-OG1 3.39Å; V312-T400 VanDerWaalsContact CG2-OG1 3.31Å; V312-T400 WeakPolarHBondContact CG2-OG1 3.45Å; A316-T400 HydrophobicContact CB-CG2 3.83Å; I396-T400 PolarHBondContact O-N 3.21Å; I396-T400 PolarHBondContact O-OG1 3.47Å; A397-T400 PolarHBondContact O-N 2.97Å; T400-A403 PolarHBondContact O-N 2.94Å; T400-A404 WeakPolarHBondContact O-CB 3.47Å; T400-A404 PolarHBondContact O-N 3.32Å
401	C	93.2	Very high	88.6	Confident	12 Å²	12	17.8 Å²	17.8	8%	0.081	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-39.7	175.6	-63	0	0	0	0	112.1	A340 A397 G398 R399 A405	A340-C401 HydrophobicContact CB-CB 3.74Å; A397-C401 PolarHBondContact O-N 2.94Å; A397-C401 VanDerWaalsContact O-N 3.08Å; A397-C401 PolarHBondContact O-SG 3.44Å; G398-C401 WeakPolarHBondContact O-CB 3.44Å; G398-C401 PolarHBondContact O-N 2.88Å; R399-C401 VanDerWaalsContact C-N 3.28Å; R399-C401 PolarHBondContact O-N 2.68Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.34Å; C401-A405 PolarHBondContact O-N 3.14Å
402	V	93.6	Very high	88.3	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-44.9	172.9	174.4	0	0	0	0	111.1	A287 L291 A340 L344 G398 R399 A405 Y406	A287-V402 HydrophobicContact CB-CG1 3.73Å; A287-V402 HydrophobicContact CB-CG2 4.23Å; L291-V402 HydrophobicContact CD1-CB 4.29Å; L291-V402 HydrophobicContact CD1-CG2 3.86Å; A340-V402 HydrophobicContact CB-CG2 3.58Å; L344-V402 HydrophobicContact CD1-CG2 4.42Å; G398-V402 WeakPolarHBondContact O-CG2 3.32Å; G398-V402 PolarHBondContact O-N 3.37Å; R399-V402 WeakPolarHBondContact O-CB 3.25Å; R399-V402 PolarHBondContact O-N 3.25Å; R399-V402 VanDerWaalsContact O-N 3.16Å; V402-A405 PolarHBondContact O-N 3.44Å; V402-Y406 VanDerWaalsContact O-CB 3.27Å; V402-Y406 WeakPolarHBondContact O-CB 3.47Å; V402-Y406 PolarHBondContact O-N 3.41Å
403	A	91.3	Very high	87.8	Confident	4 Å²	4	18 Å²	18	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-46.8	178.6	0	0	0	0	0	111.7	Y288 E313 A316 R399 T400 A405 Y406 A407	Y288-A403 HydrophobicContact CD2-CB 4.11Å; Y288-A403 HydrophobicContact CE2-CB 3.85Å; E313-A403 VanDerWaalsContact OE2-CB 3.31Å; E313-A403 WeakPolarHBondContact OE2-CB 3.25Å; A316-A403 HydrophobicContact CB-CB 4.01Å; R399-A403 PolarHBondContact O-N 2.74Å; T400-A403 PolarHBondContact O-N 2.94Å; A403-A405 PolarHBondContact O-N 3.1Å; A403-Y406 PolarHBondContact O-N 2.89Å; A403-A407 WeakPolarHBondContact O-CB 3.02Å; A403-A407 PolarHBondContact O-N 3.15Å
404	A	90.2	Very high	87	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-47.4	174.6	0	0	0	0	0	111.2	A316 T400 Y406 A407 M408	A316-A404 HydrophobicContact CB-CB 4.16Å; A316-A404 WeakPolarHBondContact O-CB 3.35Å; T400-A404 WeakPolarHBondContact O-CB 3.47Å; T400-A404 PolarHBondContact O-N 3.32Å; A404-Y406 VanDerWaalsContact C-N 3.35Å; A404-Y406 PolarHBondContact O-N 3.25Å; A404-A407 PolarHBondContact O-N 3.49Å; A404-M408 VanDerWaalsContact O-CG 3.29Å; A404-M408 WeakPolarHBondContact O-CG 3.45Å; A404-M408 PolarHBondContact O-N 3.36Å
405	A	91.4	Very high	86.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-40.7	178.1	0	0	0	0	0	112.9	L333 M336 Y337 C401 V402 A403 M408 A409	L333-A405 HydrophobicContact CD1-CB 4.28Å; L333-A405 WeakPolarHBondContact CD1-O 3.23Å; M336-A405 HydrophobicContact CB-CB 3.92Å; Y337-A405 HydrophobicContact CD1-CB 3.95Å; Y337-A405 HydrophobicContact CD2-CB 3.92Å; Y337-A405 HydrophobicContact CE1-CB 3.68Å; Y337-A405 HydrophobicContact CE2-CB 3.64Å; Y337-A405 HydrophobicContact CG-CB 4.05Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.34Å; C401-A405 PolarHBondContact O-N 3.14Å; V402-A405 PolarHBondContact O-N 3.44Å; A403-A405 PolarHBondContact O-N 3.1Å; A405-M408 HydrophobicContact CB-CE 4.3Å; A405-M408 WeakPolarHBondContact O-CB 3.27Å; A405-M408 PolarHBondContact O-N 3.2Å; A405-A409 PolarHBondContact O-N 3.12Å
406	Y	89.6	Confident	85.8	Confident	13 Å²	13	20.5 Å²	20.5	5%	0.051	12%	0.115	C	C	.	.	H	α-helix	trans	-70.9	-37.3	179.4	-171.4	-121.4	0	0	0	112.4	A285 Y288 V402 A403 A404 M408 A409 Y410 S433	A285-Y406 HydrophobicContact CB-CE2 3.8Å; Y288-Y406 HydrophobicContact CD1-CD1 4.04Å; Y288-Y406 HydrophobicContact CD1-CE1 4.15Å; Y288-Y406 HydrophobicContact CD2-CD1 4.38Å; Y288-Y406 AromaticContact CG-CD1 3.9Å; Y288-Y406 HydrophobicContact CG-CD1 3.9Å; Y288-Y406 HydrophobicContact CG-CE1 4.42Å; Y288-Y406 HydrophobicContact CG-CG 4.5Å; V402-Y406 VanDerWaalsContact O-CB 3.27Å; V402-Y406 WeakPolarHBondContact O-CB 3.47Å; V402-Y406 PolarHBondContact O-N 3.41Å; A403-Y406 PolarHBondContact O-N 2.89Å; A404-Y406 VanDerWaalsContact C-N 3.35Å; A404-Y406 PolarHBondContact O-N 3.25Å; Y406-M408 VanDerWaalsContact C-N 3.35Å; Y406-A409 WeakPolarHBondContact O-CB 3.44Å; Y406-A409 PolarHBondContact O-N 2.91Å; Y406-Y410 HydrophobicContact CE1-CE2 4.08Å; Y406-Y410 HydrophobicContact CE2-CE2 4.47Å; Y406-Y410 AromaticContact CZ-CE2 3.99Å; Y406-S433 PolarHBondContact OH-OG 3.25Å
407	A	84.7	Confident	85.1	Confident	15 Å²	15	20 Å²	20	12%	0.124	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-41.6	171.2	0	0	0	0	0	111.8	Y317 A403 A404 A409 Y410	Y317-A407 HydrophobicContact CD1-CB 3.94Å; Y317-A407 HydrophobicContact CE1-CB 4.16Å; A403-A407 WeakPolarHBondContact O-CB 3.02Å; A403-A407 PolarHBondContact O-N 3.15Å; A404-A407 PolarHBondContact O-N 3.49Å; A407-A409 VanDerWaalsContact C-N 3.28Å; A407-A409 PolarHBondContact O-N 2.88Å; A407-Y410 PolarHBondContact O-N 3.41Å
408	M	83.7	Confident	84.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-35.4	174.1	-74	-170.4	-64.1	0	0	112.6	M323 F324 A332 L333 M336 A404 A405 Y406 Y410 N411 Y412	M323-M408 HydrophobicContact CB-SD 4.45Å; F324-M408 HydrophobicContact CD1-CB 4.4Å; F324-M408 HydrophobicContact CD1-CG 3.81Å; F324-M408 HydrophobicContact CD1-SD 3.33Å; F324-M408 WeakPolarHBondContact CD1-SD 3.26Å; F324-M408 HydrophobicContact CD2-CG 4.45Å; F324-M408 HydrophobicContact CE1-CB 3.5Å; F324-M408 VanDerWaalsContact CE1-CB 3.5Å; F324-M408 HydrophobicContact CE1-CG 3.4Å; F324-M408 HydrophobicContact CE1-SD 3.28Å; F324-M408 WeakPolarHBondContact CE1-SD 3.46Å; F324-M408 HydrophobicContact CE2-CB 4.14Å; F324-M408 HydrophobicContact CE2-CG 4.08Å; F324-M408 HydrophobicContact CG-CG 4.36Å; F324-M408 HydrophobicContact CG-SD 4.22Å; F324-M408 HydrophobicContact CZ-CB 3.34Å; F324-M408 HydrophobicContact CZ-CG 3.56Å; F324-M408 WeakPolarHBondContact CZ-O 3.49Å; F324-M408 HydrophobicContact CZ-SD 4.1Å; A332-M408 HydrophobicContact CB-SD 3.95Å; L333-M408 HydrophobicContact CD1-CB 3.85Å; L333-M408 HydrophobicContact CD1-CE 4.26Å; M336-M408 HydrophobicContact CB-CE 3.85Å; M336-M408 HydrophobicContact CG-CE 3.49Å; M336-M408 VanDerWaalsContact CG-CE 3.49Å; A404-M408 VanDerWaalsContact O-CG 3.29Å; A404-M408 WeakPolarHBondContact O-CG 3.45Å; A404-M408 PolarHBondContact O-N 3.36Å; A405-M408 HydrophobicContact CB-CE 4.3Å; A405-M408 WeakPolarHBondContact O-CB 3.27Å; A405-M408 PolarHBondContact O-N 3.2Å; Y406-M408 VanDerWaalsContact C-N 3.35Å; M408-Y410 VanDerWaalsContact C-N 3.27Å; M408-Y410 PolarHBondContact O-N 2.77Å; M408-N411 PolarHBondContact O-N 3.44Å; M408-Y412 WeakPolarHBondContact O-CB 3.1Å; M408-Y412 PolarHBondContact O-N 2.85Å
409	A	84.2	Confident	83.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-33.1	-177.7	0	0	0	0	0	113.3	W281 A405 Y406 A407 A413	W281-A409 PolarHBondContact NE1-O 2.94Å; A405-A409 PolarHBondContact O-N 3.12Å; Y406-A409 WeakPolarHBondContact O-CB 3.44Å; Y406-A409 PolarHBondContact O-N 2.91Å; A407-A409 VanDerWaalsContact C-N 3.28Å; A407-A409 PolarHBondContact O-N 2.88Å; A409-A413 PolarHBondContact O-N 3.24Å
410	Y	77.6	Confident	82.4	Confident	49 Å²	49	32.3 Å²	32.3	19%	0.192	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-51	175.5	-82.5	-89.6	0	0	0	112.1	W281 Y406 A407 M408 A413 A414	W281-Y410 AromaticContact CH2-CD1 3.43Å; W281-Y410 HydrophobicContact CH2-CD1 3.43Å; W281-Y410 VanDerWaalsContact CH2-CD1 3.43Å; W281-Y410 AromaticContact CH2-CE1 3.47Å; W281-Y410 HydrophobicContact CH2-CE1 3.47Å; W281-Y410 VanDerWaalsContact CH2-CE1 3.47Å; W281-Y410 HydrophobicContact CH2-CG 4.04Å; W281-Y410 HydrophobicContact CZ2-CD1 4.02Å; W281-Y410 HydrophobicContact CZ2-CE1 4.4Å; W281-Y410 HydrophobicContact CZ2-CG 4.2Å; W281-Y410 HydrophobicContact CZ3-CD1 4.1Å; W281-Y410 AromaticContact CZ3-CE1 3.65Å; W281-Y410 HydrophobicContact CZ3-CE1 3.65Å; W281-Y410 AromaticContact CZ3-CZ 3.92Å; Y406-Y410 HydrophobicContact CE1-CE2 4.08Å; Y406-Y410 HydrophobicContact CE2-CE2 4.47Å; Y406-Y410 AromaticContact CZ-CE2 3.99Å; A407-Y410 PolarHBondContact O-N 3.41Å; M408-Y410 VanDerWaalsContact C-N 3.27Å; M408-Y410 PolarHBondContact O-N 2.77Å; Y410-A413 PolarHBondContact O-N 3.18Å; Y410-A414 PolarHBondContact O-N 3.13Å
411	N	75.1	Confident	81.3	Confident	62 Å²	62	31.6 Å²	31.6	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-65	-41.2	178.4	-69	-31.4	0	0	0	111.2	F324 M408 A413 A414 E415	F324-N411 HydrophobicContact CE2-CB 3.66Å; F324-N411 HydrophobicContact CZ-CB 4.43Å; M408-N411 PolarHBondContact O-N 3.44Å; N411-A413 PolarHBondContact O-N 3.25Å; N411-A414 PolarHBondContact O-N 2.97Å; N411-E415 WeakPolarHBondContact O-CG 3.42Å; N411-E415 PolarHBondContact O-N 2.74Å
412	Y	80.3	Confident	80.2	Confident	24 Å²	24	35 Å²	35	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-43.9	178.3	-170.1	-99.5	0	0	0	112.5	R329 R330 M408 E415 M416	R329-Y412 HydrophobicContact CB-CD2 3.86Å; R329-Y412 HydrophobicContact CB-CE2 4.01Å; R330-Y412 HydrophobicContact CG-CE2 3.95Å; R330-Y412 WeakPolarHBondContact CG-OH 3.44Å; R330-Y412 PolarHBondContact NE-OH 3.01Å; M408-Y412 WeakPolarHBondContact O-CB 3.1Å; M408-Y412 PolarHBondContact O-N 2.85Å; Y412-E415 PolarHBondContact O-N 3.22Å; Y412-M416 HydrophobicContact CD1-CG 3.9Å; Y412-M416 HydrophobicContact CD2-CE 4.32Å; Y412-M416 HydrophobicContact CD2-CG 4.39Å; Y412-M416 HydrophobicContact CE1-CG 3.51Å; Y412-M416 HydrophobicContact CE1-SD 4.38Å; Y412-M416 HydrophobicContact CE2-CE 3.52Å; Y412-M416 HydrophobicContact CE2-CG 4.06Å; Y412-M416 HydrophobicContact CE2-SD 4.39Å; Y412-M416 HydrophobicContact CG-CG 4.33Å; Y412-M416 WeakPolarHBondContact O-CB 3.34Å; Y412-M416 WeakPolarHBondContact O-CG 3.31Å; Y412-M416 PolarHBondContact O-N 3.37Å
413	A	79.1	Confident	78.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-39.6	178.1	0	0	0	0	0	112.3	T277 W281 A409 Y410 N411 E415 L417	T277-A413 HydrophobicContact CG2-CB 3.89Å; W281-A413 HydrophobicContact CZ2-CB 3.54Å; A409-A413 PolarHBondContact O-N 3.24Å; Y410-A413 PolarHBondContact O-N 3.18Å; N411-A413 PolarHBondContact O-N 3.25Å; A413-E415 PolarHBondContact O-N 2.97Å; A413-L417 WeakPolarHBondContact O-CG 3.38Å; A413-L417 PolarHBondContact O-N 3.48Å
414	A	72	Confident	77.9	Confident	38 Å²	38	44.4 Å²	44.4	31%	0.314	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-22.6	178.6	0	0	0	0	0	113	Y410 N411 R422	Y410-A414 PolarHBondContact O-N 3.13Å; N411-A414 PolarHBondContact O-N 2.97Å; A414-R422 WeakPolarHBondContact O-CD 3.36Å; A414-R422 PolarHBondContact O-NE 3.1Å; A414-R422 PolarHBondContact O-NH1 2.73Å; A414-R422 PolarHBondContact O-NH2 3.1Å
415	E	75.9	Confident	77.3	Confident	78 Å²	78	44.4 Å²	44.4	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-104.4	-30.9	-175.6	-62.8	162.7	146.9	0	0	113.3	R329 N411 Y412 A413	R329-E415 WeakPolarHBondContact CD-OE2 3.27Å; R329-E415 IonicContact CZ-OE1 3.98Å; R329-E415 IonicContact CZ-OE2 3.41Å; R329-E415 IonicContact NE-OE1 2.71Å; R329-E415 PolarHBondContact NE-OE1 3.04Å; R329-E415 IonicContact NE-OE2 3.55Å; R329-E415 PolarHBondContact NE-OE2 3.43Å; R329-E415 VanDerWaalsContact NH1-CB 3.25Å; R329-E415 IonicContact NH1-OE1 2.69Å; R329-E415 PolarHBondContact NH1-OE1 3.18Å; R329-E415 IonicContact NH1-OE2 3.12Å; R329-E415 PolarHBondContact NH1-OE2 3.3Å; R329-E415 IonicContact NH2-OE1 3.54Å; R329-E415 PolarHBondContact NH2-OE1 3.42Å; R329-E415 IonicContact NH2-OE2 3.68Å; R329-E415 PolarHBondContact NH2-OE2 3.01Å; N411-E415 WeakPolarHBondContact O-CG 3.42Å; N411-E415 PolarHBondContact O-N 2.74Å; Y412-E415 PolarHBondContact O-N 3.22Å; A413-E415 PolarHBondContact O-N 2.97Å
416	M	79.3	Confident	76.6	Confident	52 Å²	52	46.2 Å²	46.2	26%	0.256	24%	0.242	S	C	.	.	H	α-helix	trans	-75.1	-27.8	178.7	-73.3	-69.7	148.4	0	0	112.8	T273 Y412	T273-M416 HydrophobicContact CG2-CB 4.38Å; T273-M416 HydrophobicContact CG2-SD 4.47Å; Y412-M416 HydrophobicContact CD1-CG 3.9Å; Y412-M416 HydrophobicContact CD2-CE 4.32Å; Y412-M416 HydrophobicContact CD2-CG 4.39Å; Y412-M416 HydrophobicContact CE1-CG 3.51Å; Y412-M416 HydrophobicContact CE1-SD 4.38Å; Y412-M416 HydrophobicContact CE2-CE 3.52Å; Y412-M416 HydrophobicContact CE2-CG 4.06Å; Y412-M416 HydrophobicContact CE2-SD 4.39Å; Y412-M416 HydrophobicContact CG-CG 4.33Å; Y412-M416 WeakPolarHBondContact O-CB 3.34Å; Y412-M416 WeakPolarHBondContact O-CG 3.31Å; Y412-M416 PolarHBondContact O-N 3.37Å
417	L	78.2	Confident	76.1	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	-87.2	131.2	-178	-64.1	170.8	0	0	0	111.2	L264 F274 A413 R422 T426	L264-L417 HydrophobicContact CD1-CD2 4.41Å; F274-L417 HydrophobicContact CD2-CD2 4.09Å; A413-L417 WeakPolarHBondContact O-CG 3.38Å; A413-L417 PolarHBondContact O-N 3.48Å; L417-R422 HydrophobicContact CB-CB 4.17Å; L417-R422 HydrophobicContact CB-CG 4.17Å; L417-R422 PolarHBondContact O-NE 2.93Å; L417-R422 VanDerWaalsContact O-NE 3.09Å; L417-R422 PolarHBondContact O-NH2 3.3Å; L417-T426 VanDerWaalsContact CD1-N 3.34Å
418	P	76	Confident	76	Confident	50 Å²	50	48.8 Å²	48.8	33%	0.325	26%	0.262	S	S	.	.			trans	-59.6	144.2	175.8	25.7	-32.9	0	0	0	109.7	L264 L270 E420 C421 R422	L264-P418 HydrophobicContact CD1-CG 4.4Å; L270-P418 HydrophobicContact CD1-CG 4.31Å; L270-P418 HydrophobicContact CD2-CG 4.17Å; P418-E420 PolarHBondContact O-N 2.9Å; P418-E420 VanDerWaalsContact O-N 3.13Å; P418-C421 HydrophobicContact CG-CB 4.3Å; P418-C421 CarbonylContact O-C 3.58Å; P418-C421 PolarHBondContact O-N 3.49Å; P418-R422 WeakPolarHBondContact O-CA 3.22Å; P418-R422 WeakPolarHBondContact O-CB 3.27Å; P418-R422 PolarHBondContact O-N 3.31Å
419	T	74.4	Confident	76.1	Confident	102 Å²	102	48.8 Å²	48.8	63%	0.626	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-39.6	-172.4	42.6	0	0	0	0	113	C421 R422	T419-C421 PolarHBondContact O-N 3.47Å; T419-R422 PolarHBondContact O-N 3.06Å
420	E	68.5	Low	76.1	Confident	152 Å²	152	49.6 Å²	49.6	71%	0.71	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-39.6	-179.7	-60.6	170.4	-178.1	0	0	113.2	A259 P418	A259-E420 HydrophobicContact CB-CB 4.07Å; P418-E420 PolarHBondContact O-N 2.9Å; P418-E420 VanDerWaalsContact O-N 3.13Å
421	C	68.4	Low	76.6	Confident	8 Å²	8	50.2 Å²	50.2	5%	0.054	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-0.5	-177.2	-58.8	0	0	0	0	113	A259 L264 P418 T419 H423 A424 G425	A259-C421 WeakPolarHBondContact CB-SG 3.27Å; L264-C421 HydrophobicContact CD1-CB 3.52Å; P418-C421 HydrophobicContact CG-CB 4.3Å; P418-C421 CarbonylContact O-C 3.58Å; P418-C421 PolarHBondContact O-N 3.49Å; T419-C421 PolarHBondContact O-N 3.47Å; C421-H423 PolarHBondContact O-N 2.96Å; C421-A424 PolarHBondContact O-N 2.99Å; C421-G425 PolarHBondContact O-N 3.3Å
422	R	70.8	Confident	77.3	Confident	82 Å²	82	48.5 Å²	48.5	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-42.4	-168.9	-176.7	179.1	-61.9	179.9	-7	113	A414 L417 P418 T419 T426	A414-R422 WeakPolarHBondContact O-CD 3.36Å; A414-R422 PolarHBondContact O-NE 3.1Å; A414-R422 PolarHBondContact O-NH1 2.73Å; A414-R422 PolarHBondContact O-NH2 3.1Å; L417-R422 HydrophobicContact CB-CB 4.17Å; L417-R422 HydrophobicContact CB-CG 4.17Å; L417-R422 PolarHBondContact O-NE 2.93Å; L417-R422 VanDerWaalsContact O-NE 3.09Å; L417-R422 PolarHBondContact O-NH2 3.3Å; P418-R422 WeakPolarHBondContact O-CA 3.22Å; P418-R422 WeakPolarHBondContact O-CB 3.27Å; P418-R422 PolarHBondContact O-N 3.31Å; T419-R422 PolarHBondContact O-N 3.06Å; R422-T426 WeakPolarHBondContact O-CB 3.33Å; R422-T426 PolarHBondContact O-N 3.14Å; R422-T426 PolarHBondContact O-OG1 2.88Å
423	H	65.8	Low	77.9	Confident	167 Å²	167	47.3 Å²	47.3	77%	0.773	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-46.8	178.8	-77	-72.9	0	0	0	111.4	C421 G427	C421-H423 PolarHBondContact O-N 2.96Å; H423-G427 PolarHBondContact O-N 3.26Å
424	A	71.3	Confident	78.5	Confident	39 Å²	39	48.2 Å²	48.2	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-46.7	178.8	0	0	0	0	0	111.9	L261 C421 G427 I428	L261-A424 HydrophobicContact CD1-CB 4.17Å; L261-A424 HydrophobicContact CD2-CB 4.02Å; L261-A424 HydrophobicContact CG-CB 3.91Å; C421-A424 PolarHBondContact O-N 2.99Å; A424-G427 PolarHBondContact O-N 3.42Å; A424-I428 PolarHBondContact O-N 3.44Å
425	G	76.3	Confident	79.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-46.4	179	0	0	0	0	0	112.6	C421 G427 I428 C429	C421-G425 PolarHBondContact O-N 3.3Å; G425-G427 VanDerWaalsContact C-N 3.25Å; G425-G427 PolarHBondContact O-N 2.91Å; G425-I428 PolarHBondContact O-N 3.4Å; G425-C429 PolarHBondContact O-N 3.27Å; G425-C429 PolarHBondContact O-SG 2.95Å
426	T	78.4	Confident	80.4	Confident	37 Å²	37	47 Å²	47	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-36.1	175	-53.7	0	0	0	0	111.1	W281 L417 R422 C429 S430	W281-T426 HydrophobicContact CH2-CG2 3.96Å; W281-T426 HydrophobicContact CZ2-CG2 4.4Å; L417-T426 VanDerWaalsContact CD1-N 3.34Å; R422-T426 WeakPolarHBondContact O-CB 3.33Å; R422-T426 PolarHBondContact O-N 3.14Å; R422-T426 PolarHBondContact O-OG1 2.88Å; T426-C429 PolarHBondContact O-N 2.9Å; T426-S430 WeakPolarHBondContact O-CB 3.47Å; T426-S430 PolarHBondContact O-N 3Å
427	G	78.3	Confident	81.1	Confident	34 Å²	34	44.5 Å²	44.5	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-58.1	-48	173.7	0	0	0	0	0	112.7	H423 A424 G425 S430 M431	H423-G427 PolarHBondContact O-N 3.26Å; A424-G427 PolarHBondContact O-N 3.42Å; G425-G427 VanDerWaalsContact C-N 3.25Å; G425-G427 PolarHBondContact O-N 2.91Å; G427-S430 WeakPolarHBondContact O-CB 3.44Å; G427-S430 PolarHBondContact O-N 3.07Å; G427-M431 WeakPolarHBondContact O-CG 3.36Å; G427-M431 PolarHBondContact O-N 2.93Å
428	I	82.7	Confident	81.8	Confident	49 Å²	49	46.1 Å²	46.1	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-42.3	176.4	-62.4	-179	0	0	0	111.7	L261 F274 A424 G425 S430 M431 C432	L261-I428 HydrophobicContact CD1-CD1 3.66Å; L261-I428 HydrophobicContact CD1-CG1 4.4Å; L261-I428 HydrophobicContact CD2-CD1 3.29Å; L261-I428 HydrophobicContact CD2-CG1 4.26Å; L261-I428 HydrophobicContact CG-CD1 4.03Å; F274-I428 HydrophobicContact CE2-CB 4.18Å; F274-I428 HydrophobicContact CE2-CG2 4.43Å; F274-I428 HydrophobicContact CZ-CB 3.75Å; F274-I428 HydrophobicContact CZ-CD1 3.93Å; F274-I428 HydrophobicContact CZ-CG1 4.43Å; F274-I428 HydrophobicContact CZ-CG2 3.66Å; A424-I428 PolarHBondContact O-N 3.44Å; G425-I428 PolarHBondContact O-N 3.4Å; I428-S430 PolarHBondContact O-N 3.32Å; I428-M431 HydrophobicContact CG1-SD 4.49Å; I428-M431 WeakPolarHBondContact O-CA 3.49Å; I428-M431 WeakPolarHBondContact O-CB 3.49Å; I428-M431 PolarHBondContact O-N 3.29Å; I428-C432 PolarHBondContact O-N 3.34Å; I428-C432 PolarHBondContact O-SG 3.27Å; I428-C432 VanDerWaalsContact O-SG 3.42Å
429	C	86	Confident	82.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.6	-40.5	174.9	-67.9	0	0	0	0	110.9	W281 G425 T426 C432 S433	W281-C429 HydrophobicContact CB-CB 4.44Å; W281-C429 WeakPolarHBondContact CB-O 3.2Å; W281-C429 HydrophobicContact CD2-CB 3.67Å; W281-C429 HydrophobicContact CE3-CB 3.91Å; W281-C429 HydrophobicContact CG-CB 3.93Å; W281-C429 HydrophobicContact CZ2-CB 4.39Å; W281-C429 HydrophobicContact CZ3-CB 4.38Å; G425-C429 PolarHBondContact O-N 3.27Å; G425-C429 PolarHBondContact O-SG 2.95Å; T426-C429 PolarHBondContact O-N 2.9Å; C429-C432 PolarHBondContact O-N 3.45Å; C429-S433 PolarHBondContact O-N 3.34Å
430	S	84.3	Confident	83.3	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-45.5	173.5	-170.6	0	0	0	0	112	W281 T426 G427 I428 C432 S433 R434	W281-S430 VanDerWaalsContact CZ3-CA 3.46Å; T426-S430 WeakPolarHBondContact O-CB 3.47Å; T426-S430 PolarHBondContact O-N 3Å; G427-S430 WeakPolarHBondContact O-CB 3.44Å; G427-S430 PolarHBondContact O-N 3.07Å; I428-S430 PolarHBondContact O-N 3.32Å; S430-C432 PolarHBondContact O-N 3.1Å; S430-S433 WeakPolarHBondContact O-CB 3.36Å; S430-S433 PolarHBondContact O-N 2.86Å; S430-R434 WeakPolarHBondContact O-CG 3.21Å; S430-R434 PolarHBondContact O-N 2.98Å
431	M	87	Confident	84.2	Confident	61 Å²	61	33.5 Å²	33.5	30%	0.3	19%	0.187	S	C	.	.	H	α-helix	trans	-57.8	-46.2	173.3	-66.2	170.2	154.3	0	0	112.3	L80 L84 G427 I428 S433 R434 L435	L80-M431 HydrophobicContact CD1-CB 4.17Å; L80-M431 HydrophobicContact CD1-CG 4.09Å; L84-M431 HydrophobicContact CD1-CE 3.98Å; L84-M431 HydrophobicContact CD2-CE 3.06Å; L84-M431 HydrophobicContact CG-CE 3.76Å; G427-M431 WeakPolarHBondContact O-CG 3.36Å; G427-M431 PolarHBondContact O-N 2.93Å; I428-M431 HydrophobicContact CG1-SD 4.49Å; I428-M431 WeakPolarHBondContact O-CA 3.49Å; I428-M431 WeakPolarHBondContact O-CB 3.49Å; I428-M431 PolarHBondContact O-N 3.29Å; M431-S433 VanDerWaalsContact C-N 3.31Å; M431-S433 PolarHBondContact O-N 2.97Å; M431-R434 WeakPolarHBondContact O-CB 3Å; M431-R434 PolarHBondContact O-N 2.92Å; M431-R434 VanDerWaalsContact O-N 3.07Å; M431-L435 WeakPolarHBondContact O-CG 3.31Å; M431-L435 PolarHBondContact O-N 3.35Å
432	C	90.6	Very high	85	Confident	26 Å²	26	36.1 Å²	36.1	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-39.7	177.2	-68	0	0	0	0	111.8	A278 L282 I428 C429 S430 L435 G436	A278-C432 HydrophobicContact CB-CB 4.35Å; L282-C432 WeakPolarHBondContact CA-O 3.15Å; L282-C432 HydrophobicContact CB-CB 4.28Å; L282-C432 WeakPolarHBondContact CB-O 3.46Å; I428-C432 PolarHBondContact O-N 3.34Å; I428-C432 PolarHBondContact O-SG 3.27Å; I428-C432 VanDerWaalsContact O-SG 3.42Å; C429-C432 PolarHBondContact O-N 3.45Å; S430-C432 PolarHBondContact O-N 3.1Å; C432-L435 PolarHBondContact O-N 2.93Å; C432-G436 PolarHBondContact O-N 3.21Å
433	S	92.1	Very high	85.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-45.6	170.3	151.4	0	0	0	0	111.8	A285 Y406 C429 S430 M431 L435 G436 A437	A285-S433 WeakPolarHBondContact CB-O 2.99Å; A285-S433 WeakPolarHBondContact CB-OG 3.45Å; Y406-S433 PolarHBondContact OH-OG 3.25Å; C429-S433 PolarHBondContact O-N 3.34Å; S430-S433 WeakPolarHBondContact O-CB 3.36Å; S430-S433 PolarHBondContact O-N 2.86Å; M431-S433 VanDerWaalsContact C-N 3.31Å; M431-S433 PolarHBondContact O-N 2.97Å; S433-L435 VanDerWaalsContact C-N 3.32Å; S433-L435 PolarHBondContact O-N 3.14Å; S433-G436 WeakPolarHBondContact O-CA 3.43Å; S433-G436 PolarHBondContact O-N 3.11Å; S433-G436 VanDerWaalsContact O-N 3.12Å; S433-A437 PolarHBondContact O-N 3.29Å
434	R	93.1	Very high	85.7	Confident	18 Å²	18	30.7 Å²	30.7	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-38.5	176.6	-59.2	-50.3	172.6	-168.4	-2.5	112.1	L80 Y289 S430 M431 G436 A437 I438	L80-R434 HydrophobicContact CB-CB 4.01Å; L80-R434 HydrophobicContact CB-CG 4.39Å; L80-R434 HydrophobicContact CD1-CB 4.02Å; L80-R434 HydrophobicContact CD1-CG 4.33Å; L80-R434 HydrophobicContact CG-CB 4.46Å; Y289-R434 PolarHBondContact OH-NH1 3.27Å; S430-R434 WeakPolarHBondContact O-CG 3.21Å; S430-R434 PolarHBondContact O-N 2.98Å; M431-R434 WeakPolarHBondContact O-CB 3Å; M431-R434 PolarHBondContact O-N 2.92Å; M431-R434 VanDerWaalsContact O-N 3.07Å; R434-G436 VanDerWaalsContact C-N 3.33Å; R434-G436 PolarHBondContact O-N 2.8Å; R434-A437 WeakPolarHBondContact O-CB 3.35Å; R434-A437 PolarHBondContact O-N 3.43Å; R434-I438 VanDerWaalsContact O-CG1 3.23Å; R434-I438 WeakPolarHBondContact O-CG1 3.31Å; R434-I438 PolarHBondContact O-N 2.77Å
435	L	93.4	Very high	85.8	Confident	90 Å²	90	30.5 Å²	30.5	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-42.2	172.9	-66.6	174.8	0	0	0	111.7	L80 M431 C432 S433 A437 I438 A439	L80-L435 HydrophobicContact CD2-CD2 4.13Å; M431-L435 WeakPolarHBondContact O-CG 3.31Å; M431-L435 PolarHBondContact O-N 3.35Å; C432-L435 PolarHBondContact O-N 2.93Å; S433-L435 VanDerWaalsContact C-N 3.32Å; S433-L435 PolarHBondContact O-N 3.14Å; L435-A437 VanDerWaalsContact C-N 3.34Å; L435-A437 PolarHBondContact O-N 3.02Å; L435-I438 HydrophobicContact CD2-CD1 4.45Å; L435-I438 PolarHBondContact O-N 2.87Å; L435-A439 WeakPolarHBondContact O-CB 3.46Å; L435-A439 PolarHBondContact O-N 3.48Å
436	G	93.3	Very high	85.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-42.5	172.8	0	0	0	0	0	112.7	M286 C432 S433 R434 A439 A440	M286-G436 WeakPolarHBondContact CA-O 3.43Å; C432-G436 PolarHBondContact O-N 3.21Å; S433-G436 WeakPolarHBondContact O-CA 3.43Å; S433-G436 PolarHBondContact O-N 3.11Å; S433-G436 VanDerWaalsContact O-N 3.12Å; R434-G436 VanDerWaalsContact C-N 3.33Å; R434-G436 PolarHBondContact O-N 2.8Å; G436-A439 PolarHBondContact O-N 3.3Å; G436-A440 PolarHBondContact O-N 2.88Å
437	A	93.5	Very high	85.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-39.3	176.2	0	0	0	0	0	113	M76 Y289 S433 R434 L435 A439 A440 P441	M76-A437 HydrophobicContact CB-CB 4.49Å; M76-A437 HydrophobicContact CE-CB 4.13Å; M76-A437 HydrophobicContact CG-CB 3.92Å; M76-A437 HydrophobicContact SD-CB 3.62Å; Y289-A437 HydrophobicContact CD2-CB 3.28Å; Y289-A437 HydrophobicContact CE2-CB 3.62Å; Y289-A437 HydrophobicContact CG-CB 4.03Å; S433-A437 PolarHBondContact O-N 3.29Å; R434-A437 WeakPolarHBondContact O-CB 3.35Å; R434-A437 PolarHBondContact O-N 3.43Å; L435-A437 VanDerWaalsContact C-N 3.34Å; L435-A437 PolarHBondContact O-N 3.02Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A437-A440 PolarHBondContact O-N 3.1Å; A437-P441 VanDerWaalsContact O-CD 3.31Å; A437-P441 WeakPolarHBondContact O-CD 3.09Å
438	I	93.7	Very high	85	Confident	36 Å²	36	37.1 Å²	37.1	19%	0.185	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-38.8	174.8	-68.1	163.8	0	0	0	110.6	S73 M76 F77 L80 R434 L435 P441	S73-I438 PolarHBondContact OG-O 2.94Å; M76-I438 HydrophobicContact CB-CB 4.49Å; M76-I438 HydrophobicContact CB-CG1 3.53Å; F77-I438 HydrophobicContact CB-CD1 4.16Å; F77-I438 HydrophobicContact CD2-CD1 4.21Å; L80-I438 HydrophobicContact CB-CD1 4.49Å; L80-I438 HydrophobicContact CD2-CD1 4.04Å; R434-I438 VanDerWaalsContact O-CG1 3.23Å; R434-I438 WeakPolarHBondContact O-CG1 3.31Å; R434-I438 PolarHBondContact O-N 2.77Å; L435-I438 HydrophobicContact CD2-CD1 4.45Å; L435-I438 PolarHBondContact O-N 2.87Å; I438-P441 WeakPolarHBondContact O-CD 3.16Å
439	A	91.7	Very high	84.2	Confident	38 Å²	38	41.8 Å²	41.8	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-76.5	-24.3	179.6	0	0	0	0	0	113.6	M286 L435 G436 A437 Q442	M286-A439 HydrophobicContact CE-CB 4.35Å; L435-A439 WeakPolarHBondContact O-CB 3.46Å; L435-A439 PolarHBondContact O-N 3.48Å; G436-A439 PolarHBondContact O-N 3.3Å; A437-A439 VanDerWaalsContact C-N 3.31Å; A439-Q442 WeakPolarHBondContact O-CB 3.25Å; A439-Q442 PolarHBondContact O-N 2.97Å
440	A	91.1	Very high	83.1	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-45.6	-173.6	0	0	0	0	0	114.5	M286 G436 A437 Q442 I443	M286-A440 HydrophobicContact CG-CB 4.23Å; M286-A440 WeakPolarHBondContact O-CB 3.24Å; G436-A440 PolarHBondContact O-N 2.88Å; A437-A440 PolarHBondContact O-N 3.1Å; A440-Q442 PolarHBondContact O-N 3.39Å; A440-I443 WeakPolarHBondContact O-CG1 3.36Å; A440-I443 PolarHBondContact O-N 3.29Å
441	P	86.2	Confident	82.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.4	176.9	-23.2	35.8	0	0	0	112.9	D69 K72 W293 Y294 A437 I438 I443 N444	D69-P441 HydrophobicContact CB-CB 3.78Å; K72-P441 HydrophobicContact CB-CB 4.36Å; K72-P441 HydrophobicContact CB-CG 3.77Å; K72-P441 HydrophobicContact CD-CB 4.48Å; K72-P441 HydrophobicContact CD-CG 4.36Å; W293-P441 HydrophobicContact CE3-CG 3.62Å; W293-P441 HydrophobicContact CH2-CG 4.22Å; W293-P441 HydrophobicContact CZ3-CG 3.24Å; Y294-P441 WeakPolarHBondContact OH-CA 3.33Å; Y294-P441 PolarHBondContact OH-O 2.62Å; A437-P441 VanDerWaalsContact O-CD 3.31Å; A437-P441 WeakPolarHBondContact O-CD 3.09Å; I438-P441 WeakPolarHBondContact O-CD 3.16Å; P441-I443 PolarHBondContact O-N 2.89Å; P441-N444 PolarHBondContact O-N 3.35Å
442	Q	84.6	Confident	80.8	Confident	64 Å²	64	48 Å²	48	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-72.2	-16.1	-173.9	-51.5	-59.5	-47.3	0	0	112.6	S73 A439 A440 N444 L445 L446	S73-Q442 PolarHBondContact OG-NE2 2.73Å; A439-Q442 WeakPolarHBondContact O-CB 3.25Å; A439-Q442 PolarHBondContact O-N 2.97Å; A440-Q442 PolarHBondContact O-N 3.39Å; Q442-N444 VanDerWaalsContact C-N 3.26Å; Q442-N444 PolarHBondContact O-N 2.99Å; Q442-L445 WeakPolarHBondContact O-CB 3.27Å; Q442-L445 PolarHBondContact O-N 3.5Å; Q442-L445 VanDerWaalsContact O-N 3.12Å; Q442-L446 PolarHBondContact O-N 3.13Å
443	I	80.1	Confident	79.3	Confident	72 Å²	72	53.8 Å²	53.8	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-40.3	172.3	-57	172.3	0	0	0	110.8	M286 A440 P441 L445 L446 A447	M286-I443 HydrophobicContact CE-CD1 3.28Å; M286-I443 HydrophobicContact CE-CG1 3.34Å; M286-I443 HydrophobicContact CG-CD1 3.88Å; M286-I443 HydrophobicContact SD-CD1 4.31Å; A440-I443 WeakPolarHBondContact O-CG1 3.36Å; A440-I443 PolarHBondContact O-N 3.29Å; P441-I443 PolarHBondContact O-N 2.89Å; I443-L445 VanDerWaalsContact C-N 3.27Å; I443-L445 PolarHBondContact O-N 3.11Å; I443-L446 PolarHBondContact O-N 3.39Å; I443-A447 PolarHBondContact O-N 3.27Å
444	N	72.1	Confident	77.6	Confident	62 Å²	62	60.2 Å²	60.2	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-69.3	-29.3	178.4	-75.1	-8.3	0	0	0	112.1	Y294 P441 Q442 A447 S448	Y294-N444 VanDerWaalsContact CD1-ND2 3.31Å; Y294-N444 WeakPolarHBondContact CD1-ND2 3.24Å; Y294-N444 WeakPolarHBondContact CD2-ND2 3.5Å; Y294-N444 WeakPolarHBondContact CE1-ND2 3.34Å; Y294-N444 WeakPolarHBondContact CE2-ND2 3.34Å; Y294-N444 PolarHBondContact OH-ND2 2.89Å; P441-N444 PolarHBondContact O-N 3.35Å; Q442-N444 VanDerWaalsContact C-N 3.26Å; Q442-N444 PolarHBondContact O-N 2.99Å; N444-A447 PolarHBondContact O-N 2.75Å; N444-S448 PolarHBondContact O-N 3.11Å; N444-S448 PolarHBondContact O-OG 3.37Å; N444-S448 VanDerWaalsContact O-OG 3.06Å
445	L	74	Confident	75.9	Confident	35 Å²	35	61.1 Å²	61.1	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-69.2	-41.3	173.7	-76	165.6	0	0	0	111.9	W66 D69 Q442 I443 A447 S448 Y449	W66-L445 HydrophobicContact CB-CD1 3.99Å; W66-L445 HydrophobicContact CB-CD2 3.28Å; W66-L445 HydrophobicContact CB-CG 4.28Å; D69-L445 HydrophobicContact CB-CD1 3.92Å; D69-L445 HydrophobicContact CB-CG 4.44Å; Q442-L445 WeakPolarHBondContact O-CB 3.27Å; Q442-L445 PolarHBondContact O-N 3.5Å; Q442-L445 VanDerWaalsContact O-N 3.12Å; I443-L445 VanDerWaalsContact C-N 3.27Å; I443-L445 PolarHBondContact O-N 3.11Å; L445-A447 VanDerWaalsContact C-N 3.31Å; L445-A447 PolarHBondContact O-N 2.78Å; L445-S448 WeakPolarHBondContact CA-OG 3.27Å; L445-S448 PolarHBondContact O-N 3.04Å; L445-S448 PolarHBondContact O-OG 3.35Å; L445-Y449 VanDerWaalsContact O-CB 3.26Å; L445-Y449 WeakPolarHBondContact O-CB 3.49Å; L445-Y449 PolarHBondContact O-N 3.29Å
446	L	75.3	Confident	74	Confident	128 Å²	128	61.7 Å²	61.7	67%	0.67	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-39.8	172.7	-67.9	170	0	0	0	111.7	Q442 I443 G450	Q442-L446 PolarHBondContact O-N 3.13Å; I443-L446 PolarHBondContact O-N 3.39Å; L446-G450 PolarHBondContact O-N 3.3Å
447	A	71.3	Confident	72	Confident	53 Å²	53	66.6 Å²	66.6	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-48.4	177	0	0	0	0	0	112.2	I443 N444 L445 G450 L451	I443-A447 PolarHBondContact O-N 3.27Å; N444-A447 PolarHBondContact O-N 2.75Å; L445-A447 VanDerWaalsContact C-N 3.31Å; L445-A447 PolarHBondContact O-N 2.78Å; A447-G450 PolarHBondContact O-N 3.02Å; A447-L451 WeakPolarHBondContact O-CG 3.49Å; A447-L451 PolarHBondContact O-N 3.13Å
448	S	67.6	Low	70	Confident	30 Å²	30	72 Å²	72	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.6	57.7	0	0	0	0	112.3	N444 L445 L451 R452	N444-S448 PolarHBondContact O-N 3.11Å; N444-S448 PolarHBondContact O-OG 3.37Å; N444-S448 VanDerWaalsContact O-OG 3.06Å; L445-S448 WeakPolarHBondContact CA-OG 3.27Å; L445-S448 PolarHBondContact O-N 3.04Å; L445-S448 PolarHBondContact O-OG 3.35Å; S448-L451 PolarHBondContact O-N 2.84Å; S448-R452 WeakPolarHBondContact O-CB 3.3Å; S448-R452 VanDerWaalsContact O-CG 3.26Å; S448-R452 WeakPolarHBondContact O-CG 3.48Å; S448-R452 PolarHBondContact O-N 2.56Å
449	Y	67.2	Low	67.7	Low	146 Å²	146	72.9 Å²	72.9	57%	0.573	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-43.7	173.1	-176.5	-96.3	0	0	0	112.1	L445 L451 R452 R453	L445-Y449 VanDerWaalsContact O-CB 3.26Å; L445-Y449 WeakPolarHBondContact O-CB 3.49Å; L445-Y449 PolarHBondContact O-N 3.29Å; Y449-L451 VanDerWaalsContact C-N 3.34Å; Y449-L451 PolarHBondContact O-N 3.42Å; Y449-R452 PolarHBondContact O-N 3.31Å; Y449-R453 WeakPolarHBondContact O-CB 3.33Å; Y449-R453 PolarHBondContact O-N 3.03Å
450	G	63.7	Low	65.5	Low	34 Å²	34	76.3 Å²	76.3	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.5	0	0	0	0	0	113	L446 A447 K454	L446-G450 PolarHBondContact O-N 3.3Å; A447-G450 PolarHBondContact O-N 3.02Å; G450-K454 PolarHBondContact O-N 3.17Å
451	L	62	Low	63.1	Low	110 Å²	110	84.3 Å²	84.3	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-66.3	-45.6	173.7	-71.4	169.5	0	0	0	111.8	A447 S448 Y449 R453 K454 A455	A447-L451 WeakPolarHBondContact O-CG 3.49Å; A447-L451 PolarHBondContact O-N 3.13Å; S448-L451 PolarHBondContact O-N 2.84Å; Y449-L451 VanDerWaalsContact C-N 3.34Å; Y449-L451 PolarHBondContact O-N 3.42Å; L451-R453 VanDerWaalsContact C-N 3.28Å; L451-R453 PolarHBondContact O-N 3.2Å; L451-K454 PolarHBondContact O-N 3.13Å; L451-K454 VanDerWaalsContact O-N 3.17Å; L451-A455 PolarHBondContact O-N 3.49Å
452	R	59.8	Low	61.2	Low	66 Å²	66	91.4 Å²	91.4	25%	0.249	46%	0.463	C	S	.	.	H	α-helix	trans	-57	-42.4	175.4	-75.1	173.9	-176.9	-168	2.1	111.8	C62 S448 Y449 A455 Q456	C62-R452 PolarHBondContact O-NH2 2.94Å; S448-R452 WeakPolarHBondContact O-CB 3.3Å; S448-R452 VanDerWaalsContact O-CG 3.26Å; S448-R452 WeakPolarHBondContact O-CG 3.48Å; S448-R452 PolarHBondContact O-N 2.56Å; Y449-R452 PolarHBondContact O-N 3.31Å; R452-A455 PolarHBondContact O-N 3.33Å; R452-Q456 WeakPolarHBondContact O-CG 3.46Å; R452-Q456 PolarHBondContact O-N 2.04Å
453	R	59.5	Low	59	Low	147 Å²	147	98.3 Å²	98.3	56%	0.555	49%	0.492	S	S	*	.	H	α-helix	trans	-68.6	-38	178.2	-160.2	-179.4	-178.5	-168.2	1	112.1	Y449 L451 Q456 M457	Y449-R453 WeakPolarHBondContact O-CB 3.33Å; Y449-R453 PolarHBondContact O-N 3.03Å; L451-R453 VanDerWaalsContact C-N 3.28Å; L451-R453 PolarHBondContact O-N 3.2Å; R453-Q456 PolarHBondContact O-N 2.77Å; R453-M457 HydrophobicContact CG-CE 4.24Å; R453-M457 WeakPolarHBondContact O-CG 3.19Å; R453-M457 PolarHBondContact O-N 3.33Å
454	K	57.1	Low	57.9	Low	134 Å²	134	99.7 Å²	99.7	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-41.6	173.1	-81.8	-173.9	177.2	-175.5	0	112.4	G450 L451 M457 M458	G450-K454 PolarHBondContact O-N 3.17Å; L451-K454 PolarHBondContact O-N 3.13Å; L451-K454 VanDerWaalsContact O-N 3.17Å; K454-M457 HydrophobicContact CG-CE 4.33Å; K454-M457 PolarHBondContact O-N 3.35Å; K454-M458 PolarHBondContact O-N 3.24Å
455	A	56.6	Low	57.2	Low	38 Å²	38	101.6 Å²	101.6	31%	0.314	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-47.3	175.4	0	0	0	0	0	111.4	L451 R452 M457 M458 E459	L451-A455 PolarHBondContact O-N 3.49Å; R452-A455 PolarHBondContact O-N 3.33Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.82Å; A455-M458 PolarHBondContact O-N 2.92Å; A455-E459 PolarHBondContact O-N 3.1Å
456	Q	54.4	Low	56.2	Low	102 Å²	102	105.3 Å²	105.3	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-37.3	175.6	-73.5	178.4	-39.9	0	0	113.2	R452 R453 E459 V460	R452-Q456 WeakPolarHBondContact O-CG 3.46Å; R452-Q456 PolarHBondContact O-N 2.04Å; R453-Q456 PolarHBondContact O-N 2.77Å; Q456-E459 WeakPolarHBondContact O-CB 3.37Å; Q456-E459 PolarHBondContact O-N 3.47Å; Q456-V460 WeakPolarHBondContact O-CG2 3.5Å; Q456-V460 PolarHBondContact O-N 3.03Å
457	M	50.9	Low	55.1	Low	102 Å²	102	104 Å²	104	50%	0.502	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-33.7	176.3	-74.4	-174.4	-68	0	0	112.6	R453 K454 A455 V460 Q461	R453-M457 HydrophobicContact CG-CE 4.24Å; R453-M457 WeakPolarHBondContact O-CG 3.19Å; R453-M457 PolarHBondContact O-N 3.33Å; K454-M457 HydrophobicContact CG-CE 4.33Å; K454-M457 PolarHBondContact O-N 3.35Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.82Å; M457-V460 PolarHBondContact O-N 3.09Å; M457-Q461 PolarHBondContact O-N 3.1Å
458	M	51	Low	54.1	Low	115 Å²	115	107.2 Å²	107.2	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-68.1	-36.5	172.3	-81	-176.4	-77.3	0	0	111.8	K454 A455 V460 Q461 I462	K454-M458 PolarHBondContact O-N 3.24Å; A455-M458 PolarHBondContact O-N 2.92Å; M458-V460 PolarHBondContact O-N 3.1Å; M458-Q461 PolarHBondContact O-N 2.84Å; M458-I462 WeakPolarHBondContact O-CG1 3.06Å; M458-I462 PolarHBondContact O-N 3Å
459	E	44.6	Very low	53.2	Low	53 Å²	53	112.3 Å²	112.3	25%	0.248	54%	0.542	C	S	.	.	H	α-helix	trans	-58	-46.8	172.2	-74.6	165.2	-156.8	0	0	111.4	L34 A455 Q456 Q461 I462 F463	L34-E459 HydrophobicContact CD1-CG 3.95Å; L34-E459 VanDerWaalsContact CD2-OE1 3.23Å; L34-E459 WeakPolarHBondContact CD2-OE1 3Å; A455-E459 PolarHBondContact O-N 3.1Å; Q456-E459 WeakPolarHBondContact O-CB 3.37Å; Q456-E459 PolarHBondContact O-N 3.47Å; E459-Q461 PolarHBondContact O-N 2.83Å; E459-I462 PolarHBondContact O-N 3.08Å; E459-I462 VanDerWaalsContact O-N 3.15Å; E459-F463 VanDerWaalsContact O-CD2 3.25Å; E459-F463 WeakPolarHBondContact O-CD2 3.5Å; E459-F463 PolarHBondContact O-N 3.4Å
460	V	47.3	Very low	52.2	Low	111 Å²	111	109.9 Å²	109.9	67%	0.673	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-22.5	-179.8	177.1	0	0	0	0	113	Q456 M457 M458	Q456-V460 WeakPolarHBondContact O-CG2 3.5Å; Q456-V460 PolarHBondContact O-N 3.03Å; M457-V460 PolarHBondContact O-N 3.09Å; M458-V460 PolarHBondContact O-N 3.1Å
461	Q	40.2	Very low	51.3	Low	169 Å²	169	115.8 Å²	115.8	79%	0.79	56%	0.555	S	S	*	*	H	α-helix	trans	-86.5	-13.8	176.5	-73.1	-164	-42.3	0	0	114	M457 M458 E459	M457-Q461 PolarHBondContact O-N 3.1Å; M458-Q461 PolarHBondContact O-N 2.84Å; E459-Q461 PolarHBondContact O-N 2.83Å
462	I	46.1	Very low	50.4	Low	149 Å²	149	116.3 Å²	116.3	76%	0.764	55%	0.553	S	S	*	*	H	α-helix	trans	-93.8	-22.5	-179.9	-64.7	168.8	0	0	0	111.3	M458 E459	M458-I462 WeakPolarHBondContact O-CG1 3.06Å; M458-I462 PolarHBondContact O-N 3Å; E459-I462 PolarHBondContact O-N 3.08Å; E459-I462 VanDerWaalsContact O-N 3.15Å
463	F	37.8	Very low	49.6	Very low	209 Å²	209	120.8 Å²	120.8	92%	0.917	58%	0.581	S	S	*	*			trans	-81.6	0	165.5	-69.6	-74.5	0	0	0	111.1	E459	E459-F463 VanDerWaalsContact O-CD2 3.25Å; E459-F463 WeakPolarHBondContact O-CD2 3.5Å; E459-F463 PolarHBondContact O-N 3.4Å

Retrieved 463 of 463 residues in 297 ms (Link to these results)

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