A0A077ZH94_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZH94, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 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	31.5	Very low	25	Very low	236 Å²	236	179.8 Å²	179.8	100%	1.163	85%	0.853	S	S	*	*				0	120.2	0	-76.1	174.9	172.7	0	0	108
2	N	28.1	Very low	25.1	Very low	149 Å²	149	180.2 Å²	180.2	80%	0.797	86%	0.862	S	S	*	*			trans	-177.9	108.2	135.3	-98	-9.4	0	0	0	109
3	W	19.7	Very low	25.4	Very low	249 Å²	249	171.4 Å²	171.4	94%	0.943	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75	120.2	161.2	-76.4	75.8	0	0	0	107.3
4	H	27.5	Very low	25.6	Very low	180 Å²	180	167.7 Å²	167.7	83%	0.833	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-97.1	117.6	156	-89.1	-61.1	0	0	0	108.9
5	R	21.8	Very low	25.6	Very low	222 Å²	222	172.3 Å²	172.3	84%	0.838	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-95.9	159.9	170.8	-174.3	-167.9	-107.2	-172.7	-5.7	107.8
6	V	22.8	Very low	25.5	Very low	122 Å²	122	170.6 Å²	170.6	74%	0.739	83%	0.826	S	S	*	*			trans	87.8	114	165.3	-160.5	0	0	0	0	111
7	E	25.2	Very low	25.5	Very low	184 Å²	184	166.2 Å²	166.2	86%	0.86	82%	0.817	S	S	*	*				-139.4	127.1	62.4	-73.7	170.7	164.6	0	0	114.3
8	E	21.7	Very low	25.4	Very low	180 Å²	180	167.7 Å²	167.7	84%	0.841	82%	0.819	S	S	*	*			trans	-75.6	133.2	155.5	-79.1	178.5	139	0	0	109.5	V10	E8-V10 PolarHBondContact O-N 3.42Å
9	P	26.3	Very low	25.3	Very low	128 Å²	128	171.7 Å²	171.7	83%	0.831	82%	0.824	S	S	*	*			trans	-78.1	113.1	153.7	3.1	14.4	0	0	0	108.8
10	V	27.5	Very low	25.1	Very low	132 Å²	132	171 Å²	171	80%	0.8	82%	0.819	S	S	*	*			trans	-24	131.7	166.5	178.6	0	0	0	0	115.1	E8 L12	E8-V10 PolarHBondContact O-N 3.42Å; V10-L12 PolarHBondContact O-N 3.33Å
11	R	23	Very low	25.3	Very low	196 Å²	196	170.3 Å²	170.3	74%	0.74	82%	0.815	S	S	*	*			trans	-44.7	120.6	168	-74.9	177.3	177.9	166.8	-0.7	112.9	S13	R11-S13 PolarHBondContact O-N 3.33Å
12	L	26.2	Very low	25.2	Very low	184 Å²	184	166.9 Å²	166.9	96%	0.963	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	34.8	159.2	-103	154.4	0	0	0	111.7	V10	V10-L12 PolarHBondContact O-N 3.33Å
13	S	29.6	Very low	24.9	Very low	66 Å²	66	162.9 Å²	162.9	46%	0.462	80%	0.796	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	-10.3	168.6	63.5	0	0	0	0	113.9	R11 R15	R11-S13 PolarHBondContact O-N 3.33Å; S13-R15 PolarHBondContact O-N 3.42Å
14	D	27.8	Very low	24.9	Very low	120 Å²	120	158.7 Å²	158.7	64%	0.642	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	23.8	-165.3	-65.2	-3.2	0	0	0	114.2
15	R	25.7	Very low	24.7	Very low	237 Å²	237	159.8 Å²	159.8	89%	0.894	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	50.5	160.4	-72.3	-169.2	-176.7	-177	2.4	112.2	S13 S17	S13-R15 PolarHBondContact O-N 3.42Å; R15-S17 PolarHBondContact O-N 3.41Å
16	V	24.5	Very low	24.6	Very low	144 Å²	144	154.4 Å²	154.4	87%	0.873	78%	0.784	S	S	*	*			trans	-82.9	82.4	140.6	-178.2	0	0	0	0	105.9
17	S	23.9	Very low	24.6	Very low	96 Å²	96	152.1 Å²	152.1	67%	0.671	77%	0.774	S	S	*	*			trans	-128.3	101.1	172.6	-160.7	0	0	0	0	109.8	R15 R19	R15-S17 PolarHBondContact O-N 3.41Å; S17-R19 PolarHBondContact O-N 3.48Å
18	K	25.1	Very low	24.4	Very low	194 Å²	194	150.2 Å²	150.2	84%	0.843	77%	0.77	S	S	*	*			trans	28.4	89.8	140.5	-71.1	-180	172.8	180	0	116.1
19	R	22.4	Very low	24.5	Very low	244 Å²	244	149.7 Å²	149.7	92%	0.921	77%	0.767	S	S	*	*			trans	-144.7	90.5	134.3	-68.5	-167.9	-163.8	-164.1	2.9	104.8	S17	S17-R19 PolarHBondContact O-N 3.48Å
20	H	22.6	Very low	24.3	Very low	156 Å²	156	147.8 Å²	147.8	72%	0.722	76%	0.762	S	S	*	*				19.1	119	98.9	-90.1	-70.4	0	0	0	113.6
21	E	29.6	Very low	24	Very low	158 Å²	158	150.5 Å²	150.5	74%	0.738	76%	0.763	S	S	*	*	S	Bend	trans	29.8	127.6	134.3	-68.9	158.5	156	0	0	116.2
22	D	27.3	Very low	23.9	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	76%	0.761	S	S	*	*			trans	89.3	72.9	174	-47.6	-28.7	0	0	0	115.5
23	G	21.9	Very low	23.7	Very low	66 Å²	66	141.6 Å²	141.6	68%	0.68	75%	0.745	S	S	*	*			trans	-132.6	71.9	167.6	0	0	0	0	0	110.5	F25	G23-F25 PolarHBondContact O-N 3.05Å; G23-F25 VanDerWaalsContact O-N 3.11Å
24	I	20.8	Very low	23.3	Very low	161 Å²	161	149.6 Å²	149.6	83%	0.826	77%	0.765	S	S	*	*			trans	-35.7	109.6	168.3	-61.8	162.3	0	0	0	110.5
25	F	22.8	Very low	23.1	Very low	202 Å²	202	153.7 Å²	153.7	89%	0.886	77%	0.773	S	S	*	*			trans	-110.4	88.7	159	-97.4	-85.8	0	0	0	108.5	G23	G23-F25 PolarHBondContact O-N 3.05Å; G23-F25 VanDerWaalsContact O-N 3.11Å
26	V	20.7	Very low	23	Very low	109 Å²	109	149.5 Å²	149.5	66%	0.661	77%	0.768	S	S	*	*			trans	39.7	105.9	146.5	-165.7	0	0	0	0	115.6	N28	V26-N28 PolarHBondContact O-N 2.88Å
27	S	21.2	Very low	23.3	Very low	75 Å²	75	150.3 Å²	150.3	52%	0.524	77%	0.768	S	S	.	*			trans	-38.8	121.8	166	57.2	0	0	0	0	112.6	E29	S27-E29 PolarHBondContact O-N 2.88Å
28	N	22.4	Very low	23.5	Very low	144 Å²	144	151.1 Å²	151.1	77%	0.77	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-63.6	0.6	163.5	-97.2	-26	0	0	0	113.3	V26 A30 F31	V26-N28 PolarHBondContact O-N 2.88Å; N28-A30 PolarHBondContact O-N 3.35Å; N28-F31 PolarHBondContact O-N 3.37Å
29	E	23.3	Very low	23.5	Very low	168 Å²	168	150 Å²	150	79%	0.785	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-66.3	-17.6	177	-67.9	-172.2	157.2	0	0	113.5	S27	S27-E29 PolarHBondContact O-N 2.88Å
30	A	21.8	Very low	23.6	Very low	88 Å²	88	147.6 Å²	147.6	73%	0.727	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-84.3	-13.5	178.3	0	0	0	0	0	114.7	N28	N28-A30 PolarHBondContact O-N 3.35Å
31	F	21.4	Very low	23.8	Very low	189 Å²	189	144.1 Å²	144.1	83%	0.829	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-9.2	-178.4	-139.8	-93.1	0	0	0	114.7	N28	N28-F31 PolarHBondContact O-N 3.37Å
32	L	21.7	Very low	23.4	Very low	133 Å²	133	143.3 Å²	143.3	70%	0.696	76%	0.76	S	S	*	*			trans	-126	32.4	174.6	-68	173.2	0	0	0	112.3	R34	L32-R34 PolarHBondContact O-N 3.17Å; L32-R34 VanDerWaalsContact O-N 3.1Å
33	G	21.2	Very low	23.2	Very low	60 Å²	60	145 Å²	145	62%	0.619	76%	0.76	S	S	*	*			trans	-55.4	116	162.1	0	0	0	0	0	109.8
34	R	21.4	Very low	23.2	Very low	234 Å²	234	148.2 Å²	148.2	88%	0.883	77%	0.77	S	S	*	*			trans	84.4	64.3	178.5	-47.2	-175.3	-149.5	-171.3	5.2	116.1	L32	L32-R34 PolarHBondContact O-N 3.17Å; L32-R34 VanDerWaalsContact O-N 3.1Å
35	Y	23.8	Very low	23.3	Very low	206 Å²	206	144.5 Å²	144.5	81%	0.808	76%	0.755	S	S	*	*			trans	-117.6	119.3	136.5	-93.7	-89.4	0	0	0	107.3
36	N	22.7	Very low	23.4	Very low	150 Å²	150	141.8 Å²	141.8	80%	0.802	75%	0.75	S	S	*	*			trans	-67.4	131.1	-170.4	-79.8	-19.1	0	0	0	112.7	T38	N36-T38 PolarHBondContact O-N 3.11Å; N36-T38 VanDerWaalsContact O-N 3.1Å
37	D	31.5	Very low	23.5	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	58.1	179.7	-71.4	-41.5	0	0	0	115
38	T	28.7	Very low	23.5	Very low	113 Å²	113	153 Å²	153	69%	0.693	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	-7.7	168.8	39	0	0	0	0	118.1	N36	N36-T38 PolarHBondContact O-N 3.11Å; N36-T38 VanDerWaalsContact O-N 3.1Å
39	E	24.8	Very low	23.6	Very low	169 Å²	169	151.2 Å²	151.2	79%	0.79	77%	0.77	S	S	*	*	S	Bend	trans	-105.3	-1	-176	-71.2	-172.5	156.4	0	0	115.8	A41	E39-A41 PolarHBondContact O-N 3.29Å
40	E	24.5	Very low	23.7	Very low	195 Å²	195	151 Å²	151	91%	0.911	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-14.5	164.6	-99	-174.6	163.5	0	0	113	H42	E40-H42 PolarHBondContact O-N 3.38Å
41	A	25	Very low	23.8	Very low	82 Å²	82	152.8 Å²	152.8	68%	0.678	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-6.3	-174.2	0	0	0	0	0	115.6	E39	E39-A41 PolarHBondContact O-N 3.29Å
42	H	21.5	Very low	23.9	Very low	142 Å²	142	150.5 Å²	150.5	66%	0.657	78%	0.778	S	S	*	*	S	Bend	trans	-120.9	-3.5	-176.5	-89.7	-58.6	0	0	0	116.7	E40 C44 T45	E40-H42 PolarHBondContact O-N 3.38Å; H42-C44 PolarHBondContact O-N 3.14Å; H42-T45 PolarHBondContact O-N 3.47Å; H42-T45 PolarHBondContact O-OG1 3.32Å
43	F	23.7	Very low	24	Very low	199 Å²	199	150 Å²	150	87%	0.873	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-4.6	179.4	-114	-86.1	0	0	0	114.9
44	C	22.6	Very low	24	Very low	133 Å²	133	151 Å²	151	90%	0.899	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	6.5	171.2	-73.4	0	0	0	0	114.7	H42	H42-C44 PolarHBondContact O-N 3.14Å
45	T	23.2	Very low	24.1	Very low	82 Å²	82	146.8 Å²	146.8	50%	0.503	78%	0.783	S	S	.	*	S	Bend	trans	-128.3	109.6	178.3	35.7	0	0	0	0	111.3	H42	H42-T45 PolarHBondContact O-N 3.47Å; H42-T45 PolarHBondContact O-OG1 3.32Å
46	N	23.3	Very low	24.2	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	78%	0.782	S	S	*	*			trans	120.2	37.6	161.7	-60.7	-32.8	0	0	0	118.8	K48	N46-K48 PolarHBondContact O-N 3.49Å
47	Y	23.6	Very low	24.4	Very low	225 Å²	225	145.6 Å²	145.6	88%	0.882	79%	0.785	S	S	*	*			trans	-90.3	66	146.8	-105	-87.4	0	0	0	110.5
48	K	20.3	Very low	24.4	Very low	194 Å²	194	141.4 Å²	141.4	84%	0.843	77%	0.768	S	S	*	*			trans	-96	90.5	158.3	-94.7	-176.1	175.8	176	0	107.1	N46	N46-K48 PolarHBondContact O-N 3.49Å
49	T	24.6	Very low	24.8	Very low	108 Å²	108	139.7 Å²	139.7	66%	0.663	75%	0.754	S	S	*	*			trans	-132.6	116.6	158.3	42.9	0	0	0	0	108.5	T51	T49-T51 PolarHBondContact O-N 3.21Å
50	N	26.5	Very low	25.8	Very low	164 Å²	164	137.3 Å²	137.3	88%	0.877	75%	0.746	S	S	*	*			trans	-49.9	95.6	-176.3	-80.5	-26.9	0	0	0	113.9
51	T	23.5	Very low	26.4	Very low	124 Å²	124	129 Å²	129	76%	0.761	71%	0.708	S	S	*	*			trans	-133.4	96.4	145.2	32.1	0	0	0	0	107.7	T49 V53	T49-T51 PolarHBondContact O-N 3.21Å; T51-V53 PolarHBondContact O-N 3.07Å
52	T	24.1	Very low	26.9	Very low	142 Å²	142	127 Å²	127	87%	0.871	69%	0.686	S	S	*	*			trans	-64.7	77.4	166.6	40.6	0	0	0	0	109.4
53	V	23.2	Very low	28	Very low	123 Å²	123	125 Å²	125	75%	0.745	68%	0.677	S	S	*	*	S	Bend	trans	-141.2	94.6	164.4	-174.5	0	0	0	0	106.5	T51	T51-V53 PolarHBondContact O-N 3.07Å
54	A	22.3	Very low	29.1	Very low	79 Å²	79	119.4 Å²	119.4	65%	0.653	66%	0.656	S	S	*	*			trans	32.1	90	166.7	0	0	0	0	0	115.8	Q56	A54-Q56 HydrophobicContact CB-CG 4.47Å; A54-Q56 PolarHBondContact O-N 3.25Å
55	T	23.3	Very low	30.1	Very low	147 Å²	147	113.1 Å²	113.1	90%	0.902	61%	0.614	S	S	*	*			trans	-60	82.2	149	45.8	0	0	0	0	107.3	D57	T55-D57 PolarHBondContact O-N 3.3Å
56	Q	25.8	Very low	31	Very low	166 Å²	166	111.5 Å²	111.5	78%	0.776	60%	0.601	S	S	*	*			trans	-61.4	119.6	165.9	-82.1	-179.9	-18.6	0	0	106	A54 C58	A54-Q56 HydrophobicContact CB-CG 4.47Å; A54-Q56 PolarHBondContact O-N 3.25Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.35Å
57	D	26.9	Very low	32.4	Very low	164 Å²	164	110.5 Å²	110.5	88%	0.877	59%	0.592	S	S	*	*			trans	-38.4	102.4	161	-77.4	-42.8	0	0	0	108.1	T55 D59	T55-D57 PolarHBondContact O-N 3.3Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.14Å
58	C	31.6	Very low	33.5	Very low	73 Å²	73	101.2 Å²	101.2	49%	0.493	56%	0.559	S	S	.	*			trans	-66.3	107.3	166.5	-79.5	0	0	0	0	104.4	Q56 I60 E63	Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-C58 PolarHBondContact O-N 3.35Å; C58-I60 PolarHBondContact O-N 3.45Å; C58-I60 VanDerWaalsContact O-N 3.17Å; C58-E63 HydrophobicContact CB-CG 4.12Å
59	D	36.5	Very low	34.8	Very low	77 Å²	77	92.4 Å²	92.4	41%	0.412	52%	0.522	S	S	.	.			trans	-38.9	126.1	170.1	-179.2	-29	0	0	0	108.3	D57 T61 I62 E63	D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.14Å; D59-T61 CarbonylContact O-C 3.44Å; D59-T61 PolarHBondContact O-N 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.29Å; D59-T61 PolarHBondContact OD1-N 2.89Å; D59-T61 PolarHBondContact OD1-OG1 3.39Å; D59-I62 HydrophobicContact CB-CD1 4.07Å; D59-I62 HydrophobicContact CB-CG1 4.16Å; D59-I62 WeakPolarHBondContact O-CA 3.22Å; D59-I62 WeakPolarHBondContact O-CB 3.37Å; D59-I62 PolarHBondContact O-N 3.48Å; D59-E63 PolarHBondContact O-N 2.94Å
60	I	45.5	Very low	35.9	Very low	119 Å²	119	89.8 Å²	89.8	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-49.1	-25.8	-178.7	-164.5	163.6	0	0	0	112.2	C58 N64	C58-I60 PolarHBondContact O-N 3.45Å; C58-I60 VanDerWaalsContact O-N 3.17Å; I60-N64 WeakPolarHBondContact O-CB 3.49Å; I60-N64 VanDerWaalsContact O-CG 3.25Å; I60-N64 PolarHBondContact O-N 2.86Å; I60-N64 PolarHBondContact O-ND2 3.4Å
61	T	36.6	Very low	37.1	Very low	20 Å²	20	84 Å²	84	12%	0.123	48%	0.483	C	S	.	.	H	α-helix	trans	-63.2	-42.8	172.3	-50.6	0	0	0	0	113.1	D59 N64 F65 V173 R177	D59-T61 CarbonylContact O-C 3.44Å; D59-T61 PolarHBondContact O-N 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.29Å; D59-T61 PolarHBondContact OD1-N 2.89Å; D59-T61 PolarHBondContact OD1-OG1 3.39Å; T61-N64 PolarHBondContact O-N 2.96Å; T61-F65 WeakPolarHBondContact O-CB 3.35Å; T61-F65 PolarHBondContact O-N 3.42Å; T61-V173 HydrophobicContact CG2-CG1 3.63Å; T61-R177 HydrophobicContact CG2-CB 3.3Å; T61-R177 HydrophobicContact CG2-CG 4.33Å
62	I	36.7	Very low	38.5	Very low	42 Å²	42	81 Å²	81	22%	0.215	46%	0.459	C	S	.	.	H	α-helix	trans	-67	-42.9	178.2	-64.1	174.1	0	0	0	109.8	D59 F65 I66 F181	D59-I62 HydrophobicContact CB-CD1 4.07Å; D59-I62 HydrophobicContact CB-CG1 4.16Å; D59-I62 WeakPolarHBondContact O-CA 3.22Å; D59-I62 WeakPolarHBondContact O-CB 3.37Å; D59-I62 PolarHBondContact O-N 3.48Å; I62-F65 WeakPolarHBondContact O-CB 3.47Å; I62-F65 PolarHBondContact O-N 3.4Å; I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 HydrophobicContact CG2-CG1 4.45Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.23Å; I62-F181 HydrophobicContact CG2-CD2 4.16Å; I62-F181 HydrophobicContact CG2-CE2 4.07Å
63	E	43.7	Very low	39.6	Very low	99 Å²	99	74.4 Å²	74.4	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-47.8	174.4	-70.8	-174.2	160.8	0	0	111.5	C58 D59 F65 I66 Q67	C58-E63 HydrophobicContact CB-CG 4.12Å; D59-E63 PolarHBondContact O-N 2.94Å; E63-F65 VanDerWaalsContact C-N 3.27Å; E63-F65 PolarHBondContact O-N 2.71Å; E63-I66 PolarHBondContact O-N 2.94Å; E63-I66 VanDerWaalsContact O-N 3.16Å; E63-Q67 WeakPolarHBondContact O-CB 3.34Å; E63-Q67 WeakPolarHBondContact O-CG 3.29Å; E63-Q67 PolarHBondContact O-N 3.03Å
64	N	47.9	Very low	40.9	Very low	81 Å²	81	69.5 Å²	69.5	43%	0.433	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-38	175.2	-76.7	-46.6	0	0	0	112.6	I60 T61 C68	I60-N64 WeakPolarHBondContact O-CB 3.49Å; I60-N64 VanDerWaalsContact O-CG 3.25Å; I60-N64 PolarHBondContact O-N 2.86Å; I60-N64 PolarHBondContact O-ND2 3.4Å; T61-N64 PolarHBondContact O-N 2.96Å; N64-C68 VanDerWaalsContact O-CB 3.27Å; N64-C68 WeakPolarHBondContact O-CB 3.48Å; N64-C68 PolarHBondContact O-N 3.13Å
65	F	41.9	Very low	42.4	Very low	2 Å²	2	73.2 Å²	73.2	1%	0.009	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-44.4	175.7	178.6	-100.7	0	0	0	112.4	T61 I62 E63 C68 L69 L166 C169 V170 V173 I178 F181	T61-F65 WeakPolarHBondContact O-CB 3.35Å; T61-F65 PolarHBondContact O-N 3.42Å; I62-F65 WeakPolarHBondContact O-CB 3.47Å; I62-F65 PolarHBondContact O-N 3.4Å; E63-F65 VanDerWaalsContact C-N 3.27Å; E63-F65 PolarHBondContact O-N 2.71Å; F65-C68 PolarHBondContact O-N 2.83Å; F65-L69 WeakPolarHBondContact O-CB 3.05Å; F65-L69 PolarHBondContact O-N 2.83Å; F65-L166 HydrophobicContact CE1-CD1 4.27Å; F65-L166 HydrophobicContact CE2-CD1 4.48Å; F65-L166 HydrophobicContact CZ-CD1 3.55Å; F65-C169 HydrophobicContact CD2-CB 3.86Å; F65-C169 HydrophobicContact CE2-CB 3.67Å; F65-V170 HydrophobicContact CE2-CG2 3.8Å; F65-V170 HydrophobicContact CZ-CG2 4.23Å; F65-V173 HydrophobicContact CB-CG1 4.41Å; F65-V173 HydrophobicContact CB-CG2 4.19Å; F65-V173 HydrophobicContact CD2-CB 4.44Å; F65-V173 HydrophobicContact CD2-CG2 4.25Å; F65-I178 HydrophobicContact CD2-CD1 3.73Å; F65-I178 HydrophobicContact CD2-CG1 4.22Å; F65-I178 HydrophobicContact CD2-CG2 4.38Å; F65-I178 HydrophobicContact CE2-CD1 3.9Å; F65-I178 HydrophobicContact CE2-CG2 4.25Å; F65-I178 HydrophobicContact CZ-CG2 4.36Å; F65-F181 AromaticContact CD1-CD2 3.72Å; F65-F181 HydrophobicContact CD1-CD2 3.72Å; F65-F181 AromaticContact CD1-CE2 3.55Å; F65-F181 HydrophobicContact CD1-CE2 3.55Å; F65-F181 HydrophobicContact CD1-CG 4.35Å; F65-F181 HydrophobicContact CD1-CZ 4.07Å; F65-F181 HydrophobicContact CE1-CD1 4.19Å; F65-F181 AromaticContact CE1-CD2 3.89Å; F65-F181 HydrophobicContact CE1-CD2 3.89Å; F65-F181 HydrophobicContact CE1-CE1 4.07Å; F65-F181 AromaticContact CE1-CE2 3.75Å; F65-F181 HydrophobicContact CE1-CE2 3.75Å; F65-F181 HydrophobicContact CE1-CG 4.1Å; F65-F181 AromaticContact CE1-CZ 3.84Å; F65-F181 HydrophobicContact CE1-CZ 3.84Å
66	I	43.7	Very low	43.6	Very low	47 Å²	47	69.9 Å²	69.9	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-45.4	176.7	-68.1	168.8	0	0	0	110	I62 E63 C68 L69 N70 F181	I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 HydrophobicContact CG2-CG1 4.45Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.23Å; E63-I66 PolarHBondContact O-N 2.94Å; E63-I66 VanDerWaalsContact O-N 3.16Å; I66-C68 PolarHBondContact O-N 3.21Å; I66-L69 PolarHBondContact O-N 2.96Å; I66-N70 WeakPolarHBondContact CG2-ND2 3.37Å; I66-N70 VanDerWaalsContact O-CB 3.3Å; I66-N70 WeakPolarHBondContact O-CB 3.47Å; I66-N70 VanDerWaalsContact O-CG 3.24Å; I66-N70 PolarHBondContact O-N 3.29Å; I66-N70 PolarHBondContact O-ND2 2.87Å; I66-F181 HydrophobicContact CD1-CE2 4.49Å; I66-F181 HydrophobicContact CG1-CE2 4.16Å
67	Q	51.2	Low	44.5	Very low	125 Å²	125	62.4 Å²	62.4	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-44.5	175.7	-72.8	-179.7	-0.1	0	0	112	E63 L69 G71	E63-Q67 WeakPolarHBondContact O-CB 3.34Å; E63-Q67 WeakPolarHBondContact O-CG 3.29Å; E63-Q67 PolarHBondContact O-N 3.03Å; Q67-L69 PolarHBondContact O-N 3.22Å; Q67-G71 PolarHBondContact O-N 3.43Å
68	C	48.5	Very low	45.5	Very low	29 Å²	29	58.7 Å²	58.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-49.1	173.5	174.1	0	0	0	0	111.5	N64 F65 I66 G71 K72 C169	N64-C68 VanDerWaalsContact O-CB 3.27Å; N64-C68 WeakPolarHBondContact O-CB 3.48Å; N64-C68 PolarHBondContact O-N 3.13Å; F65-C68 PolarHBondContact O-N 2.83Å; I66-C68 PolarHBondContact O-N 3.21Å; C68-G71 PolarHBondContact O-N 3.03Å; C68-K72 WeakPolarHBondContact O-CG 3.38Å; C68-K72 PolarHBondContact O-N 2.95Å; C68-K72 WeakPolarHBondContact SG-CE 3.48Å; C68-C169 HydrophobicContact CB-CB 3.97Å; C68-C169 WeakPolarHBondContact CB-SG 3.36Å; C68-C169 PolarHBondContact O-SG 3.05Å; C68-C169 VanDerWaalsContact O-SG 3.41Å; C68-C169 WeakPolarHBondContact SG-CA 3.07Å; C68-C169 WeakPolarHBondContact SG-CB 3.32Å; C68-C169 CovalentContact SG-SG 2.06Å; C68-C169 PolarHBondContact SG-SG 2.78Å
69	L	46.3	Very low	46.3	Very low	10 Å²	10	58.3 Å²	58.3	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-49.4	-176.8	-176.4	65.4	0	0	0	110.1	F65 I66 Q67 G71 K72 L73 L166 C169	F65-L69 WeakPolarHBondContact O-CB 3.05Å; F65-L69 PolarHBondContact O-N 2.83Å; I66-L69 PolarHBondContact O-N 2.96Å; Q67-L69 PolarHBondContact O-N 3.22Å; L69-G71 PolarHBondContact O-N 3.06Å; L69-K72 PolarHBondContact O-N 3.23Å; L69-L73 HydrophobicContact CD1-CD1 4.19Å; L69-L73 HydrophobicContact CD1-CG 4.3Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.38Å; L69-L166 HydrophobicContact CD1-CB 4.44Å; L69-C169 VanDerWaalsContact CA-SG 3.58Å; L69-C169 PolarHBondContact N-SG 2.91Å
70	N	47.4	Very low	46.5	Very low	52 Å²	52	55.9 Å²	55.9	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-45.7	176.6	-73.3	-16.5	0	0	0	111.3	I66 L73 A74	I66-N70 WeakPolarHBondContact CG2-ND2 3.37Å; I66-N70 VanDerWaalsContact O-CB 3.3Å; I66-N70 WeakPolarHBondContact O-CB 3.47Å; I66-N70 VanDerWaalsContact O-CG 3.24Å; I66-N70 PolarHBondContact O-N 3.29Å; I66-N70 PolarHBondContact O-ND2 2.87Å; N70-L73 PolarHBondContact O-N 3.13Å; N70-A74 WeakPolarHBondContact O-CB 3.5Å; N70-A74 PolarHBondContact O-N 2.76Å
71	G	52.2	Low	46.1	Very low	43 Å²	43	54.1 Å²	54.1	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177.9	0	0	0	0	0	113.5	Q67 C68 L69 K75	Q67-G71 PolarHBondContact O-N 3.43Å; C68-G71 PolarHBondContact O-N 3.03Å; L69-G71 PolarHBondContact O-N 3.06Å; G71-K75 WeakPolarHBondContact O-CB 3.35Å; G71-K75 PolarHBondContact O-N 3.09Å
72	K	52.5	Low	46.5	Very low	60 Å²	60	57.3 Å²	57.3	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-42.1	177.9	-71	-171.3	-159.6	-77.1	0	112.3	C68 L69 K75 K76 Q168 C169 D172	C68-K72 WeakPolarHBondContact O-CG 3.38Å; C68-K72 PolarHBondContact O-N 2.95Å; C68-K72 WeakPolarHBondContact SG-CE 3.48Å; L69-K72 PolarHBondContact O-N 3.23Å; K72-K75 PolarHBondContact O-N 3.41Å; K72-K76 WeakPolarHBondContact O-CG 3.37Å; K72-K76 PolarHBondContact O-N 3.49Å; K72-Q168 HydrophobicContact CD-CB 4.04Å; K72-Q168 HydrophobicContact CD-CG 4.07Å; K72-Q168 VanDerWaalsContact CE-CG 3.47Å; K72-Q168 VanDerWaalsContact NZ-CG 3.33Å; K72-C169 VanDerWaalsContact CE-SG 3.52Å; K72-D172 WeakPolarHBondContact CE-OD2 3.32Å; K72-D172 IonicContact NZ-OD2 2.7Å; K72-D172 PolarHBondContact NZ-OD2 3.27Å
73	L	47.7	Very low	46.5	Very low	5 Å²	5	60 Å²	60	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-46.7	173.5	-72.9	176.4	0	0	0	110.4	L69 N70 K75 K76 L77 T162	L69-L73 HydrophobicContact CD1-CD1 4.19Å; L69-L73 HydrophobicContact CD1-CG 4.3Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.38Å; N70-L73 PolarHBondContact O-N 3.13Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.31Å; L73-K76 PolarHBondContact O-N 3.35Å; L73-K76 VanDerWaalsContact O-N 3.13Å; L73-L77 HydrophobicContact CB-CD1 4.46Å; L73-L77 WeakPolarHBondContact O-CB 3.41Å; L73-L77 WeakPolarHBondContact O-CD1 3.47Å; L73-L77 PolarHBondContact O-N 2.91Å; L73-T162 HydrophobicContact CD2-CG2 4.44Å
74	A	50.4	Low	46.1	Very low	19 Å²	19	56.8 Å²	56.8	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-44.4	176.5	0	0	0	0	0	112.2	N70 L77 N78 W132	N70-A74 WeakPolarHBondContact O-CB 3.5Å; N70-A74 PolarHBondContact O-N 2.76Å; A74-L77 CarbonylContact O-C 3.47Å; A74-L77 PolarHBondContact O-N 3.37Å; A74-N78 VanDerWaalsContact O-CB 3.29Å; A74-N78 WeakPolarHBondContact O-CB 3.24Å; A74-N78 VanDerWaalsContact O-CG 3.26Å; A74-N78 PolarHBondContact O-N 3.25Å; A74-W132 VanDerWaalsContact CA-CZ2 3.4Å; A74-W132 HydrophobicContact CB-CH2 4.08Å; A74-W132 HydrophobicContact CB-CZ2 3.35Å
75	K	53.1	Low	46	Very low	157 Å²	157	55 Å²	55	68%	0.683	30%	0.296	S	S	*	.	H	α-helix	trans	-60.9	-46	174.5	-174.6	175.6	-179.1	173.2	0	112	G71 K72 L73 L77 N78 V79	G71-K75 WeakPolarHBondContact O-CB 3.35Å; G71-K75 PolarHBondContact O-N 3.09Å; K72-K75 PolarHBondContact O-N 3.41Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.31Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.94Å; K75-N78 PolarHBondContact O-N 3.35Å; K75-V79 WeakPolarHBondContact O-CG2 3.33Å; K75-V79 PolarHBondContact O-N 3.22Å
76	K	49.4	Very low	46.2	Very low	78 Å²	78	60.2 Å²	60.2	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-37	177.7	-71.6	-70.8	-175.4	178.1	0	112.2	K72 L73 V79 L80 A161	K72-K76 WeakPolarHBondContact O-CG 3.37Å; K72-K76 PolarHBondContact O-N 3.49Å; L73-K76 PolarHBondContact O-N 3.35Å; L73-K76 VanDerWaalsContact O-N 3.13Å; K76-V79 WeakPolarHBondContact O-CB 3.44Å; K76-L80 PolarHBondContact O-N 3Å; K76-L80 VanDerWaalsContact O-N 3.12Å; K76-A161 HydrophobicContact CG-CB 4.47Å
77	L	44.2	Very low	46.2	Very low	9 Å²	9	61.2 Å²	61.2	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-75.5	-32.6	176.2	-85	147.7	0	0	0	113.1	L73 A74 K75 V79 L80 K81 W132 L136 L139 F158	L73-L77 HydrophobicContact CB-CD1 4.46Å; L73-L77 WeakPolarHBondContact O-CB 3.41Å; L73-L77 WeakPolarHBondContact O-CD1 3.47Å; L73-L77 PolarHBondContact O-N 2.91Å; A74-L77 CarbonylContact O-C 3.47Å; A74-L77 PolarHBondContact O-N 3.37Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.94Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-L80 HydrophobicContact CD2-CD1 4.18Å; L77-L80 CarbonylContact O-C 3.45Å; L77-L80 WeakPolarHBondContact O-CA 3.21Å; L77-L80 WeakPolarHBondContact O-CB 3.42Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-K81 WeakPolarHBondContact O-CB 3.22Å; L77-K81 WeakPolarHBondContact O-CG 3.02Å; L77-K81 PolarHBondContact O-N 3.36Å; L77-W132 HydrophobicContact CB-CE3 4.49Å; L77-W132 HydrophobicContact CB-CH2 3.29Å; L77-W132 HydrophobicContact CB-CZ3 3.26Å; L77-W132 HydrophobicContact CD1-CE3 3.7Å; L77-W132 HydrophobicContact CD1-CH2 3.9Å; L77-W132 HydrophobicContact CD1-CZ3 3.2Å; L77-W132 HydrophobicContact CD2-CZ3 3.93Å; L77-W132 HydrophobicContact CG-CE3 4.49Å; L77-W132 HydrophobicContact CG-CH2 4.11Å; L77-W132 HydrophobicContact CG-CZ3 3.59Å; L77-L136 HydrophobicContact CD1-CD1 4.05Å; L77-L136 HydrophobicContact CD1-CD2 4.26Å; L77-L136 HydrophobicContact CD1-CG 4.26Å; L77-L136 HydrophobicContact CD2-CD2 3.67Å; L77-L136 HydrophobicContact CD2-CG 4.12Å; L77-L139 HydrophobicContact CD2-CD2 4.3Å; L77-F158 HydrophobicContact CD1-CE2 4.23Å
78	N	49	Very low	45.5	Very low	85 Å²	85	56 Å²	56	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-37.1	172	-80	-13.9	0	0	0	110.8	A74 K75 K81 S82	A74-N78 VanDerWaalsContact O-CB 3.29Å; A74-N78 WeakPolarHBondContact O-CB 3.24Å; A74-N78 VanDerWaalsContact O-CG 3.26Å; A74-N78 PolarHBondContact O-N 3.25Å; K75-N78 PolarHBondContact O-N 3.35Å; N78-K81 PolarHBondContact O-N 3.13Å; N78-S82 WeakPolarHBondContact O-CB 3.28Å; N78-S82 PolarHBondContact O-N 3.11Å; N78-S82 PolarHBondContact O-OG 2.91Å; N78-S82 VanDerWaalsContact O-OG 3.09Å
79	V	48.1	Very low	45.1	Very low	65 Å²	65	58.5 Å²	58.5	39%	0.394	33%	0.325	S	S	.	.	H	α-helix	trans	-57.2	-51.8	167.8	171.8	0	0	0	0	109.6	K75 K76 L77 K81 S82 E83	K75-V79 WeakPolarHBondContact O-CG2 3.33Å; K75-V79 PolarHBondContact O-N 3.22Å; K76-V79 WeakPolarHBondContact O-CB 3.44Å; L77-V79 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3Å; V79-S82 PolarHBondContact O-N 3.37Å; V79-S82 PolarHBondContact O-OG 3.46Å; V79-E83 HydrophobicContact CG1-CG 4.41Å; V79-E83 VanDerWaalsContact O-CB 3.29Å; V79-E83 WeakPolarHBondContact O-CB 3.36Å; V79-E83 WeakPolarHBondContact O-CG 3.4Å; V79-E83 PolarHBondContact O-N 2.64Å
80	L	41.2	Very low	45.1	Very low	27 Å²	27	63.4 Å²	63.4	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-55.2	-47.4	174.6	-77.7	158	0	0	0	112.4	K76 L77 E83 L84 Y157	K76-L80 PolarHBondContact O-N 3Å; K76-L80 VanDerWaalsContact O-N 3.12Å; L77-L80 HydrophobicContact CD2-CD1 4.18Å; L77-L80 CarbonylContact O-C 3.45Å; L77-L80 WeakPolarHBondContact O-CA 3.21Å; L77-L80 WeakPolarHBondContact O-CB 3.42Å; L77-L80 PolarHBondContact O-N 3.32Å; L80-E83 CarbonylContact O-C 3.35Å; L80-E83 WeakPolarHBondContact O-CA 3.45Å; L80-E83 WeakPolarHBondContact O-CB 3.12Å; L80-E83 PolarHBondContact O-N 2.77Å; L80-E83 VanDerWaalsContact O-N 3.08Å; L80-L84 HydrophobicContact CB-CD1 4.45Å; L80-L84 WeakPolarHBondContact O-CB 3.08Å; L80-L84 WeakPolarHBondContact O-CD1 3.14Å; L80-L84 WeakPolarHBondContact O-CG 3.42Å; L80-L84 PolarHBondContact O-N 3.22Å; L80-Y157 HydrophobicContact CD1-CD1 4.39Å; L80-Y157 HydrophobicContact CD1-CE1 4.15Å; L80-Y157 HydrophobicContact CD2-CD1 4.49Å; L80-Y157 HydrophobicContact CD2-CE1 4.4Å; L80-Y157 HydrophobicContact CG-CE1 4.32Å
81	K	37	Very low	44.7	Very low	81 Å²	81	67.1 Å²	67.1	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-44.9	178.8	-79.6	-178.7	171.9	-173.3	0	113.4	L77 N78 V79 E83 L84 R135	L77-K81 WeakPolarHBondContact O-CB 3.22Å; L77-K81 WeakPolarHBondContact O-CG 3.02Å; L77-K81 PolarHBondContact O-N 3.36Å; N78-K81 PolarHBondContact O-N 3.13Å; V79-K81 PolarHBondContact O-N 3Å; K81-E83 PolarHBondContact O-N 3.38Å; K81-L84 PolarHBondContact O-N 3.45Å; K81-R135 VanDerWaalsContact NZ-CD 3.3Å
82	S	45.1	Very low	44	Very low	88 Å²	88	67 Å²	67	62%	0.615	35%	0.35	S	S	*	.	H	α-helix	trans	-62	-27.4	174	66.5	0	0	0	0	111.4	N78 V79	N78-S82 WeakPolarHBondContact O-CB 3.28Å; N78-S82 PolarHBondContact O-N 3.11Å; N78-S82 PolarHBondContact O-OG 2.91Å; N78-S82 VanDerWaalsContact O-OG 3.09Å; V79-S82 PolarHBondContact O-N 3.37Å; V79-S82 PolarHBondContact O-OG 3.46Å
83	E	36.1	Very low	43.3	Very low	98 Å²	98	65.6 Å²	65.6	46%	0.458	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	9.8	174.5	-63.3	-101.3	-179.7	0	0	113.1	V79 L80 K81 T88 L92	V79-E83 HydrophobicContact CG1-CG 4.41Å; V79-E83 VanDerWaalsContact O-CB 3.29Å; V79-E83 WeakPolarHBondContact O-CB 3.36Å; V79-E83 WeakPolarHBondContact O-CG 3.4Å; V79-E83 PolarHBondContact O-N 2.64Å; L80-E83 CarbonylContact O-C 3.35Å; L80-E83 WeakPolarHBondContact O-CA 3.45Å; L80-E83 WeakPolarHBondContact O-CB 3.12Å; L80-E83 PolarHBondContact O-N 2.77Å; L80-E83 VanDerWaalsContact O-N 3.08Å; K81-E83 PolarHBondContact O-N 3.38Å; E83-T88 VanDerWaalsContact C-CB 3.42Å; E83-T88 VanDerWaalsContact C-CG2 3.43Å; E83-T88 HydrophobicContact CB-CG2 4.09Å; E83-T88 WeakPolarHBondContact O-CB 3.32Å; E83-T88 WeakPolarHBondContact O-CG2 3.49Å; E83-L92 WeakPolarHBondContact O-CD1 3.25Å
84	L	34.6	Very low	42.8	Very low	32 Å²	32	69.1 Å²	69.1	17%	0.168	37%	0.369	C	S	.	.			trans	-113.3	11.2	-175.6	-82.3	164.6	0	0	0	114.5	L80 K81 K89 L92 L139 F142	L80-L84 HydrophobicContact CB-CD1 4.45Å; L80-L84 WeakPolarHBondContact O-CB 3.08Å; L80-L84 WeakPolarHBondContact O-CD1 3.14Å; L80-L84 WeakPolarHBondContact O-CG 3.42Å; L80-L84 PolarHBondContact O-N 3.22Å; K81-L84 PolarHBondContact O-N 3.45Å; L84-K89 HydrophobicContact CD2-CG 4.32Å; L84-K89 WeakPolarHBondContact O-CE 3.36Å; L84-K89 WeakPolarHBondContact O-CG 3.18Å; L84-L92 HydrophobicContact CD2-CD1 4.47Å; L84-L139 HydrophobicContact CD1-CD1 3.69Å; L84-L139 HydrophobicContact CD2-CD1 4.29Å; L84-F142 HydrophobicContact CD2-CE1 4.23Å
85	S	45.1	Very low	42	Very low	44 Å²	44	72.2 Å²	72.2	31%	0.308	39%	0.388	S	S	.	.	S	Bend	trans	-52.4	154.6	170	85.5	0	0	0	0	110.5	S87 T88 K89	S85-S87 PolarHBondContact O-N 3.19Å; S85-S87 VanDerWaalsContact O-N 3.14Å; S85-S87 PolarHBondContact OG-N 2.69Å; S85-S87 PolarHBondContact OG-OG 2.78Å; S85-T88 CarbonylContact O-C 3.53Å; S85-T88 VanDerWaalsContact O-CA 3.29Å; S85-T88 WeakPolarHBondContact O-CA 3.39Å; S85-T88 PolarHBondContact O-N 2.84Å; S85-T88 PolarHBondContact OG-N 3.26Å; S85-T88 PolarHBondContact OG-OG1 3.3Å; S85-K89 PolarHBondContact O-N 3.48Å
86	P	48.1	Very low	41	Very low	110 Å²	110	67 Å²	67	71%	0.714	37%	0.365	S	S	*	.	H	α-helix	trans	-52.8	-38.5	176.3	-26.3	34.4	0	0	0	112.7	T88 K89 Q90	P86-T88 VanDerWaalsContact C-N 3.28Å; P86-T88 PolarHBondContact O-N 3.41Å; P86-K89 PolarHBondContact O-N 3.42Å; P86-Q90 WeakPolarHBondContact O-CB 3.47Å; P86-Q90 PolarHBondContact O-N 2.86Å
87	S	43.1	Very low	40.2	Very low	69 Å²	69	68 Å²	68	48%	0.483	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-33.7	173.1	83.7	0	0	0	0	112.1	S85 Q90 K91	S85-S87 PolarHBondContact O-N 3.19Å; S85-S87 VanDerWaalsContact O-N 3.14Å; S85-S87 PolarHBondContact OG-N 2.69Å; S85-S87 PolarHBondContact OG-OG 2.78Å; S87-Q90 CarbonylContact O-C 3.5Å; S87-K91 VanDerWaalsContact O-CG 3.24Å; S87-K91 WeakPolarHBondContact O-CG 3.24Å; S87-K91 PolarHBondContact O-N 3.44Å
88	T	36.1	Very low	39.6	Very low	15 Å²	15	69.9 Å²	69.9	9%	0.092	39%	0.387	C	S	.	.	H	α-helix	trans	-84.6	-26.7	177.3	-33.6	0	0	0	0	113.5	E83 S85 P86 Q90 K91 L92	E83-T88 VanDerWaalsContact C-CB 3.42Å; E83-T88 VanDerWaalsContact C-CG2 3.43Å; E83-T88 HydrophobicContact CB-CG2 4.09Å; E83-T88 WeakPolarHBondContact O-CB 3.32Å; E83-T88 WeakPolarHBondContact O-CG2 3.49Å; S85-T88 CarbonylContact O-C 3.53Å; S85-T88 VanDerWaalsContact O-CA 3.29Å; S85-T88 WeakPolarHBondContact O-CA 3.39Å; S85-T88 PolarHBondContact O-N 2.84Å; S85-T88 PolarHBondContact OG-N 3.26Å; S85-T88 PolarHBondContact OG-OG1 3.3Å; P86-T88 VanDerWaalsContact C-N 3.28Å; P86-T88 PolarHBondContact O-N 3.41Å; T88-Q90 VanDerWaalsContact C-N 3.29Å; T88-K91 HydrophobicContact CG2-CB 4.25Å; T88-K91 HydrophobicContact CG2-CD 4.36Å; T88-K91 CarbonylContact O-C 3.18Å; T88-K91 PolarHBondContact O-N 3.06Å; T88-L92 VanDerWaalsContact O-CB 3.26Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CG 3.33Å; T88-L92 PolarHBondContact O-N 2.98Å
89	K	40.6	Very low	38.7	Very low	82 Å²	82	69 Å²	69	36%	0.357	39%	0.387	S	S	.	.	H	α-helix	trans	-60.8	-44.2	163.3	-72.2	177.6	175.7	-167.4	0	109.3	L84 S85 P86 L92 A93 F142	L84-K89 HydrophobicContact CD2-CG 4.32Å; L84-K89 WeakPolarHBondContact O-CE 3.36Å; L84-K89 WeakPolarHBondContact O-CG 3.18Å; S85-K89 PolarHBondContact O-N 3.48Å; P86-K89 PolarHBondContact O-N 3.42Å; K89-L92 PolarHBondContact O-N 3.45Å; K89-A93 WeakPolarHBondContact O-CB 3.16Å; K89-A93 PolarHBondContact O-N 2.86Å; K89-F142 HydrophobicContact CB-CZ 4.41Å; K89-F142 HydrophobicContact CD-CE1 4.21Å; K89-F142 HydrophobicContact CD-CE2 3.91Å; K89-F142 HydrophobicContact CD-CZ 3.48Å; K89-F142 VanDerWaalsContact CD-CZ 3.48Å; K89-F142 HydrophobicContact CG-CE1 4.24Å; K89-F142 HydrophobicContact CG-CZ 3.79Å
90	Q	44.9	Very low	37.7	Very low	112 Å²	112	68.7 Å²	68.7	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-39.8	171.7	-161.3	70.7	33.4	0	0	111.4	P86 S87 T88 N94	P86-Q90 WeakPolarHBondContact O-CB 3.47Å; P86-Q90 PolarHBondContact O-N 2.86Å; S87-Q90 CarbonylContact O-C 3.5Å; T88-Q90 VanDerWaalsContact C-N 3.29Å; Q90-N94 PolarHBondContact NE2-OD1 3.3Å; Q90-N94 WeakPolarHBondContact O-CA 3.06Å; Q90-N94 WeakPolarHBondContact O-CB 2.94Å; Q90-N94 PolarHBondContact O-N 2.87Å; Q90-N94 PolarHBondContact O-ND2 3.44Å; Q90-N94 PolarHBondContact O-OD1 3.28Å
91	K	39.6	Very low	37.3	Very low	130 Å²	130	70.2 Å²	70.2	57%	0.565	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-39.2	174.8	-72.7	167.2	-178.7	178.4	0	112.1	S87 T88 N94 C95	S87-K91 VanDerWaalsContact O-CG 3.24Å; S87-K91 WeakPolarHBondContact O-CG 3.24Å; S87-K91 PolarHBondContact O-N 3.44Å; T88-K91 HydrophobicContact CG2-CB 4.25Å; T88-K91 HydrophobicContact CG2-CD 4.36Å; T88-K91 CarbonylContact O-C 3.18Å; T88-K91 PolarHBondContact O-N 3.06Å; K91-N94 CarbonylContact O-C 3.05Å; K91-N94 PolarHBondContact O-N 2.73Å; K91-C95 WeakPolarHBondContact O-CA 3.45Å; K91-C95 WeakPolarHBondContact O-CB 3.2Å; K91-C95 PolarHBondContact O-N 3.1Å
92	L	37.5	Very low	36.9	Very low	41 Å²	41	72.9 Å²	72.9	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-67.3	-49.7	175.6	-82.3	163.8	0	0	0	109	E83 L84 T88 K89 N94 C95 F96	E83-L92 WeakPolarHBondContact O-CD1 3.25Å; L84-L92 HydrophobicContact CD2-CD1 4.47Å; T88-L92 VanDerWaalsContact O-CB 3.26Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CG 3.33Å; T88-L92 PolarHBondContact O-N 2.98Å; K89-L92 PolarHBondContact O-N 3.45Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.22Å; L92-C95 PolarHBondContact O-N 2.97Å; L92-C95 VanDerWaalsContact O-N 3.17Å; L92-F96 HydrophobicContact CB-CD2 4.31Å; L92-F96 HydrophobicContact CB-CE2 4.33Å; L92-F96 HydrophobicContact CD2-CD2 4.5Å; L92-F96 HydrophobicContact CD2-CE2 3.83Å; L92-F96 VanDerWaalsContact O-CB 3.31Å; L92-F96 WeakPolarHBondContact O-CB 2.96Å; L92-F96 WeakPolarHBondContact O-CD2 3.46Å; L92-F96 WeakPolarHBondContact O-CG 3.36Å; L92-F96 PolarHBondContact O-N 2.98Å
93	A	38.1	Very low	36	Very low	30 Å²	30	71 Å²	71	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-55.2	-48.1	172.3	0	0	0	0	0	110.9	K89 C95 F96 I97	K89-A93 WeakPolarHBondContact O-CB 3.16Å; K89-A93 PolarHBondContact O-N 2.86Å; A93-C95 PolarHBondContact O-N 3.29Å; A93-F96 PolarHBondContact O-N 2.71Å; A93-I97 HydrophobicContact CB-CD1 4.48Å; A93-I97 WeakPolarHBondContact O-CB 3.42Å; A93-I97 VanDerWaalsContact O-CD1 3.31Å; A93-I97 WeakPolarHBondContact O-CD1 3.48Å; A93-I97 WeakPolarHBondContact O-CG1 3.06Å; A93-I97 PolarHBondContact O-N 2.83Å
94	N	37.7	Very low	35.8	Very low	80 Å²	80	72.7 Å²	72.7	43%	0.428	40%	0.398	S	S	.	.	H	α-helix	trans	-69.4	-30.2	177.8	-69.2	-6.5	0	0	0	112.8	Q90 K91 L92 S98	Q90-N94 PolarHBondContact NE2-OD1 3.3Å; Q90-N94 WeakPolarHBondContact O-CA 3.06Å; Q90-N94 WeakPolarHBondContact O-CB 2.94Å; Q90-N94 PolarHBondContact O-N 2.87Å; Q90-N94 PolarHBondContact O-ND2 3.44Å; Q90-N94 PolarHBondContact O-OD1 3.28Å; K91-N94 CarbonylContact O-C 3.05Å; K91-N94 PolarHBondContact O-N 2.73Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.22Å; N94-S98 WeakPolarHBondContact O-CA 3.37Å; N94-S98 WeakPolarHBondContact O-CB 3.39Å; N94-S98 PolarHBondContact O-N 3.32Å
95	C	33.8	Very low	35.7	Very low	84 Å²	84	78.3 Å²	78.3	57%	0.568	43%	0.428	S	S	*	.	H	α-helix	trans	-78.1	-36.2	178	-165.1	0	0	0	0	109.5	K91 L92 A93 C99	K91-C95 WeakPolarHBondContact O-CA 3.45Å; K91-C95 WeakPolarHBondContact O-CB 3.2Å; K91-C95 PolarHBondContact O-N 3.1Å; L92-C95 PolarHBondContact O-N 2.97Å; L92-C95 VanDerWaalsContact O-N 3.17Å; A93-C95 PolarHBondContact O-N 3.29Å; C95-C99 WeakPolarHBondContact O-CA 3.01Å; C95-C99 WeakPolarHBondContact O-CB 3.13Å; C95-C99 PolarHBondContact O-N 3.07Å
96	F	31.9	Very low	35	Very low	47 Å²	47	80.4 Å²	80.4	21%	0.206	44%	0.435	C	S	.	.	H	α-helix	trans	-71.4	-40.9	170.5	-75.6	-62.3	0	0	0	111.2	L92 A93 C99 L100 V150 C153	L92-F96 HydrophobicContact CB-CD2 4.31Å; L92-F96 HydrophobicContact CB-CE2 4.33Å; L92-F96 HydrophobicContact CD2-CD2 4.5Å; L92-F96 HydrophobicContact CD2-CE2 3.83Å; L92-F96 VanDerWaalsContact O-CB 3.31Å; L92-F96 WeakPolarHBondContact O-CB 2.96Å; L92-F96 WeakPolarHBondContact O-CD2 3.46Å; L92-F96 WeakPolarHBondContact O-CG 3.36Å; L92-F96 PolarHBondContact O-N 2.98Å; A93-F96 PolarHBondContact O-N 2.71Å; F96-C99 PolarHBondContact O-N 2.8Å; F96-L100 VanDerWaalsContact O-CB 3.29Å; F96-L100 WeakPolarHBondContact O-CB 3.22Å; F96-L100 WeakPolarHBondContact O-CD1 3.32Å; F96-L100 WeakPolarHBondContact O-CG 3.42Å; F96-L100 PolarHBondContact O-N 2.94Å; F96-V150 HydrophobicContact CB-CG2 3.97Å; F96-V150 HydrophobicContact CD2-CG1 3.73Å; F96-V150 HydrophobicContact CD2-CG2 4.44Å; F96-V150 HydrophobicContact CE2-CG1 4.01Å; F96-V150 HydrophobicContact CG-CG1 4.25Å; F96-V150 HydrophobicContact CG-CG2 4.22Å; F96-C153 HydrophobicContact CE1-CB 4.04Å; F96-C153 HydrophobicContact CZ-CB 4.49Å
97	I	31.5	Very low	34	Very low	98 Å²	98	82.6 Å²	82.6	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-41.2	173.3	-69.8	161.9	0	0	0	110.6	A93 L100 S101	A93-I97 HydrophobicContact CB-CD1 4.48Å; A93-I97 WeakPolarHBondContact O-CB 3.42Å; A93-I97 VanDerWaalsContact O-CD1 3.31Å; A93-I97 WeakPolarHBondContact O-CD1 3.48Å; A93-I97 WeakPolarHBondContact O-CG1 3.06Å; A93-I97 PolarHBondContact O-N 2.83Å; I97-L100 CarbonylContact O-C 3.36Å; I97-L100 WeakPolarHBondContact O-CB 3.44Å; I97-L100 PolarHBondContact O-N 3.2Å; I97-S101 WeakPolarHBondContact O-CB 3.32Å; I97-S101 PolarHBondContact O-N 3.46Å
98	S	32.6	Very low	33.4	Very low	49 Å²	49	84.8 Å²	84.8	34%	0.343	45%	0.453	S	S	.	.	H	α-helix	trans	-70.6	-35	175.2	177.7	0	0	0	0	111.6	N94 L100 S101 K102	N94-S98 WeakPolarHBondContact O-CA 3.37Å; N94-S98 WeakPolarHBondContact O-CB 3.39Å; N94-S98 PolarHBondContact O-N 3.32Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-S101 PolarHBondContact O-N 2.62Å; S98-S101 PolarHBondContact O-OG 2.98Å; S98-K102 VanDerWaalsContact O-CB 3.28Å; S98-K102 WeakPolarHBondContact O-CB 3.48Å; S98-K102 WeakPolarHBondContact O-CG 3.23Å; S98-K102 PolarHBondContact O-N 2.94Å
99	C	30.2	Very low	32.8	Very low	67 Å²	67	92.3 Å²	92.3	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-42.6	170	-160.3	0	0	0	0	109.5	C95 F96 L103	C95-C99 WeakPolarHBondContact O-CA 3.01Å; C95-C99 WeakPolarHBondContact O-CB 3.13Å; C95-C99 PolarHBondContact O-N 3.07Å; F96-C99 PolarHBondContact O-N 2.8Å; C99-L103 WeakPolarHBondContact O-CB 3.45Å; C99-L103 WeakPolarHBondContact O-CD1 3.32Å; C99-L103 WeakPolarHBondContact O-CG 3.48Å; C99-L103 PolarHBondContact O-N 2.99Å
100	L	27.7	Very low	31.9	Very low	59 Å²	59	99.4 Å²	99.4	31%	0.309	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-39.3	174	-75.2	164.3	0	0	0	112.4	F96 I97 S98 L103 Q104	F96-L100 VanDerWaalsContact O-CB 3.29Å; F96-L100 WeakPolarHBondContact O-CB 3.22Å; F96-L100 WeakPolarHBondContact O-CD1 3.32Å; F96-L100 WeakPolarHBondContact O-CG 3.42Å; F96-L100 PolarHBondContact O-N 2.94Å; I97-L100 CarbonylContact O-C 3.36Å; I97-L100 WeakPolarHBondContact O-CB 3.44Å; I97-L100 PolarHBondContact O-N 3.2Å; S98-L100 VanDerWaalsContact C-N 3.34Å; L100-L103 CarbonylContact O-C 3.6Å; L100-L103 WeakPolarHBondContact O-CB 3.34Å; L100-L103 PolarHBondContact O-N 3.35Å; L100-Q104 PolarHBondContact O-N 3Å
101	S	32.2	Very low	30.9	Very low	58 Å²	58	101.4 Å²	101.4	41%	0.406	51%	0.513	S	S	.	.	H	α-helix	trans	-73.8	-41.3	179.7	80.9	0	0	0	0	111.4	I97 S98 L103 Q104 D105	I97-S101 WeakPolarHBondContact O-CB 3.32Å; I97-S101 PolarHBondContact O-N 3.46Å; S98-S101 PolarHBondContact O-N 2.62Å; S98-S101 PolarHBondContact O-OG 2.98Å; S101-L103 PolarHBondContact O-N 3.34Å; S101-Q104 WeakPolarHBondContact O-CB 3.44Å; S101-Q104 PolarHBondContact O-N 2.92Å; S101-Q104 VanDerWaalsContact O-N 3.1Å; S101-D105 PolarHBondContact O-N 3.25Å
102	K	29.3	Very low	30.1	Very low	137 Å²	137	99.8 Å²	99.8	60%	0.596	51%	0.514	S	S	*	.	H	α-helix	trans	-64.1	-30.7	169.2	-74.9	-178.9	175.7	-180	0	111.8	S98 Q104 I106	S98-K102 VanDerWaalsContact O-CB 3.28Å; S98-K102 WeakPolarHBondContact O-CB 3.48Å; S98-K102 WeakPolarHBondContact O-CG 3.23Å; S98-K102 PolarHBondContact O-N 2.94Å; K102-Q104 VanDerWaalsContact C-N 3.3Å; K102-I106 WeakPolarHBondContact O-CD1 3.33Å; K102-I106 VanDerWaalsContact O-CG1 3.24Å; K102-I106 WeakPolarHBondContact O-CG1 3.42Å; K102-I106 PolarHBondContact O-N 3.11Å; K102-I106 VanDerWaalsContact O-N 3.13Å
103	L	26	Very low	29.6	Very low	50 Å²	50	100.4 Å²	100.4	26%	0.262	52%	0.521	S	S	.	.	H	α-helix	trans	-74.9	-18.4	173.7	-78	163.2	0	0	0	113	C99 L100 S101 I106 M107 F111	C99-L103 WeakPolarHBondContact O-CB 3.45Å; C99-L103 WeakPolarHBondContact O-CD1 3.32Å; C99-L103 WeakPolarHBondContact O-CG 3.48Å; C99-L103 PolarHBondContact O-N 2.99Å; L100-L103 CarbonylContact O-C 3.6Å; L100-L103 WeakPolarHBondContact O-CB 3.34Å; L100-L103 PolarHBondContact O-N 3.35Å; S101-L103 PolarHBondContact O-N 3.34Å; L103-I106 CarbonylContact O-C 3.37Å; L103-I106 PolarHBondContact O-N 2.81Å; L103-M107 PolarHBondContact O-N 3.09Å; L103-F111 HydrophobicContact CD2-CB 4.4Å; L103-F111 HydrophobicContact CD2-CD2 4.23Å
104	Q	30.6	Very low	29	Very low	132 Å²	132	104 Å²	104	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-77.7	-32.9	174	-143.8	164.1	-7.5	0	0	111.2	L100 S101 K102 I106 M107	L100-Q104 PolarHBondContact O-N 3Å; S101-Q104 WeakPolarHBondContact O-CB 3.44Å; S101-Q104 PolarHBondContact O-N 2.92Å; S101-Q104 VanDerWaalsContact O-N 3.1Å; K102-Q104 VanDerWaalsContact C-N 3.3Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-M107 WeakPolarHBondContact O-CE 3.48Å; Q104-M107 WeakPolarHBondContact O-CG 3.48Å; Q104-M107 PolarHBondContact O-N 3.11Å
105	D	33.6	Very low	28.6	Very low	150 Å²	150	101.1 Å²	101.1	80%	0.802	52%	0.524	S	S	*	.	H	α-helix	trans	-73.2	-28.1	166.8	-72.3	-24.8	0	0	0	112	S101 M107	S101-D105 PolarHBondContact O-N 3.25Å; D105-M107 VanDerWaalsContact C-N 3.27Å; D105-M107 PolarHBondContact O-N 3.01Å
106	I	30.8	Very low	28.3	Very low	88 Å²	88	98.6 Å²	98.6	45%	0.451	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	42.6	172.6	-50.3	162.2	0	0	0	109.6	K102 L103 Q104 S108 Y109	K102-I106 WeakPolarHBondContact O-CD1 3.33Å; K102-I106 VanDerWaalsContact O-CG1 3.24Å; K102-I106 WeakPolarHBondContact O-CG1 3.42Å; K102-I106 PolarHBondContact O-N 3.11Å; K102-I106 VanDerWaalsContact O-N 3.13Å; L103-I106 CarbonylContact O-C 3.37Å; L103-I106 PolarHBondContact O-N 2.81Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 3.1Å; I106-Y109 PolarHBondContact O-N 2.7Å
107	M	26.8	Very low	28.3	Very low	157 Å²	157	99.5 Å²	99.5	77%	0.773	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-0.7	170.4	-95.3	-169.6	-57.9	0	0	113.5	L103 Q104 D105	L103-M107 PolarHBondContact O-N 3.09Å; Q104-M107 WeakPolarHBondContact O-CE 3.48Å; Q104-M107 WeakPolarHBondContact O-CG 3.48Å; Q104-M107 PolarHBondContact O-N 3.11Å; D105-M107 VanDerWaalsContact C-N 3.27Å; D105-M107 PolarHBondContact O-N 3.01Å
108	S	30.3	Very low	28.2	Very low	114 Å²	114	96.6 Å²	96.6	80%	0.797	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.4	174.2	-32.6	0	0	0	0	115	I106	I106-S108 PolarHBondContact O-N 3.1Å
109	Y	22.8	Very low	27.9	Very low	174 Å²	174	96.6 Å²	96.6	68%	0.682	50%	0.498	S	S	*	.	S	Bend	trans	-116.8	94.4	177.1	-137.7	-93.5	0	0	0	110.6	I106 F111	I106-Y109 PolarHBondContact O-N 2.7Å; Y109-F111 PolarHBondContact O-N 2.96Å
110	R	22.7	Very low	27.9	Very low	231 Å²	231	101.2 Å²	101.2	87%	0.872	51%	0.513	S	S	*	.			trans	-53.9	94.6	175.6	-65.3	178.7	179.4	-175.6	-0.5	110.7	T112	R110-T112 VanDerWaalsContact C-N 3.26Å; R110-T112 PolarHBondContact O-N 2.93Å; R110-T112 VanDerWaalsContact O-N 3.12Å
111	F	22.9	Very low	27.9	Very low	154 Å²	154	99.1 Å²	99.1	68%	0.675	51%	0.505	S	S	*	.			trans	-79	82.6	158.8	-113.5	-84.9	0	0	0	107.9	L103 Y109 C113	L103-F111 HydrophobicContact CD2-CB 4.4Å; L103-F111 HydrophobicContact CD2-CD2 4.23Å; Y109-F111 PolarHBondContact O-N 2.96Å; F111-C113 PolarHBondContact O-N 3.33Å; F111-C113 VanDerWaalsContact O-N 3.17Å
112	T	24.2	Very low	27.7	Very low	95 Å²	95	103.2 Å²	103.2	58%	0.583	52%	0.515	S	S	*	.			trans	-73.9	99.7	159.7	48.3	0	0	0	0	106.9	R110 D114	R110-T112 VanDerWaalsContact C-N 3.26Å; R110-T112 PolarHBondContact O-N 2.93Å; R110-T112 VanDerWaalsContact O-N 3.12Å; T112-D114 PolarHBondContact O-N 3.23Å; T112-D114 PolarHBondContact OG1-OD2 3.37Å
113	C	25.4	Very low	27.6	Very low	55 Å²	55	96.9 Å²	96.9	37%	0.372	49%	0.488	S	S	.	.			trans	-70.4	70	162.7	-84.3	0	0	0	0	108.1	F111 A115 K152	F111-C113 PolarHBondContact O-N 3.33Å; F111-C113 VanDerWaalsContact O-N 3.17Å; C113-A115 PolarHBondContact O-N 2.78Å; C113-A115 VanDerWaalsContact O-N 3.1Å; C113-K152 WeakPolarHBondContact O-CE 3.4Å; C113-K152 PolarHBondContact O-NZ 3.35Å
114	D	25.8	Very low	27.8	Very low	105 Å²	105	97.5 Å²	97.5	56%	0.561	49%	0.492	S	S	*	.			trans	-72.6	98.7	170.7	-72	-30.9	0	0	0	107.4	T112	T112-D114 PolarHBondContact O-N 3.23Å; T112-D114 PolarHBondContact OG1-OD2 3.37Å
115	A	29.3	Very low	28	Very low	20 Å²	20	94.3 Å²	94.3	17%	0.165	47%	0.474	C	S	.	.			trans	-142.8	142.2	178.7	0	0	0	0	0	111.8	C113 K152 N156	C113-A115 PolarHBondContact O-N 2.78Å; C113-A115 VanDerWaalsContact O-N 3.1Å; A115-K152 VanDerWaalsContact O-CE 3.25Å; A115-K152 WeakPolarHBondContact O-CE 3.34Å; A115-N156 HydrophobicContact CB-CB 4.43Å; A115-N156 WeakPolarHBondContact CB-ND2 3.28Å; A115-N156 WeakPolarHBondContact CB-OD1 3.19Å
116	P	28	Very low	27.9	Very low	30 Å²	30	88.9 Å²	88.9	20%	0.195	44%	0.443	C	S	.	.			trans	-76.1	145.5	-171	27.9	-32	0	0	0	111.7	F118 V190 F192	P116-F118 VanDerWaalsContact C-N 3.33Å; P116-F118 HydrophobicContact CG-CD2 4.31Å; P116-F118 PolarHBondContact O-N 3.26Å; P116-V190 HydrophobicContact CB-CB 4.16Å; P116-V190 HydrophobicContact CB-CG1 3.96Å; P116-V190 HydrophobicContact CB-CG2 4.03Å; P116-F192 HydrophobicContact CB-CD2 4.21Å; P116-F192 HydrophobicContact CG-CD2 4.1Å; P116-F192 HydrophobicContact CG-CE2 4.31Å
117	P	31.2	Very low	27.9	Very low	67 Å²	67	84.9 Å²	84.9	44%	0.435	42%	0.423	S	S	.	.			trans	-61.6	91.2	172.3	25.4	-38.1	0	0	0	111	V190	P117-V190 HydrophobicContact CG-CG2 3.2Å
118	F	29.5	Very low	28.4	Very low	37 Å²	37	84.8 Å²	84.8	16%	0.162	42%	0.421	C	S	.	.			trans	-88.1	-8.5	171	-117.2	-91	0	0	0	112.7	P116 Q120 A121 F126 V159 L186 I188	P116-F118 VanDerWaalsContact C-N 3.33Å; P116-F118 HydrophobicContact CG-CD2 4.31Å; P116-F118 PolarHBondContact O-N 3.26Å; F118-Q120 PolarHBondContact O-N 3.47Å; F118-Q120 VanDerWaalsContact O-N 3.1Å; F118-A121 HydrophobicContact CD1-CB 3.72Å; F118-A121 HydrophobicContact CE1-CB 3.98Å; F118-A121 PolarHBondContact O-N 3.43Å; F118-F126 HydrophobicContact CE1-CE2 4.2Å; F118-F126 HydrophobicContact CE1-CZ 4.37Å; F118-V159 HydrophobicContact CB-CG2 3.57Å; F118-V159 HydrophobicContact CD1-CG2 3.74Å; F118-V159 HydrophobicContact CD2-CG1 4.35Å; F118-V159 HydrophobicContact CD2-CG2 3.5Å; F118-V159 VanDerWaalsContact CD2-CG2 3.5Å; F118-V159 HydrophobicContact CE1-CG2 4.27Å; F118-V159 HydrophobicContact CE2-CG1 4.19Å; F118-V159 HydrophobicContact CE2-CG2 4.05Å; F118-V159 HydrophobicContact CG-CG2 3.31Å; F118-V159 HydrophobicContact CZ-CG2 4.41Å; F118-L186 HydrophobicContact CE1-CD2 4.26Å; F118-L186 HydrophobicContact CZ-CD1 4.05Å; F118-L186 HydrophobicContact CZ-CD2 4.47Å; F118-I188 HydrophobicContact CD1-CD1 4.16Å; F118-I188 HydrophobicContact CD2-CD1 3.67Å; F118-I188 HydrophobicContact CE1-CD1 3.88Å; F118-I188 HydrophobicContact CE2-CD1 3.37Å; F118-I188 HydrophobicContact CG-CD1 4.07Å; F118-I188 HydrophobicContact CZ-CD1 3.48Å; F118-I188 VanDerWaalsContact CZ-CD1 3.48Å
119	V	27.2	Very low	28.7	Very low	49 Å²	49	82.8 Å²	82.8	30%	0.297	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	-178.6	-169	0	0	0	0	111.4	E144 S155	V119-E144 HydrophobicContact CG1-CG 4.13Å; V119-E144 WeakPolarHBondContact CG1-OE1 3.12Å; V119-S155 WeakPolarHBondContact CG2-OG 3.47Å
120	Q	29.2	Very low	29.8	Very low	163 Å²	163	79.2 Å²	79.2	76%	0.762	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.7	176.3	-90.2	167.2	-19.2	0	0	115.5	F118 K122	F118-Q120 PolarHBondContact O-N 3.47Å; F118-Q120 VanDerWaalsContact O-N 3.1Å; Q120-K122 PolarHBondContact O-N 3.21Å
121	A	27.8	Very low	30.8	Very low	16 Å²	16	70.5 Å²	70.5	13%	0.132	38%	0.375	C	S	.	.	S	Bend	trans	-74.7	85.8	167.7	0	0	0	0	0	106.9	F118 V123 L186 I188	F118-A121 HydrophobicContact CD1-CB 3.72Å; F118-A121 HydrophobicContact CE1-CB 3.98Å; F118-A121 PolarHBondContact O-N 3.43Å; A121-V123 PolarHBondContact O-N 3.2Å; A121-L186 HydrophobicContact CB-CD2 4.04Å; A121-I188 HydrophobicContact CB-CD1 4.36Å
122	K	27.5	Very low	31.7	Very low	143 Å²	143	64.8 Å²	64.8	62%	0.622	35%	0.349	S	S	*	.			trans	-44.5	129.3	-176.5	-72.9	-168.3	179.2	-173.2	0	110.1	Q120 D124 Y125	Q120-K122 PolarHBondContact O-N 3.21Å; K122-D124 HydrophobicContact CB-CB 4.19Å; K122-D124 WeakPolarHBondContact CD-OD2 3.17Å; K122-D124 PolarHBondContact O-N 3.25Å; K122-Y125 WeakPolarHBondContact O-CB 3.4Å; K122-Y125 PolarHBondContact O-N 3.28Å
123	V	28.2	Very low	32.6	Very low	4 Å²	4	62 Å²	62	2%	0.024	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-41	-34.6	172	170.6	0	0	0	0	113	A121 Y125 F126 V127 Q133 L136 N137 F140	A121-V123 PolarHBondContact O-N 3.2Å; V123-Y125 PolarHBondContact O-N 3.46Å; V123-F126 PolarHBondContact O-N 3.27Å; V123-V127 PolarHBondContact O-N 3.02Å; V123-Q133 HydrophobicContact CG1-CB 4.18Å; V123-Q133 HydrophobicContact CG1-CG 4.3Å; V123-L136 HydrophobicContact CB-CB 4.06Å; V123-L136 HydrophobicContact CG1-CB 3.22Å; V123-L136 HydrophobicContact CG1-CD1 3.59Å; V123-L136 HydrophobicContact CG1-CG 4.02Å; V123-L136 HydrophobicContact CG2-CB 3.6Å; V123-N137 WeakPolarHBondContact CG2-OD1 3.41Å; V123-F140 HydrophobicContact CG2-CD2 3.36Å; V123-F140 HydrophobicContact CG2-CE2 3.34Å
124	D	30.5	Very low	33.7	Very low	64 Å²	64	63.2 Å²	63.2	34%	0.342	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-43.7	-27.1	175.3	-50	-13.5	0	0	0	113.7	K122 Q133	K122-D124 HydrophobicContact CB-CB 4.19Å; K122-D124 WeakPolarHBondContact CD-OD2 3.17Å; K122-D124 PolarHBondContact O-N 3.25Å; D124-Q133 PolarHBondContact O-NE2 3.08Å
125	Y	34	Very low	34.6	Very low	65 Å²	65	63.8 Å²	63.8	26%	0.255	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-78.1	-41.4	-176	179.9	-90.9	0	0	0	116	K122 V123 F183 P184 L186	K122-Y125 WeakPolarHBondContact O-CB 3.4Å; K122-Y125 PolarHBondContact O-N 3.28Å; V123-Y125 PolarHBondContact O-N 3.46Å; Y125-F183 HydrophobicContact CE1-CD1 4.19Å; Y125-F183 VanDerWaalsContact OH-CB 3.32Å; Y125-F183 WeakPolarHBondContact OH-CB 3.49Å; Y125-P184 HydrophobicContact CE2-CB 3.99Å; Y125-P184 HydrophobicContact CE2-CG 4.18Å; Y125-P184 VanDerWaalsContact CE2-O 3.26Å; Y125-P184 WeakPolarHBondContact CE2-O 3.47Å; Y125-P184 PolarHBondContact OH-O 3.43Å; Y125-L186 HydrophobicContact CE1-CD2 4.22Å
126	F	31	Very low	35.4	Very low	35 Å²	35	62.9 Å²	62.9	15%	0.154	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-19.6	-175.5	-72.3	-73.6	0	0	0	112.8	F118 V123 T162	F118-F126 HydrophobicContact CE1-CE2 4.2Å; F118-F126 HydrophobicContact CE1-CZ 4.37Å; V123-F126 PolarHBondContact O-N 3.27Å; F126-T162 HydrophobicContact CD1-CG2 3.68Å; F126-T162 HydrophobicContact CE1-CG2 3.64Å; F126-T162 HydrophobicContact CG-CG2 4.17Å; F126-T162 HydrophobicContact CZ-CG2 4.11Å
127	V	31.3	Very low	36.4	Very low	4 Å²	4	64.3 Å²	64.3	2%	0.024	33%	0.328	C	S	.	.			trans	-128.4	106.9	-169.5	174.8	0	0	0	0	106.3	V123 D129 W132 Q133 L136	V123-V127 PolarHBondContact O-N 3.02Å; V127-D129 VanDerWaalsContact C-N 3.28Å; V127-D129 HydrophobicContact CG1-CB 4.14Å; V127-D129 VanDerWaalsContact CG1-O 3.26Å; V127-D129 WeakPolarHBondContact CG1-O 3.39Å; V127-W132 HydrophobicContact CB-CB 4.37Å; V127-W132 HydrophobicContact CG1-CB 3.04Å; V127-W132 HydrophobicContact CG1-CG 4Å; V127-Q133 HydrophobicContact CB-CG 4.28Å; V127-Q133 HydrophobicContact CG1-CG 4.13Å; V127-Q133 WeakPolarHBondContact O-CG 2.97Å; V127-Q133 PolarHBondContact O-NE2 3.28Å; V127-L136 HydrophobicContact CG2-CD1 3.71Å
128	Q	37.1	Very low	37.3	Very low	155 Å²	155	65.9 Å²	65.9	72%	0.724	33%	0.332	S	S	*	.			trans	-80.1	-14.2	174.3	-66.4	-163.4	-11	0	0	112.9	T130	Q128-T130 PolarHBondContact O-N 3.29Å
129	D	37.7	Very low	38	Very low	72 Å²	72	65.1 Å²	65.1	39%	0.385	33%	0.33	S	S	.	.			trans	-73.7	112.1	173.1	179	-46.5	0	0	0	109.7	V127 A131 W132 Q133	V127-D129 VanDerWaalsContact C-N 3.28Å; V127-D129 HydrophobicContact CG1-CB 4.14Å; V127-D129 VanDerWaalsContact CG1-O 3.26Å; V127-D129 WeakPolarHBondContact CG1-O 3.39Å; D129-A131 VanDerWaalsContact C-N 3.27Å; D129-A131 PolarHBondContact O-N 3.29Å; D129-A131 WeakPolarHBondContact OD1-CA 3.38Å; D129-A131 VanDerWaalsContact OD1-CB 3.26Å; D129-A131 WeakPolarHBondContact OD1-CB 3.25Å; D129-A131 PolarHBondContact OD1-N 3.49Å; D129-W132 HydrophobicContact CB-CB 4.05Å; D129-W132 HydrophobicContact CB-CG 4.39Å; D129-W132 WeakPolarHBondContact O-CB 3.03Å; D129-W132 PolarHBondContact O-N 3.26Å; D129-W132 VanDerWaalsContact O-N 3.12Å; D129-W132 PolarHBondContact OD1-N 3.48Å; D129-Q133 WeakPolarHBondContact O-CG 3.46Å; D129-Q133 PolarHBondContact O-N 2.82Å
130	T	45.5	Very low	39	Very low	99 Å²	99	63.8 Å²	63.8	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-34.8	-179.3	43.4	0	0	0	0	112.9	Q128 Q133 T134	Q128-T130 PolarHBondContact O-N 3.29Å; T130-Q133 WeakPolarHBondContact O-CB 3.09Å; T130-Q133 PolarHBondContact O-N 2.97Å; T130-T134 PolarHBondContact O-N 2.92Å; T130-T134 PolarHBondContact O-OG1 2.77Å; T130-T134 VanDerWaalsContact O-OG1 3.09Å
131	A	43.4	Very low	39.8	Very low	48 Å²	48	59.5 Å²	59.5	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-38.6	176.9	0	0	0	0	0	111.3	D129 R135	D129-A131 VanDerWaalsContact C-N 3.27Å; D129-A131 PolarHBondContact O-N 3.29Å; D129-A131 WeakPolarHBondContact OD1-CA 3.38Å; D129-A131 VanDerWaalsContact OD1-CB 3.26Å; D129-A131 WeakPolarHBondContact OD1-CB 3.25Å; D129-A131 PolarHBondContact OD1-N 3.49Å; A131-R135 WeakPolarHBondContact O-CD 3.29Å; A131-R135 WeakPolarHBondContact O-CG 3.29Å; A131-R135 PolarHBondContact O-N 2.93Å; A131-R135 VanDerWaalsContact O-N 3.16Å
132	W	41.2	Very low	40.6	Very low	35 Å²	35	62 Å²	62	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-36	171	-90.4	107.7	0	0	0	112.7	A74 L77 V127 D129 R135 L136	A74-W132 VanDerWaalsContact CA-CZ2 3.4Å; A74-W132 HydrophobicContact CB-CH2 4.08Å; A74-W132 HydrophobicContact CB-CZ2 3.35Å; L77-W132 HydrophobicContact CB-CE3 4.49Å; L77-W132 HydrophobicContact CB-CH2 3.29Å; L77-W132 HydrophobicContact CB-CZ3 3.26Å; L77-W132 HydrophobicContact CD1-CE3 3.7Å; L77-W132 HydrophobicContact CD1-CH2 3.9Å; L77-W132 HydrophobicContact CD1-CZ3 3.2Å; L77-W132 HydrophobicContact CD2-CZ3 3.93Å; L77-W132 HydrophobicContact CG-CE3 4.49Å; L77-W132 HydrophobicContact CG-CH2 4.11Å; L77-W132 HydrophobicContact CG-CZ3 3.59Å; V127-W132 HydrophobicContact CB-CB 4.37Å; V127-W132 HydrophobicContact CG1-CB 3.04Å; V127-W132 HydrophobicContact CG1-CG 4Å; D129-W132 HydrophobicContact CB-CB 4.05Å; D129-W132 HydrophobicContact CB-CG 4.39Å; D129-W132 WeakPolarHBondContact O-CB 3.03Å; D129-W132 PolarHBondContact O-N 3.26Å; D129-W132 VanDerWaalsContact O-N 3.12Å; D129-W132 PolarHBondContact OD1-N 3.48Å; W132-R135 PolarHBondContact O-N 3.11Å; W132-L136 WeakPolarHBondContact O-CB 2.86Å; W132-L136 PolarHBondContact O-N 3.06Å
133	Q	44	Very low	41.2	Very low	36 Å²	36	55.3 Å²	55.3	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-50.4	175.5	-69.7	173.1	-7.5	0	0	111.4	V123 D124 V127 D129 T130 R135 L136 N137	V123-Q133 HydrophobicContact CG1-CB 4.18Å; V123-Q133 HydrophobicContact CG1-CG 4.3Å; D124-Q133 PolarHBondContact O-NE2 3.08Å; V127-Q133 HydrophobicContact CB-CG 4.28Å; V127-Q133 HydrophobicContact CG1-CG 4.13Å; V127-Q133 WeakPolarHBondContact O-CG 2.97Å; V127-Q133 PolarHBondContact O-NE2 3.28Å; D129-Q133 WeakPolarHBondContact O-CG 3.46Å; D129-Q133 PolarHBondContact O-N 2.82Å; T130-Q133 WeakPolarHBondContact O-CB 3.09Å; T130-Q133 PolarHBondContact O-N 2.97Å; Q133-R135 VanDerWaalsContact C-N 3.35Å; Q133-R135 PolarHBondContact O-N 3.38Å; Q133-L136 PolarHBondContact O-N 3.01Å; Q133-N137 WeakPolarHBondContact O-CB 3.26Å; Q133-N137 PolarHBondContact O-N 2.75Å; Q133-N137 PolarHBondContact O-ND2 3.14Å
134	T	49	Very low	42	Very low	80 Å²	80	60.7 Å²	60.7	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-55.8	-49.3	175.6	-55.3	0	0	0	0	111.2	T130 L136 N137 D138	T130-T134 PolarHBondContact O-N 2.92Å; T130-T134 PolarHBondContact O-OG1 2.77Å; T130-T134 VanDerWaalsContact O-OG1 3.09Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 2.88Å; T134-N137 PolarHBondContact O-N 2.8Å; T134-D138 WeakPolarHBondContact O-CB 3.34Å; T134-D138 PolarHBondContact O-N 3.34Å
135	R	44.3	Very low	42.6	Very low	117 Å²	117	64 Å²	64	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-36.2	-179	-73.1	160.8	174	-175.8	8.7	113.7	K81 A131 W132 Q133 L139	K81-R135 VanDerWaalsContact NZ-CD 3.3Å; A131-R135 WeakPolarHBondContact O-CD 3.29Å; A131-R135 WeakPolarHBondContact O-CG 3.29Å; A131-R135 PolarHBondContact O-N 2.93Å; A131-R135 VanDerWaalsContact O-N 3.16Å; W132-R135 PolarHBondContact O-N 3.11Å; Q133-R135 VanDerWaalsContact C-N 3.35Å; Q133-R135 PolarHBondContact O-N 3.38Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 2.76Å; R135-L139 VanDerWaalsContact O-N 3.08Å
136	L	44.9	Very low	43	Very low	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-80.1	-35.9	179.5	-93.8	167.6	0	0	0	111.6	L77 V123 V127 W132 Q133 T134 L139 F140 F158	L77-L136 HydrophobicContact CD1-CD1 4.05Å; L77-L136 HydrophobicContact CD1-CD2 4.26Å; L77-L136 HydrophobicContact CD1-CG 4.26Å; L77-L136 HydrophobicContact CD2-CD2 3.67Å; L77-L136 HydrophobicContact CD2-CG 4.12Å; V123-L136 HydrophobicContact CB-CB 4.06Å; V123-L136 HydrophobicContact CG1-CB 3.22Å; V123-L136 HydrophobicContact CG1-CD1 3.59Å; V123-L136 HydrophobicContact CG1-CG 4.02Å; V123-L136 HydrophobicContact CG2-CB 3.6Å; V127-L136 HydrophobicContact CG2-CD1 3.71Å; W132-L136 WeakPolarHBondContact O-CB 2.86Å; W132-L136 PolarHBondContact O-N 3.06Å; Q133-L136 PolarHBondContact O-N 3.01Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 2.88Å; L136-L139 HydrophobicContact CD2-CD2 4.28Å; L136-L139 WeakPolarHBondContact O-CB 3.16Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-F140 HydrophobicContact CD2-CE2 4.47Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.42Å; L136-F158 HydrophobicContact CD1-CE2 4.29Å; L136-F158 HydrophobicContact CD1-CZ 4.03Å; L136-F158 HydrophobicContact CD2-CD2 4.17Å; L136-F158 HydrophobicContact CD2-CE2 3.52Å; L136-F158 HydrophobicContact CD2-CZ 3.81Å
137	N	50.5	Low	43.6	Very low	60 Å²	60	64.4 Å²	64.4	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-45.5	169.6	-74.5	-25.7	0	0	0	110.4	V123 Q133 T134 L139 F140 T141	V123-N137 WeakPolarHBondContact CG2-OD1 3.41Å; Q133-N137 WeakPolarHBondContact O-CB 3.26Å; Q133-N137 PolarHBondContact O-N 2.75Å; Q133-N137 PolarHBondContact O-ND2 3.14Å; T134-N137 PolarHBondContact O-N 2.8Å; N137-L139 VanDerWaalsContact C-N 3.27Å; N137-L139 PolarHBondContact O-N 3.41Å; N137-F140 PolarHBondContact O-N 2.67Å; N137-F140 VanDerWaalsContact O-N 3.12Å; N137-T141 WeakPolarHBondContact O-CB 3Å; N137-T141 PolarHBondContact O-N 3.22Å; N137-T141 PolarHBondContact O-OG1 2.76Å; N137-T141 VanDerWaalsContact O-OG1 3.09Å
138	D	48.6	Very low	44.3	Very low	100 Å²	100	69.2 Å²	69.2	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-58.4	-40.3	174	-66.4	-21.4	0	0	0	111.7	T134 F142	T134-D138 WeakPolarHBondContact O-CB 3.34Å; T134-D138 PolarHBondContact O-N 3.34Å; D138-F142 WeakPolarHBondContact O-CB 3.31Å; D138-F142 PolarHBondContact O-N 2.91Å
139	L	45	Very low	44.7	Very low	22 Å²	22	69.2 Å²	69.2	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-48.9	173.8	-177.7	67	0	0	0	110.9	L77 L84 R135 L136 N137 F142 V143 M154	L77-L139 HydrophobicContact CD2-CD2 4.3Å; L84-L139 HydrophobicContact CD1-CD1 3.69Å; L84-L139 HydrophobicContact CD2-CD1 4.29Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 2.76Å; R135-L139 VanDerWaalsContact O-N 3.08Å; L136-L139 HydrophobicContact CD2-CD2 4.28Å; L136-L139 WeakPolarHBondContact O-CB 3.16Å; L136-L139 PolarHBondContact O-N 3.44Å; N137-L139 VanDerWaalsContact C-N 3.27Å; N137-L139 PolarHBondContact O-N 3.41Å; L139-F142 WeakPolarHBondContact O-CB 3.45Å; L139-F142 PolarHBondContact O-N 2.67Å; L139-V143 HydrophobicContact CD1-CG2 4.22Å; L139-V143 HydrophobicContact CG-CG2 4.31Å; L139-V143 VanDerWaalsContact O-CB 3.24Å; L139-V143 WeakPolarHBondContact O-CB 3.17Å; L139-V143 WeakPolarHBondContact O-CG2 3.31Å; L139-V143 PolarHBondContact O-N 3.49Å; L139-M154 HydrophobicContact CD1-CE 4.15Å
140	F	47.5	Very low	44.9	Very low	21 Å²	21	66.4 Å²	66.4	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-43.5	179.6	-77.7	-53.4	0	0	0	112.3	V123 L136 N137 F142 V143 E144 F158	V123-F140 HydrophobicContact CG2-CD2 3.36Å; V123-F140 HydrophobicContact CG2-CE2 3.34Å; L136-F140 HydrophobicContact CD2-CE2 4.47Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.4Å; L136-F140 PolarHBondContact O-N 3.42Å; N137-F140 PolarHBondContact O-N 2.67Å; N137-F140 VanDerWaalsContact O-N 3.12Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F140-F142 PolarHBondContact O-N 3.41Å; F140-V143 CarbonylContact O-C 3.54Å; F140-V143 WeakPolarHBondContact O-CA 3.14Å; F140-V143 WeakPolarHBondContact O-CB 3.29Å; F140-V143 PolarHBondContact O-N 3.48Å; F140-V143 VanDerWaalsContact O-N 3.09Å; F140-E144 WeakPolarHBondContact O-CB 3.37Å; F140-E144 WeakPolarHBondContact O-CG 3.05Å; F140-E144 PolarHBondContact O-N 3.27Å; F140-F158 AromaticContact CZ-CD1 3.93Å; F140-F158 HydrophobicContact CZ-CD1 3.93Å; F140-F158 HydrophobicContact CZ-CE1 4.33Å; F140-F158 HydrophobicContact CZ-CG 4.27Å
141	T	48	Very low	44.9	Very low	73 Å²	73	62.3 Å²	62.3	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-40.4	173.9	-59.2	0	0	0	0	111.5	N137 V143 N145	N137-T141 WeakPolarHBondContact O-CB 3Å; N137-T141 PolarHBondContact O-N 3.22Å; N137-T141 PolarHBondContact O-OG1 2.76Å; N137-T141 VanDerWaalsContact O-OG1 3.09Å; T141-V143 VanDerWaalsContact C-N 3.31Å; T141-V143 PolarHBondContact O-N 2.83Å; T141-N145 PolarHBondContact O-N 2.8Å; T141-N145 PolarHBondContact O-ND2 2.74Å
142	F	44.1	Very low	45	Very low	67 Å²	67	64.1 Å²	64.1	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-43.6	171.7	171	-107.7	0	0	0	111.3	L84 K89 D138 L139 F140 N145 I146	L84-F142 HydrophobicContact CD2-CE1 4.23Å; K89-F142 HydrophobicContact CB-CZ 4.41Å; K89-F142 HydrophobicContact CD-CE1 4.21Å; K89-F142 HydrophobicContact CD-CE2 3.91Å; K89-F142 HydrophobicContact CD-CZ 3.48Å; K89-F142 VanDerWaalsContact CD-CZ 3.48Å; K89-F142 HydrophobicContact CG-CE1 4.24Å; K89-F142 HydrophobicContact CG-CZ 3.79Å; D138-F142 WeakPolarHBondContact O-CB 3.31Å; D138-F142 PolarHBondContact O-N 2.91Å; L139-F142 WeakPolarHBondContact O-CB 3.45Å; L139-F142 PolarHBondContact O-N 2.67Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F140-F142 PolarHBondContact O-N 3.41Å; F142-N145 PolarHBondContact O-N 3.41Å; F142-I146 HydrophobicContact CD1-CD1 3.8Å; F142-I146 HydrophobicContact CE1-CD1 3.3Å; F142-I146 HydrophobicContact CE1-CG1 4.4Å; F142-I146 HydrophobicContact CE2-CD1 4.2Å; F142-I146 HydrophobicContact CG-CD1 4.43Å; F142-I146 HydrophobicContact CZ-CD1 3.52Å; F142-I146 HydrophobicContact CZ-CG1 4.23Å; F142-I146 WeakPolarHBondContact O-CG1 3.45Å; F142-I146 PolarHBondContact O-N 3.17Å
143	V	40.3	Very low	45.1	Very low	4 Å²	4	64.5 Å²	64.5	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-70	-38.4	-177.6	169.9	0	0	0	0	112.6	L139 F140 T141 N145 I146 A151 M154	L139-V143 HydrophobicContact CD1-CG2 4.22Å; L139-V143 HydrophobicContact CG-CG2 4.31Å; L139-V143 VanDerWaalsContact O-CB 3.24Å; L139-V143 WeakPolarHBondContact O-CB 3.17Å; L139-V143 WeakPolarHBondContact O-CG2 3.31Å; L139-V143 PolarHBondContact O-N 3.49Å; F140-V143 CarbonylContact O-C 3.54Å; F140-V143 WeakPolarHBondContact O-CA 3.14Å; F140-V143 WeakPolarHBondContact O-CB 3.29Å; F140-V143 PolarHBondContact O-N 3.48Å; F140-V143 VanDerWaalsContact O-N 3.09Å; T141-V143 VanDerWaalsContact C-N 3.31Å; T141-V143 PolarHBondContact O-N 2.83Å; V143-N145 PolarHBondContact O-N 3.12Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 3.32Å; V143-I146 VanDerWaalsContact O-N 3.11Å; V143-A151 HydrophobicContact CG1-CB 3.79Å; V143-A151 VanDerWaalsContact O-CB 3.25Å; V143-A151 WeakPolarHBondContact O-CB 3.46Å; V143-M154 HydrophobicContact CG1-CB 3.97Å; V143-M154 HydrophobicContact CG1-SD 4.25Å; V143-M154 HydrophobicContact CG2-CB 4.38Å; V143-M154 HydrophobicContact CG2-CE 3.49Å; V143-M154 VanDerWaalsContact CG2-CE 3.49Å; V143-M154 HydrophobicContact CG2-SD 3.52Å; V143-M154 VanDerWaalsContact CG2-SD 3.52Å
144	E	44.9	Very low	45.2	Very low	117 Å²	117	64 Å²	64	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-31	172.6	-76.8	178.2	155.5	0	0	112.4	V119 F140 I146	V119-E144 HydrophobicContact CG1-CG 4.13Å; V119-E144 WeakPolarHBondContact CG1-OE1 3.12Å; F140-E144 WeakPolarHBondContact O-CB 3.37Å; F140-E144 WeakPolarHBondContact O-CG 3.05Å; F140-E144 PolarHBondContact O-N 3.27Å; E144-I146 VanDerWaalsContact C-N 3.3Å
145	N	43.3	Very low	45.1	Very low	134 Å²	134	60.5 Å²	60.5	72%	0.717	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.7	175.8	-71.6	-50.9	0	0	0	113.6	T141 F142 V143	T141-N145 PolarHBondContact O-N 2.8Å; T141-N145 PolarHBondContact O-ND2 2.74Å; F142-N145 PolarHBondContact O-N 3.41Å; V143-N145 PolarHBondContact O-N 3.12Å
146	I	41.7	Very low	45.1	Very low	46 Å²	46	56.7 Å²	56.7	24%	0.236	29%	0.292	C	S	.	.	S	Bend	trans	-91.7	164.2	171.2	-60.6	163	0	0	0	109.2	F142 V143 E144 V150	F142-I146 HydrophobicContact CD1-CD1 3.8Å; F142-I146 HydrophobicContact CE1-CD1 3.3Å; F142-I146 HydrophobicContact CE1-CG1 4.4Å; F142-I146 HydrophobicContact CE2-CD1 4.2Å; F142-I146 HydrophobicContact CG-CD1 4.43Å; F142-I146 HydrophobicContact CZ-CD1 3.52Å; F142-I146 HydrophobicContact CZ-CG1 4.23Å; F142-I146 WeakPolarHBondContact O-CG1 3.45Å; F142-I146 PolarHBondContact O-N 3.17Å; V143-I146 WeakPolarHBondContact O-CB 3.41Å; V143-I146 PolarHBondContact O-N 3.32Å; V143-I146 VanDerWaalsContact O-N 3.11Å; E144-I146 VanDerWaalsContact C-N 3.3Å; I146-V150 HydrophobicContact CG2-CB 3.73Å; I146-V150 HydrophobicContact CG2-CG1 3.84Å; I146-V150 HydrophobicContact CG2-CG2 4.09Å
147	D	44.6	Very low	45.2	Very low	62 Å²	62	61.6 Å²	61.6	33%	0.332	31%	0.312	S	S	.	.			trans	-37.2	124.8	169.9	-179.7	-64.4	0	0	0	111.2	R149 V150 A151	D147-R149 PolarHBondContact O-N 3.3Å; D147-R149 WeakPolarHBondContact OD1-CB 3.42Å; D147-R149 WeakPolarHBondContact OD1-CG 3.46Å; D147-R149 PolarHBondContact OD1-N 2.71Å; D147-R149 IonicContact OD1-NE 3.52Å; D147-R149 PolarHBondContact OD1-NE 2.71Å; D147-R149 VanDerWaalsContact OD1-NE 3.15Å; D147-R149 IonicContact OD1-NH2 2.88Å; D147-R149 IonicContact OD2-CZ 2.71Å; D147-R149 IonicContact OD2-NE 3.52Å; D147-R149 IonicContact OD2-NH2 3.66Å; D147-R149 PolarHBondContact OD2-NH2 3.14Å; D147-V150 HydrophobicContact CB-CG2 4.19Å; D147-V150 WeakPolarHBondContact O-CA 3.4Å; D147-V150 WeakPolarHBondContact O-CB 3.42Å; D147-V150 PolarHBondContact O-N 3.22Å; D147-A151 PolarHBondContact O-N 3.46Å; D147-A151 VanDerWaalsContact O-N 3.11Å
148	P	45.5	Very low	45.1	Very low	104 Å²	104	59.7 Å²	59.7	68%	0.675	30%	0.301	S	S	*	.	H	α-helix	trans	-53.1	-25.3	-174.2	-30.2	34.5	0	0	0	115.1	A151 K152	P148-A151 PolarHBondContact O-N 3.47Å; P148-K152 PolarHBondContact O-N 3.47Å
149	R	44.7	Very low	44.9	Very low	156 Å²	156	56.1 Å²	56.1	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-73.7	-38.4	177.4	-61.5	172.6	-77.8	-169.8	-6.7	111.7	D147 A151 C153	D147-R149 PolarHBondContact O-N 3.3Å; D147-R149 WeakPolarHBondContact OD1-CB 3.42Å; D147-R149 WeakPolarHBondContact OD1-CG 3.46Å; D147-R149 PolarHBondContact OD1-N 2.71Å; D147-R149 IonicContact OD1-NE 3.52Å; D147-R149 PolarHBondContact OD1-NE 2.71Å; D147-R149 VanDerWaalsContact OD1-NE 3.15Å; D147-R149 IonicContact OD1-NH2 2.88Å; D147-R149 IonicContact OD2-CZ 2.71Å; D147-R149 IonicContact OD2-NE 3.52Å; D147-R149 IonicContact OD2-NH2 3.66Å; D147-R149 PolarHBondContact OD2-NH2 3.14Å; R149-A151 VanDerWaalsContact C-N 3.32Å; R149-C153 PolarHBondContact O-N 2.9Å; R149-C153 VanDerWaalsContact O-N 3.11Å
150	V	42.5	Very low	45	Very low	12 Å²	12	61 Å²	61	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-41.2	172.3	-178.5	0	0	0	0	109.4	F96 I146 D147 K152 C153 M154	F96-V150 HydrophobicContact CB-CG2 3.97Å; F96-V150 HydrophobicContact CD2-CG1 3.73Å; F96-V150 HydrophobicContact CD2-CG2 4.44Å; F96-V150 HydrophobicContact CE2-CG1 4.01Å; F96-V150 HydrophobicContact CG-CG1 4.25Å; F96-V150 HydrophobicContact CG-CG2 4.22Å; I146-V150 HydrophobicContact CG2-CB 3.73Å; I146-V150 HydrophobicContact CG2-CG1 3.84Å; I146-V150 HydrophobicContact CG2-CG2 4.09Å; D147-V150 HydrophobicContact CB-CG2 4.19Å; D147-V150 WeakPolarHBondContact O-CA 3.4Å; D147-V150 WeakPolarHBondContact O-CB 3.42Å; D147-V150 PolarHBondContact O-N 3.22Å; V150-K152 VanDerWaalsContact C-N 3.34Å; V150-K152 PolarHBondContact O-N 3.47Å; V150-C153 PolarHBondContact O-N 3.01Å; V150-C153 VanDerWaalsContact O-N 3.14Å; V150-M154 HydrophobicContact CG1-CG 4.4Å; V150-M154 HydrophobicContact CG1-SD 4.16Å; V150-M154 PolarHBondContact O-N 3.33Å
151	A	45	Very low	45	Very low	13 Å²	13	60.2 Å²	60.2	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-46.5	177.9	0	0	0	0	0	113.3	V143 D147 P148 R149 S155	V143-A151 HydrophobicContact CG1-CB 3.79Å; V143-A151 VanDerWaalsContact O-CB 3.25Å; V143-A151 WeakPolarHBondContact O-CB 3.46Å; D147-A151 PolarHBondContact O-N 3.46Å; D147-A151 VanDerWaalsContact O-N 3.11Å; P148-A151 PolarHBondContact O-N 3.47Å; R149-A151 VanDerWaalsContact C-N 3.32Å; A151-S155 PolarHBondContact O-N 2.89Å; A151-S155 VanDerWaalsContact O-N 3.09Å; A151-S155 PolarHBondContact O-OG 3.34Å
152	K	45.6	Very low	44.9	Very low	87 Å²	87	57 Å²	57	38%	0.378	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-44.5	175	-164.8	178.4	-167.1	-174.6	0	112	C113 A115 P148 V150 M154 S155 N156	C113-K152 WeakPolarHBondContact O-CE 3.4Å; C113-K152 PolarHBondContact O-NZ 3.35Å; A115-K152 VanDerWaalsContact O-CE 3.25Å; A115-K152 WeakPolarHBondContact O-CE 3.34Å; P148-K152 PolarHBondContact O-N 3.47Å; V150-K152 VanDerWaalsContact C-N 3.34Å; V150-K152 PolarHBondContact O-N 3.47Å; K152-M154 PolarHBondContact O-N 3.14Å; K152-S155 PolarHBondContact O-N 3.34Å; K152-N156 PolarHBondContact O-N 2.81Å; K152-N156 PolarHBondContact O-ND2 3.26Å; K152-N156 PolarHBondContact O-OD1 3.37Å
153	C	44.4	Very low	45	Very low	43 Å²	43	58.6 Å²	58.6	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-42.5	-179.1	-163.9	0	0	0	0	112.5	F96 R149 V150 N156 Y157	F96-C153 HydrophobicContact CE1-CB 4.04Å; F96-C153 HydrophobicContact CZ-CB 4.49Å; R149-C153 PolarHBondContact O-N 2.9Å; R149-C153 VanDerWaalsContact O-N 3.11Å; V150-C153 PolarHBondContact O-N 3.01Å; V150-C153 VanDerWaalsContact O-N 3.14Å; C153-N156 WeakPolarHBondContact O-CB 3.37Å; C153-N156 PolarHBondContact O-N 3.42Å; C153-Y157 PolarHBondContact O-N 3.4Å
154	M	45.2	Very low	45.4	Very low	25 Å²	25	62.1 Å²	62.1	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.4	-71.1	-173.1	68.2	0	0	112.1	L139 V143 V150 K152 N156 Y157 F158	L139-M154 HydrophobicContact CD1-CE 4.15Å; V143-M154 HydrophobicContact CG1-CB 3.97Å; V143-M154 HydrophobicContact CG1-SD 4.25Å; V143-M154 HydrophobicContact CG2-CB 4.38Å; V143-M154 HydrophobicContact CG2-CE 3.49Å; V143-M154 VanDerWaalsContact CG2-CE 3.49Å; V143-M154 HydrophobicContact CG2-SD 3.52Å; V143-M154 VanDerWaalsContact CG2-SD 3.52Å; V150-M154 HydrophobicContact CG1-CG 4.4Å; V150-M154 HydrophobicContact CG1-SD 4.16Å; V150-M154 PolarHBondContact O-N 3.33Å; K152-M154 PolarHBondContact O-N 3.14Å; M154-N156 VanDerWaalsContact C-N 3.29Å; M154-N156 PolarHBondContact O-N 3.5Å; M154-Y157 PolarHBondContact O-N 3.11Å; M154-F158 PolarHBondContact O-N 3.38Å
155	S	46.1	Very low	45.5	Very low	6 Å²	6	56.8 Å²	56.8	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-42.1	172.6	-59.3	0	0	0	0	111.6	V119 A151 K152 F158 V159	V119-S155 WeakPolarHBondContact CG2-OG 3.47Å; A151-S155 PolarHBondContact O-N 2.89Å; A151-S155 VanDerWaalsContact O-N 3.09Å; A151-S155 PolarHBondContact O-OG 3.34Å; K152-S155 PolarHBondContact O-N 3.34Å; S155-F158 PolarHBondContact O-N 3.14Å; S155-V159 WeakPolarHBondContact O-CG2 3.4Å; S155-V159 PolarHBondContact O-N 3.28Å
156	N	44.8	Very low	45.8	Very low	37 Å²	37	52.1 Å²	52.1	20%	0.198	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-43.2	178.3	-59.7	-9.8	0	0	0	112.3	A115 K152 C153 M154 F158 V159 R160	A115-N156 HydrophobicContact CB-CB 4.43Å; A115-N156 WeakPolarHBondContact CB-ND2 3.28Å; A115-N156 WeakPolarHBondContact CB-OD1 3.19Å; K152-N156 PolarHBondContact O-N 2.81Å; K152-N156 PolarHBondContact O-ND2 3.26Å; K152-N156 PolarHBondContact O-OD1 3.37Å; C153-N156 WeakPolarHBondContact O-CB 3.37Å; C153-N156 PolarHBondContact O-N 3.42Å; M154-N156 VanDerWaalsContact C-N 3.29Å; M154-N156 PolarHBondContact O-N 3.5Å; N156-F158 VanDerWaalsContact C-N 3.28Å; N156-F158 PolarHBondContact O-N 2.71Å; N156-V159 PolarHBondContact O-N 2.99Å; N156-R160 VanDerWaalsContact O-CB 3.28Å; N156-R160 WeakPolarHBondContact O-CB 3.06Å; N156-R160 PolarHBondContact O-N 2.06Å
157	Y	47	Very low	46	Very low	105 Å²	105	50.9 Å²	50.9	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-44.3	175.5	-179.2	-92.3	0	0	0	110.4	L80 C153 M154 R160 A161	L80-Y157 HydrophobicContact CD1-CD1 4.39Å; L80-Y157 HydrophobicContact CD1-CE1 4.15Å; L80-Y157 HydrophobicContact CD2-CD1 4.49Å; L80-Y157 HydrophobicContact CD2-CE1 4.4Å; L80-Y157 HydrophobicContact CG-CE1 4.32Å; C153-Y157 PolarHBondContact O-N 3.4Å; M154-Y157 PolarHBondContact O-N 3.11Å; Y157-R160 PolarHBondContact O-N 2.85Å; Y157-A161 HydrophobicContact CE1-CB 4.41Å; Y157-A161 VanDerWaalsContact O-CB 3.24Å; Y157-A161 WeakPolarHBondContact O-CB 3.13Å; Y157-A161 PolarHBondContact O-N 3.38Å
158	F	47.6	Very low	46.3	Very low	20 Å²	20	51.1 Å²	51.1	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-48.9	177.8	-172.7	-101	0	0	0	112	L77 L136 F140 M154 S155 N156 R160 A161 T162	L77-F158 HydrophobicContact CD1-CE2 4.23Å; L136-F158 HydrophobicContact CD1-CE2 4.29Å; L136-F158 HydrophobicContact CD1-CZ 4.03Å; L136-F158 HydrophobicContact CD2-CD2 4.17Å; L136-F158 HydrophobicContact CD2-CE2 3.52Å; L136-F158 HydrophobicContact CD2-CZ 3.81Å; F140-F158 AromaticContact CZ-CD1 3.93Å; F140-F158 HydrophobicContact CZ-CD1 3.93Å; F140-F158 HydrophobicContact CZ-CE1 4.33Å; F140-F158 HydrophobicContact CZ-CG 4.27Å; M154-F158 PolarHBondContact O-N 3.38Å; S155-F158 PolarHBondContact O-N 3.14Å; N156-F158 VanDerWaalsContact C-N 3.28Å; N156-F158 PolarHBondContact O-N 2.71Å; F158-R160 VanDerWaalsContact C-N 3.31Å; F158-R160 PolarHBondContact O-N 3.41Å; F158-A161 PolarHBondContact O-N 2.94Å; F158-T162 WeakPolarHBondContact O-CB 3.41Å; F158-T162 PolarHBondContact O-N 3.37Å; F158-T162 PolarHBondContact O-OG1 3.29Å; F158-T162 VanDerWaalsContact O-OG1 3.05Å
159	V	46.4	Very low	46.3	Very low	25 Å²	25	46.2 Å²	46.2	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-46.3	176.5	171.6	0	0	0	0	111	F118 S155 N156 T162 L163	F118-V159 HydrophobicContact CB-CG2 3.57Å; F118-V159 HydrophobicContact CD1-CG2 3.74Å; F118-V159 HydrophobicContact CD2-CG1 4.35Å; F118-V159 HydrophobicContact CD2-CG2 3.5Å; F118-V159 VanDerWaalsContact CD2-CG2 3.5Å; F118-V159 HydrophobicContact CE1-CG2 4.27Å; F118-V159 HydrophobicContact CE2-CG1 4.19Å; F118-V159 HydrophobicContact CE2-CG2 4.05Å; F118-V159 HydrophobicContact CG-CG2 3.31Å; F118-V159 HydrophobicContact CZ-CG2 4.41Å; S155-V159 WeakPolarHBondContact O-CG2 3.4Å; S155-V159 PolarHBondContact O-N 3.28Å; N156-V159 PolarHBondContact O-N 2.99Å; V159-T162 PolarHBondContact O-N 2.86Å; V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CB 3.44Å; V159-L163 VanDerWaalsContact O-CG 3.29Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.25Å
160	R	45.7	Very low	46.4	Very low	123 Å²	123	40.5 Å²	40.5	46%	0.464	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-46.5	177.5	-176.3	177.3	177.4	162.7	6.6	111.1	N156 Y157 F158 T162 L163 E164 H201	N156-R160 VanDerWaalsContact O-CB 3.28Å; N156-R160 WeakPolarHBondContact O-CB 3.06Å; N156-R160 PolarHBondContact O-N 2.06Å; Y157-R160 PolarHBondContact O-N 2.85Å; F158-R160 VanDerWaalsContact C-N 3.31Å; F158-R160 PolarHBondContact O-N 3.41Å; R160-T162 VanDerWaalsContact C-N 3.34Å; R160-T162 PolarHBondContact O-N 3.24Å; R160-L163 PolarHBondContact O-N 3.26Å; R160-E164 HydrophobicContact CG-CG 4.31Å; R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact CZ-OE1 2.93Å; R160-E164 IonicContact NE-OE1 3.53Å; R160-E164 PolarHBondContact NE-OE1 3.02Å; R160-E164 IonicContact NH2-OE1 3.68Å; R160-E164 VanDerWaalsContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CB 3.06Å; R160-E164 VanDerWaalsContact O-CG 3.25Å; R160-E164 WeakPolarHBondContact O-CG 3.42Å; R160-E164 PolarHBondContact O-N 2.86Å; R160-H201 PolarHBondContact NH2-NE2 3.39Å
161	A	47.8	Very low	46.7	Very low	6 Å²	6	46.9 Å²	46.9	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-40.1	178.5	0	0	0	0	0	111.9	K76 Y157 F158 S165	K76-A161 HydrophobicContact CG-CB 4.47Å; Y157-A161 HydrophobicContact CE1-CB 4.41Å; Y157-A161 VanDerWaalsContact O-CB 3.24Å; Y157-A161 WeakPolarHBondContact O-CB 3.13Å; Y157-A161 PolarHBondContact O-N 3.38Å; F158-A161 PolarHBondContact O-N 2.94Å; A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 3.37Å; A161-S165 PolarHBondContact O-OG 3.2Å
162	T	46.6	Very low	46.8	Very low	6 Å²	6	50.3 Å²	50.3	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-46.8	176.1	-61.6	0	0	0	0	111.3	L73 F126 F158 V159 R160 E164 S165 L166	L73-T162 HydrophobicContact CD2-CG2 4.44Å; F126-T162 HydrophobicContact CD1-CG2 3.68Å; F126-T162 HydrophobicContact CE1-CG2 3.64Å; F126-T162 HydrophobicContact CG-CG2 4.17Å; F126-T162 HydrophobicContact CZ-CG2 4.11Å; F158-T162 WeakPolarHBondContact O-CB 3.41Å; F158-T162 PolarHBondContact O-N 3.37Å; F158-T162 PolarHBondContact O-OG1 3.29Å; F158-T162 VanDerWaalsContact O-OG1 3.05Å; V159-T162 PolarHBondContact O-N 2.86Å; R160-T162 VanDerWaalsContact C-N 3.34Å; R160-T162 PolarHBondContact O-N 3.24Å; T162-E164 PolarHBondContact O-N 2.82Å; T162-S165 PolarHBondContact O-N 3.32Å; T162-L166 WeakPolarHBondContact O-CB 3.4Å; T162-L166 PolarHBondContact O-N 2.86Å
163	L	45.6	Very low	46.6	Very low	100 Å²	100	47.1 Å²	47.1	52%	0.524	23%	0.23	S	C	.	.	H	α-helix	trans	-66.8	-36	177.2	-69.9	175.2	0	0	0	112.8	V159 R160 G167	V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CB 3.44Å; V159-L163 VanDerWaalsContact O-CG 3.29Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.25Å; R160-L163 PolarHBondContact O-N 3.26Å; L163-G167 PolarHBondContact O-N 3.5Å
164	E	48	Very low	46.6	Very low	78 Å²	78	46 Å²	46	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-44	173.5	-77	176.5	-176.7	0	0	111.3	R160 T162 G167 Q168	R160-E164 HydrophobicContact CG-CG 4.31Å; R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact CZ-OE1 2.93Å; R160-E164 IonicContact NE-OE1 3.53Å; R160-E164 PolarHBondContact NE-OE1 3.02Å; R160-E164 IonicContact NH2-OE1 3.68Å; R160-E164 VanDerWaalsContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CB 3.06Å; R160-E164 VanDerWaalsContact O-CG 3.25Å; R160-E164 WeakPolarHBondContact O-CG 3.42Å; R160-E164 PolarHBondContact O-N 2.86Å; T162-E164 PolarHBondContact O-N 2.82Å; E164-G167 PolarHBondContact O-N 2.74Å; E164-Q168 WeakPolarHBondContact O-CB 3.49Å; E164-Q168 PolarHBondContact O-N 3.24Å
165	S	47.8	Very low	46.5	Very low	4 Å²	4	48 Å²	48	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-43.6	177.3	-60	0	0	0	0	111.2	A161 T162 Q168 C169	A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 3.37Å; A161-S165 PolarHBondContact O-OG 3.2Å; T162-S165 PolarHBondContact O-N 3.32Å; S165-Q168 PolarHBondContact O-N 2.93Å; S165-C169 PolarHBondContact O-N 3.34Å
166	L	48.5	Very low	46.3	Very low	37 Å²	37	54.7 Å²	54.7	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-51.9	172	-176.7	76.2	0	0	0	110.8	F65 L69 T162 Q168 C169 V170 F183	F65-L166 HydrophobicContact CE1-CD1 4.27Å; F65-L166 HydrophobicContact CE2-CD1 4.48Å; F65-L166 HydrophobicContact CZ-CD1 3.55Å; L69-L166 HydrophobicContact CD1-CB 4.44Å; T162-L166 WeakPolarHBondContact O-CB 3.4Å; T162-L166 PolarHBondContact O-N 2.86Å; L166-Q168 PolarHBondContact O-N 2.93Å; L166-C169 PolarHBondContact O-N 3.35Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 3.38Å; L166-F183 HydrophobicContact CD1-CE1 4.32Å; L166-F183 HydrophobicContact CD1-CE2 4.19Å; L166-F183 HydrophobicContact CD1-CZ 3.47Å; L166-F183 VanDerWaalsContact CD1-CZ 3.47Å; L166-F183 HydrophobicContact CD2-CZ 4.37Å
167	G	46	Very low	46.1	Very low	20 Å²	20	61.2 Å²	61.2	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-34.7	178.5	0	0	0	0	0	112.9	L163 E164 R171	L163-G167 PolarHBondContact O-N 3.5Å; E164-G167 PolarHBondContact O-N 2.74Å; G167-R171 WeakPolarHBondContact O-CG 3.21Å; G167-R171 PolarHBondContact O-N 3.39Å; G167-R171 PolarHBondContact O-NH1 3.02Å; G167-R171 VanDerWaalsContact O-NH1 3.09Å
168	Q	50.6	Low	45.6	Very low	67 Å²	67	57.3 Å²	57.3	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-74	-43.6	175.4	-169.6	67.8	44.6	0	0	111.6	K72 E164 S165 L166 V170 R171 D172	K72-Q168 HydrophobicContact CD-CB 4.04Å; K72-Q168 HydrophobicContact CD-CG 4.07Å; K72-Q168 VanDerWaalsContact CE-CG 3.47Å; K72-Q168 VanDerWaalsContact NZ-CG 3.33Å; E164-Q168 WeakPolarHBondContact O-CB 3.49Å; E164-Q168 PolarHBondContact O-N 3.24Å; S165-Q168 PolarHBondContact O-N 2.93Å; L166-Q168 PolarHBondContact O-N 2.93Å; Q168-V170 VanDerWaalsContact C-N 3.27Å; Q168-V170 PolarHBondContact O-N 2.97Å; Q168-R171 CarbonylContact O-C 3.51Å; Q168-R171 WeakPolarHBondContact O-CA 3.24Å; Q168-R171 WeakPolarHBondContact O-CB 3.49Å; Q168-R171 PolarHBondContact O-N 3.49Å; Q168-D172 PolarHBondContact NE2-OD1 3.34Å; Q168-D172 PolarHBondContact O-N 3.3Å
169	C	46.1	Very low	45	Very low	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-33.1	175.7	-71.6	0	0	0	0	112.3	F65 C68 L69 K72 S165 L166 R171 D172 V173	F65-C169 HydrophobicContact CD2-CB 3.86Å; F65-C169 HydrophobicContact CE2-CB 3.67Å; C68-C169 HydrophobicContact CB-CB 3.97Å; C68-C169 WeakPolarHBondContact CB-SG 3.36Å; C68-C169 PolarHBondContact O-SG 3.05Å; C68-C169 VanDerWaalsContact O-SG 3.41Å; C68-C169 WeakPolarHBondContact SG-CA 3.07Å; C68-C169 WeakPolarHBondContact SG-CB 3.32Å; C68-C169 CovalentContact SG-SG 2.06Å; C68-C169 PolarHBondContact SG-SG 2.78Å; L69-C169 VanDerWaalsContact CA-SG 3.58Å; L69-C169 PolarHBondContact N-SG 2.91Å; K72-C169 VanDerWaalsContact CE-SG 3.52Å; S165-C169 PolarHBondContact O-N 3.34Å; L166-C169 PolarHBondContact O-N 3.35Å; C169-R171 VanDerWaalsContact C-N 3.27Å; C169-R171 PolarHBondContact O-N 2.87Å; C169-D172 PolarHBondContact O-N 2.69Å; C169-V173 WeakPolarHBondContact O-CB 3.29Å; C169-V173 WeakPolarHBondContact O-CG2 3.05Å; C169-V173 PolarHBondContact O-N 2.89Å
170	V	46.8	Very low	44.5	Very low	37 Å²	37	68.3 Å²	68.3	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-34.3	170.6	172.3	0	0	0	0	112.2	F65 L166 Q168 G174 P175 I178	F65-V170 HydrophobicContact CE2-CG2 3.8Å; F65-V170 HydrophobicContact CZ-CG2 4.23Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 3.38Å; Q168-V170 VanDerWaalsContact C-N 3.27Å; Q168-V170 PolarHBondContact O-N 2.97Å; V170-G174 CarbonylContact O-C 3.57Å; V170-G174 WeakPolarHBondContact O-CA 3.45Å; V170-G174 PolarHBondContact O-N 2.79Å; V170-G174 VanDerWaalsContact O-N 3.11Å; V170-P175 HydrophobicContact CG1-CB 4.16Å; V170-I178 VanDerWaalsContact CA-CD1 3.45Å; V170-I178 HydrophobicContact CB-CD1 4.06Å; V170-I178 HydrophobicContact CG1-CD1 4.2Å; V170-I178 HydrophobicContact CG2-CD1 3.97Å
171	R	48.6	Very low	43.8	Very low	145 Å²	145	65 Å²	65	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-71.9	-46.1	173	-73.5	-174.8	-69.4	-86.6	10	111.9	G167 Q168 C169 G174	G167-R171 WeakPolarHBondContact O-CG 3.21Å; G167-R171 PolarHBondContact O-N 3.39Å; G167-R171 PolarHBondContact O-NH1 3.02Å; G167-R171 VanDerWaalsContact O-NH1 3.09Å; Q168-R171 CarbonylContact O-C 3.51Å; Q168-R171 WeakPolarHBondContact O-CA 3.24Å; Q168-R171 WeakPolarHBondContact O-CB 3.49Å; Q168-R171 PolarHBondContact O-N 3.49Å; C169-R171 VanDerWaalsContact C-N 3.27Å; C169-R171 PolarHBondContact O-N 2.87Å; R171-G174 PolarHBondContact O-N 3.34Å
172	D	47	Very low	43	Very low	85 Å²	85	71.7 Å²	71.7	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-39.1	-173.5	-62.2	-8.1	0	0	0	111.5	K72 Q168 C169	K72-D172 WeakPolarHBondContact CE-OD2 3.32Å; K72-D172 IonicContact NZ-OD2 2.7Å; K72-D172 PolarHBondContact NZ-OD2 3.27Å; Q168-D172 PolarHBondContact NE2-OD1 3.34Å; Q168-D172 PolarHBondContact O-N 3.3Å; C169-D172 PolarHBondContact O-N 2.69Å
173	V	42.8	Very low	42.2	Very low	20 Å²	20	74.1 Å²	74.1	12%	0.121	36%	0.36	C	S	.	.	H	α-helix	trans	-86.4	-23.3	178.1	176.3	0	0	0	0	112.3	T61 F65 C169 R177 I178	T61-V173 HydrophobicContact CG2-CG1 3.63Å; F65-V173 HydrophobicContact CB-CG1 4.41Å; F65-V173 HydrophobicContact CB-CG2 4.19Å; F65-V173 HydrophobicContact CD2-CB 4.44Å; F65-V173 HydrophobicContact CD2-CG2 4.25Å; C169-V173 WeakPolarHBondContact O-CB 3.29Å; C169-V173 WeakPolarHBondContact O-CG2 3.05Å; C169-V173 PolarHBondContact O-N 2.89Å; V173-R177 WeakPolarHBondContact O-CD 3.46Å; V173-I178 HydrophobicContact CB-CD1 3.81Å; V173-I178 HydrophobicContact CB-CG1 4.23Å; V173-I178 HydrophobicContact CG1-CD1 3.94Å; V173-I178 HydrophobicContact CG1-CG1 3.77Å
174	G	44	Very low	41.3	Very low	19 Å²	19	72.4 Å²	72.4	20%	0.196	36%	0.355	C	S	.	.			trans	91.9	129	179.9	0	0	0	0	0	112.7	V170 R171 D176 R177 I178	V170-G174 CarbonylContact O-C 3.57Å; V170-G174 WeakPolarHBondContact O-CA 3.45Å; V170-G174 PolarHBondContact O-N 2.79Å; V170-G174 VanDerWaalsContact O-N 3.11Å; R171-G174 PolarHBondContact O-N 3.34Å; G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 3.41Å; G174-R177 PolarHBondContact O-N 3.3Å; G174-R177 VanDerWaalsContact O-N 3.15Å; G174-I178 WeakPolarHBondContact O-CD1 3.19Å; G174-I178 WeakPolarHBondContact O-CG1 3.38Å
175	P	42.6	Very low	40.4	Very low	69 Å²	69	72.2 Å²	72.2	45%	0.448	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.1	-170.9	25.6	-34.7	0	0	0	113.6	V170 R177 I178 K179	V170-P175 HydrophobicContact CG1-CB 4.16Å; P175-R177 VanDerWaalsContact C-N 3.26Å; P175-R177 PolarHBondContact O-N 3.36Å; P175-I178 PolarHBondContact O-N 3.14Å; P175-K179 PolarHBondContact O-N 2.85Å
176	D	42.8	Very low	39.4	Very low	146 Å²	146	75.5 Å²	75.5	78%	0.781	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.6	-180	-61.5	-44.9	0	0	0	111.8	G174 I178	G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 3.41Å; D176-I178 VanDerWaalsContact C-N 3.33Å
177	R	39.1	Very low	38.3	Very low	173 Å²	173	81.3 Å²	81.3	65%	0.653	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.5	178.8	-46	-167.7	173.5	-179.4	-5	112.9	T61 V173 G174 P175	T61-R177 HydrophobicContact CG2-CB 3.3Å; T61-R177 HydrophobicContact CG2-CG 4.33Å; V173-R177 WeakPolarHBondContact O-CD 3.46Å; G174-R177 PolarHBondContact O-N 3.3Å; G174-R177 VanDerWaalsContact O-N 3.15Å; P175-R177 VanDerWaalsContact C-N 3.26Å; P175-R177 PolarHBondContact O-N 3.36Å
178	I	37.8	Very low	37.2	Very low	23 Å²	23	82.5 Å²	82.5	12%	0.118	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	6.5	-175.5	-50.4	160.6	0	0	0	111.3	F65 V170 V173 G174 P175 D176 N180 F181	F65-I178 HydrophobicContact CD2-CD1 3.73Å; F65-I178 HydrophobicContact CD2-CG1 4.22Å; F65-I178 HydrophobicContact CD2-CG2 4.38Å; F65-I178 HydrophobicContact CE2-CD1 3.9Å; F65-I178 HydrophobicContact CE2-CG2 4.25Å; F65-I178 HydrophobicContact CZ-CG2 4.36Å; V170-I178 VanDerWaalsContact CA-CD1 3.45Å; V170-I178 HydrophobicContact CB-CD1 4.06Å; V170-I178 HydrophobicContact CG1-CD1 4.2Å; V170-I178 HydrophobicContact CG2-CD1 3.97Å; V173-I178 HydrophobicContact CB-CD1 3.81Å; V173-I178 HydrophobicContact CB-CG1 4.23Å; V173-I178 HydrophobicContact CG1-CD1 3.94Å; V173-I178 HydrophobicContact CG1-CG1 3.77Å; G174-I178 WeakPolarHBondContact O-CD1 3.19Å; G174-I178 WeakPolarHBondContact O-CG1 3.38Å; P175-I178 PolarHBondContact O-N 3.14Å; D176-I178 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 2.84Å; I178-F181 HydrophobicContact CG2-CB 3.56Å; I178-F181 HydrophobicContact CG2-CG 4.31Å; I178-F181 PolarHBondContact O-N 3.22Å
179	K	35	Very low	36	Very low	151 Å²	151	87.3 Å²	87.3	66%	0.657	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-26.1	-177	-177.6	178.7	174.8	-174.8	0	114	P175	P175-K179 PolarHBondContact O-N 2.85Å
180	N	35.3	Very low	34.9	Very low	126 Å²	126	89.5 Å²	89.5	67%	0.674	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	0.9	-175.6	-60.5	-21.8	0	0	0	114.1	I178 Y182	I178-N180 PolarHBondContact O-N 2.84Å; N180-Y182 PolarHBondContact O-N 3.26Å; N180-Y182 VanDerWaalsContact O-N 3.11Å
181	F	31.7	Very low	33.8	Very low	53 Å²	53	95.9 Å²	95.9	23%	0.232	49%	0.486	C	S	.	.			trans	-68.7	114.7	178.8	-160	-85.3	0	0	0	110.3	I62 F65 I66 I178 F183	I62-F181 HydrophobicContact CG2-CD2 4.16Å; I62-F181 HydrophobicContact CG2-CE2 4.07Å; F65-F181 AromaticContact CD1-CD2 3.72Å; F65-F181 HydrophobicContact CD1-CD2 3.72Å; F65-F181 AromaticContact CD1-CE2 3.55Å; F65-F181 HydrophobicContact CD1-CE2 3.55Å; F65-F181 HydrophobicContact CD1-CG 4.35Å; F65-F181 HydrophobicContact CD1-CZ 4.07Å; F65-F181 HydrophobicContact CE1-CD1 4.19Å; F65-F181 AromaticContact CE1-CD2 3.89Å; F65-F181 HydrophobicContact CE1-CD2 3.89Å; F65-F181 HydrophobicContact CE1-CE1 4.07Å; F65-F181 AromaticContact CE1-CE2 3.75Å; F65-F181 HydrophobicContact CE1-CE2 3.75Å; F65-F181 HydrophobicContact CE1-CG 4.1Å; F65-F181 AromaticContact CE1-CZ 3.84Å; F65-F181 HydrophobicContact CE1-CZ 3.84Å; I66-F181 HydrophobicContact CD1-CE2 4.49Å; I66-F181 HydrophobicContact CG1-CE2 4.16Å; I178-F181 HydrophobicContact CG2-CB 3.56Å; I178-F181 HydrophobicContact CG2-CG 4.31Å; I178-F181 PolarHBondContact O-N 3.22Å; F181-F183 HydrophobicContact CD1-CD1 4.34Å; F181-F183 AromaticContact CD1-CD2 3.75Å; F181-F183 HydrophobicContact CD1-CD2 3.75Å; F181-F183 AromaticContact CD1-CE1 3.98Å; F181-F183 HydrophobicContact CD1-CE1 3.98Å; F181-F183 AromaticContact CD1-CE2 3.31Å; F181-F183 HydrophobicContact CD1-CE2 3.31Å; F181-F183 HydrophobicContact CD1-CG 4.24Å; F181-F183 AromaticContact CD1-CZ 3.41Å; F181-F183 HydrophobicContact CD1-CZ 3.41Å; F181-F183 VanDerWaalsContact CD1-CZ 3.41Å; F181-F183 AromaticContact CE1-CD1 3.87Å; F181-F183 HydrophobicContact CE1-CD1 3.87Å; F181-F183 HydrophobicContact CE1-CD2 4.12Å; F181-F183 AromaticContact CE1-CE1 3.38Å; F181-F183 HydrophobicContact CE1-CE1 3.38Å; F181-F183 AromaticContact CE1-CE2 3.67Å; F181-F183 HydrophobicContact CE1-CE2 3.67Å; F181-F183 HydrophobicContact CE1-CG 4.2Å; F181-F183 AromaticContact CE1-CZ 3.23Å; F181-F183 HydrophobicContact CE1-CZ 3.23Å; F181-F183 HydrophobicContact CG-CE2 4.44Å; F181-F183 HydrophobicContact CZ-CE1 4.4Å; F181-F183 HydrophobicContact CZ-CZ 4.33Å
182	Y	31.5	Very low	32.7	Very low	146 Å²	146	91.4 Å²	91.4	57%	0.573	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-96.2	119.2	179.9	171.2	-90.5	0	0	0	109.4	N180 P184 K223	N180-Y182 PolarHBondContact O-N 3.26Å; N180-Y182 VanDerWaalsContact O-N 3.11Å; Y182-P184 HydrophobicContact CD1-CG 4.17Å; Y182-P184 HydrophobicContact CE1-CB 4.3Å; Y182-P184 HydrophobicContact CE1-CG 3.93Å; Y182-K223 HydrophobicContact CD2-CD 4.37Å; Y182-K223 HydrophobicContact CE2-CD 3.41Å; Y182-K223 VanDerWaalsContact CE2-CD 3.41Å; Y182-K223 HydrophobicContact CE2-CG 4.13Å; Y182-K223 WeakPolarHBondContact OH-CE 2.76Å; Y182-K223 PolarHBondContact OH-NZ 3.11Å
183	F	28.3	Very low	31.6	Very low	58 Å²	58	95.2 Å²	95.2	25%	0.254	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-92	120.8	167.1	-76.3	-75.1	0	0	0	108.6	Y125 L166 F181 K223	Y125-F183 HydrophobicContact CE1-CD1 4.19Å; Y125-F183 VanDerWaalsContact OH-CB 3.32Å; Y125-F183 WeakPolarHBondContact OH-CB 3.49Å; L166-F183 HydrophobicContact CD1-CE1 4.32Å; L166-F183 HydrophobicContact CD1-CE2 4.19Å; L166-F183 HydrophobicContact CD1-CZ 3.47Å; L166-F183 VanDerWaalsContact CD1-CZ 3.47Å; L166-F183 HydrophobicContact CD2-CZ 4.37Å; F181-F183 HydrophobicContact CD1-CD1 4.34Å; F181-F183 AromaticContact CD1-CD2 3.75Å; F181-F183 HydrophobicContact CD1-CD2 3.75Å; F181-F183 AromaticContact CD1-CE1 3.98Å; F181-F183 HydrophobicContact CD1-CE1 3.98Å; F181-F183 AromaticContact CD1-CE2 3.31Å; F181-F183 HydrophobicContact CD1-CE2 3.31Å; F181-F183 HydrophobicContact CD1-CG 4.24Å; F181-F183 AromaticContact CD1-CZ 3.41Å; F181-F183 HydrophobicContact CD1-CZ 3.41Å; F181-F183 VanDerWaalsContact CD1-CZ 3.41Å; F181-F183 AromaticContact CE1-CD1 3.87Å; F181-F183 HydrophobicContact CE1-CD1 3.87Å; F181-F183 HydrophobicContact CE1-CD2 4.12Å; F181-F183 AromaticContact CE1-CE1 3.38Å; F181-F183 HydrophobicContact CE1-CE1 3.38Å; F181-F183 AromaticContact CE1-CE2 3.67Å; F181-F183 HydrophobicContact CE1-CE2 3.67Å; F181-F183 HydrophobicContact CE1-CG 4.2Å; F181-F183 AromaticContact CE1-CZ 3.23Å; F181-F183 HydrophobicContact CE1-CZ 3.23Å; F181-F183 HydrophobicContact CG-CE2 4.44Å; F181-F183 HydrophobicContact CZ-CE1 4.4Å; F181-F183 HydrophobicContact CZ-CZ 4.33Å; F183-K223 PolarHBondContact O-NZ 3.19Å
184	P	26.7	Very low	31	Very low	63 Å²	63	98.9 Å²	98.9	41%	0.409	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.7	157.1	168.1	-16.9	28.8	0	0	0	111.7	Y125 Y182	Y125-P184 HydrophobicContact CE2-CB 3.99Å; Y125-P184 HydrophobicContact CE2-CG 4.18Å; Y125-P184 VanDerWaalsContact CE2-O 3.26Å; Y125-P184 WeakPolarHBondContact CE2-O 3.47Å; Y125-P184 PolarHBondContact OH-O 3.43Å; Y182-P184 HydrophobicContact CD1-CG 4.17Å; Y182-P184 HydrophobicContact CE1-CB 4.3Å; Y182-P184 HydrophobicContact CE1-CG 3.93Å
185	S	29.8	Very low	30.2	Very low	75 Å²	75	105.7 Å²	105.7	52%	0.524	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-56.8	138.7	-174.4	41.3	0	0	0	0	112.5
186	L	25.6	Very low	29.4	Very low	72 Å²	72	107.6 Å²	107.6	38%	0.377	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-87.6	116.3	165.3	-68.3	166.4	0	0	0	107	F118 A121 Y125 I188	F118-L186 HydrophobicContact CE1-CD2 4.26Å; F118-L186 HydrophobicContact CZ-CD1 4.05Å; F118-L186 HydrophobicContact CZ-CD2 4.47Å; A121-L186 HydrophobicContact CB-CD2 4.04Å; Y125-L186 HydrophobicContact CE1-CD2 4.22Å; L186-I188 HydrophobicContact CB-CD1 3.83Å; L186-I188 HydrophobicContact CB-CG1 3.97Å; L186-I188 HydrophobicContact CD1-CD1 4.07Å; L186-I188 HydrophobicContact CD2-CD1 4.19Å; L186-I188 HydrophobicContact CG-CD1 4.26Å; L186-I188 PolarHBondContact O-N 3.01Å
187	N	25.8	Very low	28.6	Very low	160 Å²	160	106 Å²	106	86%	0.856	52%	0.521	S	S	*	.			trans	-81.3	65.8	172.6	-133.5	17.3	0	0	0	108.6
188	I	24	Very low	28	Very low	45 Å²	45	107 Å²	107	23%	0.231	53%	0.526	C	S	.	.			trans	-105.7	97.9	179.6	-65	174	0	0	0	106.5	F118 A121 L186 V190	F118-I188 HydrophobicContact CD1-CD1 4.16Å; F118-I188 HydrophobicContact CD2-CD1 3.67Å; F118-I188 HydrophobicContact CE1-CD1 3.88Å; F118-I188 HydrophobicContact CE2-CD1 3.37Å; F118-I188 HydrophobicContact CG-CD1 4.07Å; F118-I188 HydrophobicContact CZ-CD1 3.48Å; F118-I188 VanDerWaalsContact CZ-CD1 3.48Å; A121-I188 HydrophobicContact CB-CD1 4.36Å; L186-I188 HydrophobicContact CB-CD1 3.83Å; L186-I188 HydrophobicContact CB-CG1 3.97Å; L186-I188 HydrophobicContact CD1-CD1 4.07Å; L186-I188 HydrophobicContact CD2-CD1 4.19Å; L186-I188 HydrophobicContact CG-CD1 4.26Å; L186-I188 PolarHBondContact O-N 3.01Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 HydrophobicContact CG2-CB 4Å; I188-V190 HydrophobicContact CG2-CG2 3.29Å; I188-V190 PolarHBondContact O-N 3.03Å; I188-V190 VanDerWaalsContact O-N 3.09Å
189	D	24.7	Very low	27.4	Very low	167 Å²	167	110.4 Å²	110.4	89%	0.893	56%	0.557	S	S	*	*			trans	-82.6	80.7	174.7	-155.7	12.6	0	0	0	108.4
190	V	23	Very low	26.9	Very low	47 Å²	47	108.8 Å²	108.8	29%	0.285	56%	0.556	S	S	.	*			trans	-138.2	120.1	178.2	-165.6	0	0	0	0	107.5	P116 P117 I188 F192	P116-V190 HydrophobicContact CB-CB 4.16Å; P116-V190 HydrophobicContact CB-CG1 3.96Å; P116-V190 HydrophobicContact CB-CG2 4.03Å; P117-V190 HydrophobicContact CG-CG2 3.2Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 HydrophobicContact CG2-CB 4Å; I188-V190 HydrophobicContact CG2-CG2 3.29Å; I188-V190 PolarHBondContact O-N 3.03Å; I188-V190 VanDerWaalsContact O-N 3.09Å; V190-F192 HydrophobicContact CG1-CB 4.32Å; V190-F192 PolarHBondContact O-N 3.49Å
191	D	23.3	Very low	26.5	Very low	171 Å²	171	108.7 Å²	108.7	91%	0.914	55%	0.551	S	S	*	*			trans	-61.6	53.8	164.4	-99.6	-27.2	0	0	0	111.2	K193	D191-K193 PolarHBondContact O-N 3.39Å
192	F	25.6	Very low	26.3	Very low	50 Å²	50	113.7 Å²	113.7	22%	0.219	58%	0.578	C	S	.	*			trans	-73.5	101.6	176.1	-168.9	-95.5	0	0	0	107.2	P116 V190 F194 L197	P116-F192 HydrophobicContact CB-CD2 4.21Å; P116-F192 HydrophobicContact CG-CD2 4.1Å; P116-F192 HydrophobicContact CG-CE2 4.31Å; V190-F192 HydrophobicContact CG1-CB 4.32Å; V190-F192 PolarHBondContact O-N 3.49Å; F192-F194 HydrophobicContact CB-CD2 4.39Å; F192-F194 HydrophobicContact CB-CE2 4.15Å; F192-F194 HydrophobicContact CD1-CB 4.13Å; F192-F194 AromaticContact CD1-CD1 3.53Å; F192-F194 HydrophobicContact CD1-CD1 3.53Å; F192-F194 AromaticContact CD1-CD2 3.55Å; F192-F194 HydrophobicContact CD1-CD2 3.55Å; F192-F194 AromaticContact CD1-CE1 3.65Å; F192-F194 HydrophobicContact CD1-CE1 3.65Å; F192-F194 AromaticContact CD1-CE2 3.67Å; F192-F194 HydrophobicContact CD1-CE2 3.67Å; F192-F194 AromaticContact CD1-CG 3.46Å; F192-F194 HydrophobicContact CD1-CG 3.46Å; F192-F194 VanDerWaalsContact CD1-CG 3.46Å; F192-F194 AromaticContact CD1-CZ 3.72Å; F192-F194 HydrophobicContact CD1-CZ 3.72Å; F192-F194 HydrophobicContact CE1-CB 4.3Å; F192-F194 AromaticContact CE1-CD1 3.53Å; F192-F194 HydrophobicContact CE1-CD1 3.53Å; F192-F194 HydrophobicContact CE1-CD2 4.37Å; F192-F194 AromaticContact CE1-CE1 3.81Å; F192-F194 HydrophobicContact CE1-CE1 3.81Å; F192-F194 AromaticContact CE1-CG 3.83Å; F192-F194 HydrophobicContact CE1-CG 3.83Å; F192-F194 HydrophobicContact CE1-CZ 4.33Å; F192-F194 HydrophobicContact CG-CD2 4.46Å; F192-F194 HydrophobicContact CG-CE2 4.35Å; F192-F194 HydrophobicContact CG-CZ 4.5Å; F192-F194 VanDerWaalsContact O-CD2 3.25Å; F192-F194 WeakPolarHBondContact O-CD2 3.49Å; F192-F194 PolarHBondContact O-N 2.89Å; F192-L197 HydrophobicContact CE1-CD1 3.79Å; F192-L197 HydrophobicContact CE1-CG 4.27Å; F192-L197 HydrophobicContact CZ-CD1 3.84Å; F192-L197 HydrophobicContact CZ-CG 4.01Å
193	K	24	Very low	26.1	Very low	165 Å²	165	112.4 Å²	112.4	72%	0.717	59%	0.586	S	S	*	*			trans	-65.2	87.4	165.3	-70.2	-178.6	-179.3	175.6	0	107.8	D191 Q195 N196	D191-K193 PolarHBondContact O-N 3.39Å; K193-Q195 PolarHBondContact O-N 3.47Å; K193-N196 PolarHBondContact O-N 2.84Å
194	F	30.2	Very low	26.5	Very low	98 Å²	98	115.5 Å²	115.5	43%	0.43	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-53	-12.5	-179	-87.3	-82.9	0	0	0	114.9	F192 N196 L197 L213	F192-F194 HydrophobicContact CB-CD2 4.39Å; F192-F194 HydrophobicContact CB-CE2 4.15Å; F192-F194 HydrophobicContact CD1-CB 4.13Å; F192-F194 AromaticContact CD1-CD1 3.53Å; F192-F194 HydrophobicContact CD1-CD1 3.53Å; F192-F194 AromaticContact CD1-CD2 3.55Å; F192-F194 HydrophobicContact CD1-CD2 3.55Å; F192-F194 AromaticContact CD1-CE1 3.65Å; F192-F194 HydrophobicContact CD1-CE1 3.65Å; F192-F194 AromaticContact CD1-CE2 3.67Å; F192-F194 HydrophobicContact CD1-CE2 3.67Å; F192-F194 AromaticContact CD1-CG 3.46Å; F192-F194 HydrophobicContact CD1-CG 3.46Å; F192-F194 VanDerWaalsContact CD1-CG 3.46Å; F192-F194 AromaticContact CD1-CZ 3.72Å; F192-F194 HydrophobicContact CD1-CZ 3.72Å; F192-F194 HydrophobicContact CE1-CB 4.3Å; F192-F194 AromaticContact CE1-CD1 3.53Å; F192-F194 HydrophobicContact CE1-CD1 3.53Å; F192-F194 HydrophobicContact CE1-CD2 4.37Å; F192-F194 AromaticContact CE1-CE1 3.81Å; F192-F194 HydrophobicContact CE1-CE1 3.81Å; F192-F194 AromaticContact CE1-CG 3.83Å; F192-F194 HydrophobicContact CE1-CG 3.83Å; F192-F194 HydrophobicContact CE1-CZ 4.33Å; F192-F194 HydrophobicContact CG-CD2 4.46Å; F192-F194 HydrophobicContact CG-CE2 4.35Å; F192-F194 HydrophobicContact CG-CZ 4.5Å; F192-F194 VanDerWaalsContact O-CD2 3.25Å; F192-F194 WeakPolarHBondContact O-CD2 3.49Å; F192-F194 PolarHBondContact O-N 2.89Å; F194-N196 PolarHBondContact O-N 2.8Å; F194-L197 PolarHBondContact O-N 3.31Å; F194-L213 HydrophobicContact CE1-CD2 4.06Å
195	Q	26.8	Very low	26.8	Very low	162 Å²	162	114.7 Å²	114.7	76%	0.757	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-64.6	-17.4	170.3	-65.2	176	-0.7	0	0	113.5	K193 Y198	K193-Q195 PolarHBondContact O-N 3.47Å; Q195-Y198 WeakPolarHBondContact O-CB 3.41Å; Q195-Y198 PolarHBondContact O-N 3.09Å
196	N	26	Very low	27	Very low	109 Å²	109	114.8 Å²	114.8	58%	0.583	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-86.6	-16.1	179.9	-73.1	-4.2	0	0	0	114.3	K193 F194 Y198	K193-N196 PolarHBondContact O-N 2.84Å; F194-N196 PolarHBondContact O-N 2.8Å; N196-Y198 PolarHBondContact O-N 2.74Å; N196-Y198 VanDerWaalsContact O-N 3.16Å
197	L	26.2	Very low	27.4	Very low	112 Å²	112	115.1 Å²	115.1	59%	0.586	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-68.1	-6.9	166.8	-104.7	165.5	0	0	0	112.6	F192 F194	F192-L197 HydrophobicContact CE1-CD1 3.79Å; F192-L197 HydrophobicContact CE1-CG 4.27Å; F192-L197 HydrophobicContact CZ-CD1 3.84Å; F192-L197 HydrophobicContact CZ-CG 4.01Å; F194-L197 PolarHBondContact O-N 3.31Å
198	Y	26.6	Very low	27.6	Very low	195 Å²	195	116.5 Å²	116.5	77%	0.765	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-76.1	-20.3	-178	-142.6	-90.5	0	0	0	113.4	Q195 N196	Q195-Y198 WeakPolarHBondContact O-CB 3.41Å; Q195-Y198 PolarHBondContact O-N 3.09Å; N196-Y198 PolarHBondContact O-N 2.74Å; N196-Y198 VanDerWaalsContact O-N 3.16Å
199	A	26.2	Very low	28	Very low	93 Å²	93	120.1 Å²	120.1	77%	0.769	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-83.8	-7.9	-173	0	0	0	0	0	114.7
200	L	23.9	Very low	28.4	Very low	118 Å²	118	115.6 Å²	115.6	62%	0.618	60%	0.596	S	S	*	*	S	Bend	trans	-123.4	120	179.3	-142.1	80.3	0	0	0	112
201	H	26.6	Very low	29	Very low	124 Å²	124	114.7 Å²	114.7	57%	0.574	59%	0.589	S	S	*	*			trans	96.6	77.6	168.9	-61.3	-44.8	0	0	0	118.3	R160	R160-H201 PolarHBondContact NH2-NE2 3.39Å
202	I	27	Very low	29.7	Very low	157 Å²	157	110.7 Å²	110.7	81%	0.805	57%	0.566	S	S	*	*			trans	-40.5	140.8	145.9	-57.4	169	0	0	0	111.3
203	T	28.4	Very low	30.2	Very low	119 Å²	119	111.3 Å²	111.3	73%	0.73	57%	0.572	S	S	*	*	S	Bend	trans	89.9	89.8	175.2	68.5	0	0	0	0	118.6	G205	T203-G205 PolarHBondContact O-N 3.35Å
204	S	36.4	Very low	31	Very low	124 Å²	124	104 Å²	104	87%	0.867	54%	0.54	S	S	*	.	S	Bend	trans	65.1	-11	149.6	77.9	0	0	0	0	122.6
205	G	32.4	Very low	31.5	Very low	46 Å²	46	104 Å²	104	47%	0.474	54%	0.538	S	S	.	.			trans	-95.7	-8.1	-179.1	0	0	0	0	0	117.1	T203	T203-G205 PolarHBondContact O-N 3.35Å
206	T	34	Very low	32.1	Very low	77 Å²	77	100.4 Å²	100.4	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-74.5	-34.9	-164.3	24.5	0	0	0	0	114.9	R208 K209 Q210	T206-R208 PolarHBondContact O-N 3.13Å; T206-K209 PolarHBondContact O-N 3.46Å; T206-Q210 PolarHBondContact O-N 3.18Å
207	H	33.8	Very low	32.9	Very low	78 Å²	78	99.9 Å²	99.9	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-40.3	-176.1	-70.2	-60.8	0	0	0	112.5	K209 I211 H314 Q318	H207-K209 PolarHBondContact O-N 3.37Å; H207-I211 VanDerWaalsContact O-CB 3.27Å; H207-I211 WeakPolarHBondContact O-CB 3.48Å; H207-I211 VanDerWaalsContact O-CD1 3.29Å; H207-I211 WeakPolarHBondContact O-CD1 3.41Å; H207-I211 WeakPolarHBondContact O-CG1 3.26Å; H207-I211 PolarHBondContact O-N 3.49Å; H207-I211 VanDerWaalsContact O-N 3.14Å; H207-H314 AromaticContact CD2-CE1 3.53Å; H207-H314 AromaticContact CD2-NE2 3.37Å; H207-H314 PolarHBondContact CD2-NE2 3.16Å; H207-H314 AromaticContact CE1-CE1 3.67Å; H207-H314 AromaticContact CE1-NE2 2.93Å; H207-H314 PolarHBondContact CE1-NE2 3.32Å; H207-H314 AromaticContact CG-CE1 3.45Å; H207-H314 VanDerWaalsContact CG-CE1 3.45Å; H207-H314 AromaticContact CG-NE2 3.52Å; H207-H314 AromaticContact ND1-CE1 3.51Å; H207-H314 AromaticContact ND1-NE2 3.23Å; H207-H314 PolarHBondContact ND1-NE2 2.66Å; H207-H314 AromaticContact NE2-CE1 3.65Å; H207-H314 AromaticContact NE2-NE2 2.96Å; H207-H314 PolarHBondContact NE2-NE2 3.09Å; H207-Q318 PolarHBondContact CE1-NE2 3.12Å; H207-Q318 PolarHBondContact ND1-NE2 2.79Å; H207-Q318 VanDerWaalsContact ND1-NE2 3.2Å
208	R	31.4	Very low	33.7	Very low	189 Å²	189	95.7 Å²	95.7	71%	0.713	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-37.1	180	-70.2	-174.8	-175.9	-178	1.4	112.7	T206 I211 I212	T206-R208 PolarHBondContact O-N 3.13Å; R208-I211 WeakPolarHBondContact O-CB 3.2Å; R208-I212 WeakPolarHBondContact O-CD1 3.41Å; R208-I212 WeakPolarHBondContact O-CG1 3.46Å; R208-I212 PolarHBondContact O-N 2.82Å
209	K	31.8	Very low	34.6	Very low	121 Å²	121	93.4 Å²	93.4	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-67.8	-48.2	-179.4	-67.4	-176.3	-179.9	-179.2	0	112	T206 H207 I211 I212 L213	T206-K209 PolarHBondContact O-N 3.46Å; H207-K209 PolarHBondContact O-N 3.37Å; K209-I211 VanDerWaalsContact C-N 3.28Å; K209-I211 PolarHBondContact O-N 2.81Å; K209-I212 PolarHBondContact O-N 3.37Å; K209-L213 WeakPolarHBondContact O-CD1 3.35Å; K209-L213 PolarHBondContact O-N 2.74Å
210	Q	33.4	Very low	35.4	Very low	73 Å²	73	90.9 Å²	90.9	34%	0.341	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-37.7	177.8	-170.2	65.2	42.4	0	0	112.1	T206 L213 N214	T206-Q210 PolarHBondContact O-N 3.18Å; Q210-L213 PolarHBondContact O-N 3.05Å; Q210-N214 PolarHBondContact NE2-OD1 3.48Å; Q210-N214 WeakPolarHBondContact O-CB 3.29Å; Q210-N214 PolarHBondContact O-N 3.21Å
211	I	35.7	Very low	36.6	Very low	27 Å²	27	88.4 Å²	88.4	14%	0.138	45%	0.447	C	S	.	.	H	α-helix	trans	-59.2	-49.1	174.7	-77.1	174.4	0	0	0	111.2	H207 R208 K209 R215 T321	H207-I211 VanDerWaalsContact O-CB 3.27Å; H207-I211 WeakPolarHBondContact O-CB 3.48Å; H207-I211 VanDerWaalsContact O-CD1 3.29Å; H207-I211 WeakPolarHBondContact O-CD1 3.41Å; H207-I211 WeakPolarHBondContact O-CG1 3.26Å; H207-I211 PolarHBondContact O-N 3.49Å; H207-I211 VanDerWaalsContact O-N 3.14Å; R208-I211 WeakPolarHBondContact O-CB 3.2Å; K209-I211 VanDerWaalsContact C-N 3.28Å; K209-I211 PolarHBondContact O-N 2.81Å; I211-R215 WeakPolarHBondContact O-CB 3.34Å; I211-R215 VanDerWaalsContact O-CG 3.29Å; I211-R215 WeakPolarHBondContact O-CG 3.24Å; I211-R215 PolarHBondContact O-N 2.8Å; I211-T321 HydrophobicContact CB-CG2 3.54Å; I211-T321 HydrophobicContact CD1-CG2 3.91Å; I211-T321 HydrophobicContact CG1-CG2 3.34Å; I211-T321 HydrophobicContact CG2-CG2 3.16Å
212	I	37.8	Very low	37.6	Very low	87 Å²	87	84.4 Å²	84.4	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-48.1	178.4	-69.6	163.6	0	0	0	109.7	R208 K209 N214 R215 M216	R208-I212 WeakPolarHBondContact O-CD1 3.41Å; R208-I212 WeakPolarHBondContact O-CG1 3.46Å; R208-I212 PolarHBondContact O-N 2.82Å; K209-I212 PolarHBondContact O-N 3.37Å; I212-N214 PolarHBondContact O-N 2.95Å; I212-R215 PolarHBondContact O-N 2.98Å; I212-M216 HydrophobicContact CG2-CG 4.33Å; I212-M216 HydrophobicContact CG2-SD 3.76Å; I212-M216 WeakPolarHBondContact O-CB 3.49Å; I212-M216 WeakPolarHBondContact O-CG 3.05Å; I212-M216 PolarHBondContact O-N 2.9Å
213	L	36.1	Very low	38.6	Very low	63 Å²	63	78.8 Å²	78.8	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-60.9	-44.9	179.6	-90.8	141.8	0	0	0	113.7	F194 K209 Q210 M216 M217	F194-L213 HydrophobicContact CE1-CD2 4.06Å; K209-L213 WeakPolarHBondContact O-CD1 3.35Å; K209-L213 PolarHBondContact O-N 2.74Å; Q210-L213 PolarHBondContact O-N 3.05Å; L213-M216 WeakPolarHBondContact O-CB 3.33Å; L213-M216 PolarHBondContact O-N 3.36Å; L213-M217 PolarHBondContact O-N 3.46Å
214	N	40.9	Very low	39.8	Very low	12 Å²	12	75.9 Å²	75.9	6%	0.064	38%	0.379	C	S	.	.	H	α-helix	trans	-67.6	-40.5	177.7	-69.9	-8.4	0	0	0	111.7	Q210 I212 M216 M217 V218 Q322	Q210-N214 PolarHBondContact NE2-OD1 3.48Å; Q210-N214 WeakPolarHBondContact O-CB 3.29Å; Q210-N214 PolarHBondContact O-N 3.21Å; I212-N214 PolarHBondContact O-N 2.95Å; N214-M216 VanDerWaalsContact C-N 3.25Å; N214-M216 PolarHBondContact O-N 3.42Å; N214-M217 HydrophobicContact CB-CE 4.44Å; N214-M217 PolarHBondContact O-N 3.49Å; N214-M217 WeakPolarHBondContact OD1-CE 3.48Å; N214-V218 PolarHBondContact O-N 3.27Å; N214-Q322 HydrophobicContact CB-CB 4.21Å; N214-Q322 VanDerWaalsContact ND2-CD 3.3Å; N214-Q322 WeakPolarHBondContact ND2-CG 3.46Å; N214-Q322 PolarHBondContact ND2-NE2 3.1Å; N214-Q322 VanDerWaalsContact ND2-NE2 3.2Å
215	R	39.2	Very low	40.6	Very low	98 Å²	98	70.1 Å²	70.1	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-59.7	-38.6	171.6	-75.5	178.4	175	179.7	2.5	111.3	I211 I212 R219 T321	I211-R215 WeakPolarHBondContact O-CB 3.34Å; I211-R215 VanDerWaalsContact O-CG 3.29Å; I211-R215 WeakPolarHBondContact O-CG 3.24Å; I211-R215 PolarHBondContact O-N 2.8Å; I212-R215 PolarHBondContact O-N 2.98Å; R215-R219 WeakPolarHBondContact O-CB 3.41Å; R215-R219 WeakPolarHBondContact O-CG 3.34Å; R215-R219 PolarHBondContact O-N 3.39Å; R215-T321 HydrophobicContact CG-CG2 4.48Å
216	M	41	Very low	41.5	Very low	86 Å²	86	70.2 Å²	70.2	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-45.8	174.3	-71	167.5	71.9	0	0	111.3	I212 L213 N214 R219 S220	I212-M216 HydrophobicContact CG2-CG 4.33Å; I212-M216 HydrophobicContact CG2-SD 3.76Å; I212-M216 WeakPolarHBondContact O-CB 3.49Å; I212-M216 WeakPolarHBondContact O-CG 3.05Å; I212-M216 PolarHBondContact O-N 2.9Å; L213-M216 WeakPolarHBondContact O-CB 3.33Å; L213-M216 PolarHBondContact O-N 3.36Å; N214-M216 VanDerWaalsContact C-N 3.25Å; N214-M216 PolarHBondContact O-N 3.42Å; M216-R219 PolarHBondContact O-N 3.16Å; M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 3.28Å
217	M	42.1	Very low	42.5	Very low	99 Å²	99	70 Å²	70	49%	0.488	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-48.3	178.3	-71.6	-168.9	-65.5	0	0	112.6	L213 N214 S220 K221	L213-M217 PolarHBondContact O-N 3.46Å; N214-M217 HydrophobicContact CB-CE 4.44Å; N214-M217 PolarHBondContact O-N 3.49Å; N214-M217 WeakPolarHBondContact OD1-CE 3.48Å; M217-S220 PolarHBondContact O-N 3.39Å; M217-K221 WeakPolarHBondContact O-CG 3.41Å; M217-K221 PolarHBondContact O-N 3.32Å
218	V	44.1	Very low	43.8	Very low	23 Å²	23	74 Å²	74	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-45.2	178.7	172.6	0	0	0	0	110.9	N214 S220 K221 L222 V276 Q322	N214-V218 PolarHBondContact O-N 3.27Å; V218-S220 VanDerWaalsContact C-N 3.34Å; V218-S220 PolarHBondContact O-N 2.96Å; V218-K221 PolarHBondContact O-N 2.95Å; V218-L222 HydrophobicContact CG1-CD1 4.13Å; V218-L222 WeakPolarHBondContact O-CG 3.28Å; V218-L222 PolarHBondContact O-N 2.84Å; V218-L222 VanDerWaalsContact O-N 3.08Å; V218-V276 HydrophobicContact CB-CG2 4.47Å; V218-V276 HydrophobicContact CG1-CG1 3.68Å; V218-V276 HydrophobicContact CG1-CG2 3.99Å; V218-V276 HydrophobicContact CG2-CG1 4.15Å; V218-V276 HydrophobicContact CG2-CG2 4.25Å; V218-Q322 VanDerWaalsContact CG2-O 3.24Å; V218-Q322 WeakPolarHBondContact CG2-O 3.18Å
219	R	44.1	Very low	45.2	Very low	148 Å²	148	68 Å²	68	56%	0.558	34%	0.337	S	S	*	.	H	α-helix	trans	-65.8	-35.6	176.4	-73.7	177.7	174.9	-172	-3	112.1	R215 M216 L222 K223	R215-R219 WeakPolarHBondContact O-CB 3.41Å; R215-R219 WeakPolarHBondContact O-CG 3.34Å; R215-R219 PolarHBondContact O-N 3.39Å; M216-R219 PolarHBondContact O-N 3.16Å; R219-L222 PolarHBondContact O-N 3.35Å; R219-K223 WeakPolarHBondContact O-CB 3.41Å; R219-K223 PolarHBondContact O-N 3.38Å
220	S	43.1	Very low	46.6	Very low	39 Å²	39	65.2 Å²	65.2	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-50.3	176	-167	0	0	0	0	110.9	M216 M217 V218 L222 K223 D224	M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 3.28Å; M217-S220 PolarHBondContact O-N 3.39Å; V218-S220 VanDerWaalsContact C-N 3.34Å; V218-S220 PolarHBondContact O-N 2.96Å; S220-L222 PolarHBondContact O-N 3.49Å; S220-K223 WeakPolarHBondContact O-CB 3.47Å; S220-K223 PolarHBondContact O-N 2.98Å; S220-D224 PolarHBondContact O-N 2.76Å
221	K	49.2	Very low	48.1	Very low	66 Å²	66	66.6 Å²	66.6	29%	0.287	34%	0.34	S	S	.	.	H	α-helix	trans	-56.3	-40.2	176.1	-74.3	-172.8	175.5	-163	0	112.1	M217 V218 R272 D275 V276	M217-K221 WeakPolarHBondContact O-CG 3.41Å; M217-K221 PolarHBondContact O-N 3.32Å; V218-K221 PolarHBondContact O-N 2.95Å; K221-R272 HydrophobicContact CB-CB 4.42Å; K221-D275 IonicContact NZ-OD2 3.61Å; K221-D275 PolarHBondContact NZ-OD2 2.96Å; K221-V276 HydrophobicContact CD-CG2 4.36Å
222	L	48.1	Very low	49.3	Very low	40 Å²	40	67.9 Å²	67.9	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-72	-33.7	175.1	-72.8	172.7	0	0	0	113.2	V218 R219 S220 C225 V226 I237 L273	V218-L222 HydrophobicContact CG1-CD1 4.13Å; V218-L222 WeakPolarHBondContact O-CG 3.28Å; V218-L222 PolarHBondContact O-N 2.84Å; V218-L222 VanDerWaalsContact O-N 3.08Å; R219-L222 PolarHBondContact O-N 3.35Å; S220-L222 PolarHBondContact O-N 3.49Å; L222-C225 VanDerWaalsContact O-CB 3.27Å; L222-C225 WeakPolarHBondContact O-CB 3.37Å; L222-C225 PolarHBondContact O-N 3.22Å; L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 3.04Å; L222-I237 HydrophobicContact CD2-CD1 4.49Å; L222-I237 HydrophobicContact CD2-CG1 4.38Å; L222-L273 HydrophobicContact CD2-CD2 3.39Å; L222-L273 HydrophobicContact CD2-CG 4.13Å
223	K	48.8	Very low	50	Low	40 Å²	40	63.9 Å²	63.9	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-37.2	-178.9	169.3	-166.6	155.5	164.6	0	112	Y182 F183 R219 S220 C225 V226 G227	Y182-K223 HydrophobicContact CD2-CD 4.37Å; Y182-K223 HydrophobicContact CE2-CD 3.41Å; Y182-K223 VanDerWaalsContact CE2-CD 3.41Å; Y182-K223 HydrophobicContact CE2-CG 4.13Å; Y182-K223 WeakPolarHBondContact OH-CE 2.76Å; Y182-K223 PolarHBondContact OH-NZ 3.11Å; F183-K223 PolarHBondContact O-NZ 3.19Å; R219-K223 WeakPolarHBondContact O-CB 3.41Å; R219-K223 PolarHBondContact O-N 3.38Å; S220-K223 WeakPolarHBondContact O-CB 3.47Å; S220-K223 PolarHBondContact O-N 2.98Å; K223-C225 PolarHBondContact O-N 3.39Å; K223-V226 CarbonylContact O-C 3.6Å; K223-V226 WeakPolarHBondContact O-CA 3.05Å; K223-V226 WeakPolarHBondContact O-CB 3.41Å; K223-V226 PolarHBondContact O-N 3.14Å; K223-G227 PolarHBondContact O-N 2.94Å
224	D	51.8	Low	51.1	Low	58 Å²	58	66.4 Å²	66.4	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-31.6	172.1	-64.3	-19.4	0	0	0	110.5	S220 R228 Y268	S220-D224 PolarHBondContact O-N 2.76Å; D224-R228 WeakPolarHBondContact O-CG 3.08Å; D224-R228 PolarHBondContact O-N 3.1Å; D224-Y268 HydrophobicContact CB-CE1 4.42Å
225	C	53.3	Low	52.1	Low	2 Å²	2	72.5 Å²	72.5	1%	0.014	36%	0.357	C	S	.	.	H	α-helix	trans	-73	-44.2	171.4	-67	0	0	0	0	113.5	L222 K223 G227 R228 D229 T233 C269	L222-C225 VanDerWaalsContact O-CB 3.27Å; L222-C225 WeakPolarHBondContact O-CB 3.37Å; L222-C225 PolarHBondContact O-N 3.22Å; K223-C225 PolarHBondContact O-N 3.39Å; C225-G227 PolarHBondContact O-N 2.93Å; C225-R228 PolarHBondContact O-N 3.17Å; C225-D229 PolarHBondContact O-N 2.89Å; C225-T233 HydrophobicContact CB-CG2 3.75Å; C225-T233 WeakPolarHBondContact CB-OG1 3.4Å; C225-T233 PolarHBondContact O-OG1 2.86Å; C225-C269 WeakPolarHBondContact CA-SG 3.41Å; C225-C269 HydrophobicContact CB-CB 3.78Å; C225-C269 WeakPolarHBondContact CB-SG 3.12Å; C225-C269 WeakPolarHBondContact SG-CA 3.41Å; C225-C269 WeakPolarHBondContact SG-CB 3.49Å; C225-C269 CovalentContact SG-SG 2.03Å; C225-C269 PolarHBondContact SG-SG 3.5Å
226	V	53	Low	53.1	Low	48 Å²	48	68.2 Å²	68.2	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-39.5	173.8	174.6	0	0	0	0	111	L222 K223 R228 D229 V230 T233	L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 3.04Å; K223-V226 CarbonylContact O-C 3.6Å; K223-V226 WeakPolarHBondContact O-CA 3.05Å; K223-V226 WeakPolarHBondContact O-CB 3.41Å; K223-V226 PolarHBondContact O-N 3.14Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.15Å; V226-D229 CarbonylContact O-C 3.51Å; V226-V230 HydrophobicContact CG1-CB 4.24Å; V226-V230 HydrophobicContact CG1-CG1 4.13Å; V226-V230 HydrophobicContact CG1-CG2 3.85Å; V226-V230 VanDerWaalsContact O-CA 3.29Å; V226-V230 WeakPolarHBondContact O-CA 3.5Å; V226-V230 WeakPolarHBondContact O-CG2 3.19Å; V226-V230 PolarHBondContact O-N 2.86Å; V226-T233 HydrophobicContact CB-CG2 4.48Å; V226-T233 HydrophobicContact CG2-CG2 3.55Å; V226-T233 PolarHBondContact N-OG1 3.19Å
227	G	54.2	Low	53.8	Low	73 Å²	73	66 Å²	66	75%	0.753	33%	0.331	S	S	*	.	H	α-helix	trans	-67.9	-26.1	178.2	0	0	0	0	0	114.4	K223 C225	K223-G227 PolarHBondContact O-N 2.94Å; C225-G227 PolarHBondContact O-N 2.93Å
228	R	60.6	Low	54.6	Low	162 Å²	162	66.4 Å²	66.4	61%	0.611	33%	0.334	S	S	*	.	H	α-helix	trans	-82.9	-44.3	176.4	-73.8	175.8	176.8	-116.5	-3.2	112	D224 C225 V226	D224-R228 WeakPolarHBondContact O-CG 3.08Å; D224-R228 PolarHBondContact O-N 3.1Å; C225-R228 PolarHBondContact O-N 3.17Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.15Å
229	D	61.6	Low	55.4	Low	62 Å²	62	66.6 Å²	66.6	33%	0.332	34%	0.336	S	S	.	.			trans	-155.8	100.9	174.9	-171.5	-28.8	0	0	0	109.7	C225 V226 D231 R232 T233	C225-D229 PolarHBondContact O-N 2.89Å; V226-D229 CarbonylContact O-C 3.51Å; D229-D231 PolarHBondContact O-N 3.36Å; D229-D231 PolarHBondContact OD1-N 2.84Å; D229-R232 HydrophobicContact CB-CB 3.77Å; D229-R232 WeakPolarHBondContact OD1-CB 3.47Å; D229-R232 PolarHBondContact OD1-N 3.15Å; D229-R232 WeakPolarHBondContact OD2-CB 3.27Å; D229-R232 WeakPolarHBondContact OD2-CD 3.36Å; D229-T233 VanDerWaalsContact O-CB 3.24Å; D229-T233 WeakPolarHBondContact O-CB 3.43Å; D229-T233 PolarHBondContact O-N 3.25Å; D229-T233 PolarHBondContact O-OG1 2.97Å
230	V	60.3	Low	55.9	Low	63 Å²	63	60.9 Å²	60.9	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-46.8	-176.4	176.6	0	0	0	0	110.9	V226 K234	V226-V230 HydrophobicContact CG1-CB 4.24Å; V226-V230 HydrophobicContact CG1-CG1 4.13Å; V226-V230 HydrophobicContact CG1-CG2 3.85Å; V226-V230 VanDerWaalsContact O-CA 3.29Å; V226-V230 WeakPolarHBondContact O-CA 3.5Å; V226-V230 WeakPolarHBondContact O-CG2 3.19Å; V226-V230 PolarHBondContact O-N 2.86Å; V230-K234 HydrophobicContact CG1-CD 4.14Å; V230-K234 WeakPolarHBondContact O-CB 3.31Å; V230-K234 VanDerWaalsContact O-CG 3.29Å; V230-K234 WeakPolarHBondContact O-CG 3.38Å; V230-K234 PolarHBondContact O-N 3.31Å
231	D	65.3	Low	56.4	Low	103 Å²	103	66.6 Å²	66.6	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-74.8	-40.9	-172.6	-72.1	-26.8	0	0	0	110.8	D229 K234 K235	D229-D231 PolarHBondContact O-N 3.36Å; D229-D231 PolarHBondContact OD1-N 2.84Å; D231-K234 PolarHBondContact O-N 2.89Å; D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 VanDerWaalsContact O-CG 3.26Å; D231-K235 WeakPolarHBondContact O-CG 3.43Å; D231-K235 PolarHBondContact O-N 3.41Å
232	R	60.6	Low	56.6	Low	54 Å²	54	66.9 Å²	66.9	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-41.8	175.7	-164.6	172.2	-162.6	165.1	6.5	111.2	D229 K235 M236 N262 F263 E265	D229-R232 HydrophobicContact CB-CB 3.77Å; D229-R232 WeakPolarHBondContact OD1-CB 3.47Å; D229-R232 PolarHBondContact OD1-N 3.15Å; D229-R232 WeakPolarHBondContact OD2-CB 3.27Å; D229-R232 WeakPolarHBondContact OD2-CD 3.36Å; R232-K235 PolarHBondContact O-N 3.23Å; R232-M236 WeakPolarHBondContact O-CB 3.48Å; R232-M236 PolarHBondContact O-N 3.49Å; R232-N262 PolarHBondContact NH2-O 3.4Å; R232-F263 HydrophobicContact CB-CE1 4.32Å; R232-F263 HydrophobicContact CG-CD1 3.33Å; R232-F263 HydrophobicContact CG-CE1 3.35Å; R232-F263 WeakPolarHBondContact O-CE1 3.25Å; R232-E265 IonicContact CZ-OE2 3.26Å; R232-E265 VanDerWaalsContact CZ-OE2 3.26Å; R232-E265 IonicContact NH1-OE2 2.78Å; R232-E265 PolarHBondContact NH1-OE2 3.49Å; R232-E265 IonicContact NH2-OE2 2.84Å; R232-E265 PolarHBondContact NH2-OE2 3.07Å
233	T	53.6	Low	56.7	Low	2 Å²	2	65.1 Å²	65.1	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-40.9	175.4	-58.2	0	0	0	0	112.5	C225 V226 D229 M236 I237	C225-T233 HydrophobicContact CB-CG2 3.75Å; C225-T233 WeakPolarHBondContact CB-OG1 3.4Å; C225-T233 PolarHBondContact O-OG1 2.86Å; V226-T233 HydrophobicContact CB-CG2 4.48Å; V226-T233 HydrophobicContact CG2-CG2 3.55Å; V226-T233 PolarHBondContact N-OG1 3.19Å; D229-T233 VanDerWaalsContact O-CB 3.24Å; D229-T233 WeakPolarHBondContact O-CB 3.43Å; D229-T233 PolarHBondContact O-N 3.25Å; D229-T233 PolarHBondContact O-OG1 2.97Å; T233-M236 WeakPolarHBondContact O-CB 3.3Å; T233-M236 PolarHBondContact O-N 2.92Å; T233-I237 HydrophobicContact CG2-CD1 4.03Å; T233-I237 HydrophobicContact CG2-CG1 4.48Å; T233-I237 VanDerWaalsContact O-CG1 3.32Å; T233-I237 WeakPolarHBondContact O-CG1 3.27Å; T233-I237 PolarHBondContact O-N 3.32Å
234	K	59.2	Low	56.6	Low	116 Å²	116	67.1 Å²	67.1	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-46.8	172.6	-79.1	174.3	-176.9	170.5	0	111.5	V230 D231 M236 I237 L238	V230-K234 HydrophobicContact CG1-CD 4.14Å; V230-K234 WeakPolarHBondContact O-CB 3.31Å; V230-K234 VanDerWaalsContact O-CG 3.29Å; V230-K234 WeakPolarHBondContact O-CG 3.38Å; V230-K234 PolarHBondContact O-N 3.31Å; D231-K234 PolarHBondContact O-N 2.89Å; K234-M236 PolarHBondContact O-N 2.94Å; K234-I237 PolarHBondContact O-N 3.48Å; K234-L238 WeakPolarHBondContact O-CB 3.41Å; K234-L238 VanDerWaalsContact O-CG 3.28Å; K234-L238 WeakPolarHBondContact O-CG 3.14Å; K234-L238 PolarHBondContact O-N 3.43Å
235	K	62.1	Low	56.5	Low	140 Å²	140	68.2 Å²	68.2	61%	0.609	36%	0.359	S	S	*	.	H	α-helix	trans	-57.6	-39.8	175	-75.7	172.8	-177.9	176.6	0	111.1	D231 R232 L238 C239 F263	D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 VanDerWaalsContact O-CG 3.26Å; D231-K235 WeakPolarHBondContact O-CG 3.43Å; D231-K235 PolarHBondContact O-N 3.41Å; R232-K235 PolarHBondContact O-N 3.23Å; K235-L238 PolarHBondContact O-N 2.86Å; K235-C239 WeakPolarHBondContact O-CB 3.02Å; K235-C239 PolarHBondContact O-N 3.4Å; K235-F263 HydrophobicContact CB-CE1 4.3Å; K235-F263 HydrophobicContact CB-CZ 3.94Å
236	M	58.3	Low	56.4	Low	9 Å²	9	69.8 Å²	69.8	4%	0.044	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-45.4	178	-166.7	162.2	55.5	0	0	112.6	R232 T233 K234 L238 C239 L240 F263 C269 L273	R232-M236 WeakPolarHBondContact O-CB 3.48Å; R232-M236 PolarHBondContact O-N 3.49Å; T233-M236 WeakPolarHBondContact O-CB 3.3Å; T233-M236 PolarHBondContact O-N 2.92Å; K234-M236 PolarHBondContact O-N 2.94Å; M236-L238 VanDerWaalsContact C-N 3.32Å; M236-L238 PolarHBondContact O-N 3.44Å; M236-C239 PolarHBondContact O-N 2.83Å; M236-L240 WeakPolarHBondContact O-CB 3.38Å; M236-L240 WeakPolarHBondContact O-CG 3.34Å; M236-L240 PolarHBondContact O-N 3.49Å; M236-F263 HydrophobicContact CB-CD1 4.22Å; M236-F263 HydrophobicContact CB-CD2 3.77Å; M236-F263 HydrophobicContact CB-CE1 3.82Å; M236-F263 HydrophobicContact CB-CE2 3.42Å; M236-F263 VanDerWaalsContact CB-CE2 3.42Å; M236-F263 HydrophobicContact CB-CG 4.24Å; M236-F263 HydrophobicContact CB-CZ 3.44Å; M236-F263 VanDerWaalsContact CB-CZ 3.44Å; M236-F263 HydrophobicContact CG-CD1 4.48Å; M236-F263 HydrophobicContact CG-CD2 3.4Å; M236-F263 VanDerWaalsContact CG-CD2 3.4Å; M236-F263 HydrophobicContact CG-CE1 4.47Å; M236-F263 HydrophobicContact CG-CE2 3.48Å; M236-F263 VanDerWaalsContact CG-CE2 3.48Å; M236-F263 HydrophobicContact CG-CG 4.02Å; M236-F263 HydrophobicContact CG-CZ 4.05Å; M236-F263 VanDerWaalsContact N-CZ 3.27Å; M236-F263 HydrophobicContact SD-CB 3.88Å; M236-F263 HydrophobicContact SD-CD1 4.09Å; M236-F263 HydrophobicContact SD-CD2 3.46Å; M236-F263 WeakPolarHBondContact SD-CD2 3.29Å; M236-F263 HydrophobicContact SD-CE2 4.14Å; M236-F263 HydrophobicContact SD-CG 3.51Å; M236-F263 VanDerWaalsContact SD-CG 3.51Å; M236-C269 HydrophobicContact CE-CB 3.91Å; M236-L273 HydrophobicContact CE-CD1 3.18Å; M236-L273 HydrophobicContact CE-CG 4.24Å; M236-L273 HydrophobicContact CG-CD1 3.39Å; M236-L273 HydrophobicContact SD-CD1 3.18Å; M236-L273 WeakPolarHBondContact SD-CD1 3.38Å
237	I	57.4	Low	56.1	Low	40 Å²	40	74.6 Å²	74.6	21%	0.205	39%	0.393	C	S	.	.	H	α-helix	trans	-60.6	-43.2	173.7	-69.5	167.8	0	0	0	110.6	L222 T233 K234 L240 R241	L222-I237 HydrophobicContact CD2-CD1 4.49Å; L222-I237 HydrophobicContact CD2-CG1 4.38Å; T233-I237 HydrophobicContact CG2-CD1 4.03Å; T233-I237 HydrophobicContact CG2-CG1 4.48Å; T233-I237 VanDerWaalsContact O-CG1 3.32Å; T233-I237 WeakPolarHBondContact O-CG1 3.27Å; T233-I237 PolarHBondContact O-N 3.32Å; K234-I237 PolarHBondContact O-N 3.48Å; I237-L240 PolarHBondContact O-N 2.73Å; I237-R241 WeakPolarHBondContact O-CB 3.02Å; I237-R241 VanDerWaalsContact O-CG 3.25Å; I237-R241 WeakPolarHBondContact O-CG 3.09Å; I237-R241 PolarHBondContact O-N 3.23Å
238	L	58.8	Low	56.1	Low	106 Å²	106	73.2 Å²	73.2	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-63.7	-45	176.2	-75.3	171.4	0	0	0	111.3	K234 K235 M236 L240 R241 S242	K234-L238 WeakPolarHBondContact O-CB 3.41Å; K234-L238 VanDerWaalsContact O-CG 3.28Å; K234-L238 WeakPolarHBondContact O-CG 3.14Å; K234-L238 PolarHBondContact O-N 3.43Å; K235-L238 PolarHBondContact O-N 2.86Å; M236-L238 VanDerWaalsContact C-N 3.32Å; M236-L238 PolarHBondContact O-N 3.44Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.39Å; L238-R241 CarbonylContact O-C 3.6Å; L238-R241 WeakPolarHBondContact O-CA 3.43Å; L238-R241 WeakPolarHBondContact O-CB 3.46Å; L238-R241 PolarHBondContact O-N 3.47Å; L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 PolarHBondContact O-OG 3.19Å
239	C	59.7	Low	55.6	Low	27 Å²	27	68.7 Å²	68.7	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-42.2	177.4	-167.8	0	0	0	0	111.7	K235 M236 R241 S242 A243 C259	K235-C239 WeakPolarHBondContact O-CB 3.02Å; K235-C239 PolarHBondContact O-N 3.4Å; M236-C239 PolarHBondContact O-N 2.83Å; C239-R241 VanDerWaalsContact C-N 3.32Å; C239-R241 PolarHBondContact O-N 3.44Å; C239-S242 WeakPolarHBondContact CA-OG 3.46Å; C239-S242 PolarHBondContact O-N 3.05Å; C239-S242 PolarHBondContact O-OG 2.65Å; C239-A243 WeakPolarHBondContact O-CB 3.47Å; C239-A243 PolarHBondContact O-N 3.06Å; C239-C259 HydrophobicContact CB-CB 3.99Å; C239-C259 WeakPolarHBondContact CB-SG 3.24Å; C239-C259 WeakPolarHBondContact SG-CA 3.42Å; C239-C259 WeakPolarHBondContact SG-CB 3.02Å; C239-C259 CovalentContact SG-SG 2.02Å; C239-C259 PolarHBondContact SG-SG 2.88Å
240	L	55.6	Low	55.5	Low	29 Å²	29	73.6 Å²	73.6	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-69.1	-27.1	173.1	-72.1	175.6	0	0	0	113.3	M236 I237 L238 K244 R256 L273	M236-L240 WeakPolarHBondContact O-CB 3.38Å; M236-L240 WeakPolarHBondContact O-CG 3.34Å; M236-L240 PolarHBondContact O-N 3.49Å; I237-L240 PolarHBondContact O-N 2.73Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.39Å; L240-K244 VanDerWaalsContact O-CG 3.31Å; L240-K244 WeakPolarHBondContact O-CG 3.24Å; L240-R256 HydrophobicContact CD2-CG 4.29Å; L240-L273 HydrophobicContact CD1-CD1 3.79Å; L240-L273 HydrophobicContact CD1-CD2 3.51Å; L240-L273 HydrophobicContact CD1-CG 4.18Å
241	R	53.6	Low	55.5	Low	159 Å²	159	75.8 Å²	75.8	60%	0.6	39%	0.392	S	S	*	.	H	α-helix	trans	-77.4	-40	174.2	-77.2	174.4	-177.6	-177.8	2.5	111.8	I237 L238 C239 A243 K244	I237-R241 WeakPolarHBondContact O-CB 3.02Å; I237-R241 VanDerWaalsContact O-CG 3.25Å; I237-R241 WeakPolarHBondContact O-CG 3.09Å; I237-R241 PolarHBondContact O-N 3.23Å; L238-R241 CarbonylContact O-C 3.6Å; L238-R241 WeakPolarHBondContact O-CA 3.43Å; L238-R241 WeakPolarHBondContact O-CB 3.46Å; L238-R241 PolarHBondContact O-N 3.47Å; C239-R241 VanDerWaalsContact C-N 3.32Å; C239-R241 PolarHBondContact O-N 3.44Å; R241-A243 VanDerWaalsContact C-N 3.34Å; R241-K244 WeakPolarHBondContact O-CB 3.26Å; R241-K244 PolarHBondContact O-N 3.24Å; R241-K244 VanDerWaalsContact O-N 3.12Å
242	S	53.2	Low	54.9	Low	72 Å²	72	71.2 Å²	71.2	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-37.4	176.1	57.2	0	0	0	0	111.2	L238 C239 K244 A245	L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 PolarHBondContact O-OG 3.19Å; C239-S242 WeakPolarHBondContact CA-OG 3.46Å; C239-S242 PolarHBondContact O-N 3.05Å; C239-S242 PolarHBondContact O-OG 2.65Å; S242-K244 PolarHBondContact O-N 2.72Å; S242-A245 WeakPolarHBondContact O-CB 3.09Å; S242-A245 PolarHBondContact O-N 2.88Å
243	A	50.2	Low	55	Low	2 Å²	2	69.2 Å²	69.2	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-33.7	170.3	0	0	0	0	0	111.7	C239 R241 A245 T246 L252 A255	C239-A243 WeakPolarHBondContact O-CB 3.47Å; C239-A243 PolarHBondContact O-N 3.06Å; R241-A243 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.27Å; A243-T246 PolarHBondContact O-N 2.86Å; A243-T246 PolarHBondContact O-OG1 3Å; A243-L252 HydrophobicContact CB-CD1 4.08Å; A243-L252 WeakPolarHBondContact O-CD1 3.22Å; A243-A255 HydrophobicContact CB-CB 3.59Å
244	K	47.1	Very low	55.4	Low	82 Å²	82	72 Å²	72	36%	0.357	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11	178.4	-69.7	168.6	-173.3	179.4	0	114.6	L240 R241 S242 T246	L240-K244 VanDerWaalsContact O-CG 3.31Å; L240-K244 WeakPolarHBondContact O-CG 3.24Å; R241-K244 WeakPolarHBondContact O-CB 3.26Å; R241-K244 PolarHBondContact O-N 3.24Å; R241-K244 VanDerWaalsContact O-N 3.12Å; S242-K244 PolarHBondContact O-N 2.72Å; K244-T246 VanDerWaalsContact C-N 3.3Å
245	A	49.3	Very low	55.7	Low	81 Å²	81	67.7 Å²	67.7	67%	0.669	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.1	175.8	0	0	0	0	0	112.7	S242 A243	S242-A245 WeakPolarHBondContact O-CB 3.09Å; S242-A245 PolarHBondContact O-N 2.88Å; A243-A245 PolarHBondContact O-N 3.27Å
246	T	49.9	Very low	55.7	Low	36 Å²	36	61.8 Å²	61.8	22%	0.221	34%	0.341	C	S	.	.			trans	-95.1	124.1	177.8	60.8	0	0	0	0	110.1	A243 K244 S248 E251 L252	A243-T246 PolarHBondContact O-N 2.86Å; A243-T246 PolarHBondContact O-OG1 3Å; K244-T246 VanDerWaalsContact C-N 3.3Å; T246-S248 VanDerWaalsContact C-N 3.26Å; T246-S248 PolarHBondContact O-N 2.65Å; T246-E251 WeakPolarHBondContact CB-OE2 3.18Å; T246-E251 HydrophobicContact CG2-CB 4.06Å; T246-L252 PolarHBondContact OG1-N 2.98Å
247	D	47	Very low	56.1	Low	149 Å²	149	65.5 Å²	65.5	80%	0.797	36%	0.355	S	S	*	.			trans	-76.6	-12.5	-179.9	-63.2	-31.3	0	0	0	112.7
248	S	54.1	Low	56.6	Low	44 Å²	44	66.5 Å²	66.5	31%	0.308	37%	0.366	S	S	.	.			trans	-95.6	131.6	-178.8	94.1	0	0	0	0	112.6	T246 E250 E251 L252	T246-S248 VanDerWaalsContact C-N 3.26Å; T246-S248 PolarHBondContact O-N 2.65Å; S248-E250 PolarHBondContact O-N 2.83Å; S248-E251 PolarHBondContact O-N 3.05Å; S248-E251 WeakPolarHBondContact OG-CB 3.33Å; S248-E251 VanDerWaalsContact OG-CD 3.27Å; S248-E251 WeakPolarHBondContact OG-CG 3.27Å; S248-E251 PolarHBondContact OG-N 3.06Å; S248-E251 VanDerWaalsContact OG-N 3.1Å; S248-L252 WeakPolarHBondContact O-CB 3.46Å; S248-L252 PolarHBondContact O-N 2.98Å
249	S	51.8	Low	56.9	Low	66 Å²	66	61.7 Å²	61.7	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-56.7	-35.5	176.7	-179.7	0	0	0	0	112.3	C253	S249-C253 WeakPolarHBondContact O-CB 3.08Å; S249-C253 PolarHBondContact O-N 3.23Å
250	E	59.4	Low	57.2	Low	165 Å²	165	63.5 Å²	63.5	77%	0.771	34%	0.344	S	S	*	.	H	α-helix	trans	-73	-43.9	-179.6	-168.6	167.4	-164.5	0	0	112.3	S248 C253 S254	S248-E250 PolarHBondContact O-N 2.83Å; E250-C253 PolarHBondContact O-N 2.57Å; E250-S254 WeakPolarHBondContact O-CB 3.31Å; E250-S254 PolarHBondContact O-N 2.79Å
251	E	58.7	Low	57.8	Low	109 Å²	109	65.4 Å²	65.4	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-41.2	174.6	-74.9	168.7	-167.7	0	0	111.6	T246 S248 S254 A255	T246-E251 WeakPolarHBondContact CB-OE2 3.18Å; T246-E251 HydrophobicContact CG2-CB 4.06Å; S248-E251 PolarHBondContact O-N 3.05Å; S248-E251 WeakPolarHBondContact OG-CB 3.33Å; S248-E251 VanDerWaalsContact OG-CD 3.27Å; S248-E251 WeakPolarHBondContact OG-CG 3.27Å; S248-E251 PolarHBondContact OG-N 3.06Å; S248-E251 VanDerWaalsContact OG-N 3.1Å; E251-S254 PolarHBondContact O-N 3.49Å; E251-A255 VanDerWaalsContact O-CB 3.25Å; E251-A255 WeakPolarHBondContact O-CB 3.43Å; E251-A255 PolarHBondContact O-N 2.9Å
252	L	53.7	Low	58.4	Low	7 Å²	7	62.9 Å²	62.9	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-44	175.2	179.7	106.1	0	0	0	111	A243 T246 S248 A255 R256 I377	A243-L252 HydrophobicContact CB-CD1 4.08Å; A243-L252 WeakPolarHBondContact O-CD1 3.22Å; T246-L252 PolarHBondContact OG1-N 2.98Å; S248-L252 WeakPolarHBondContact O-CB 3.46Å; S248-L252 PolarHBondContact O-N 2.98Å; L252-A255 PolarHBondContact O-N 3.5Å; L252-R256 WeakPolarHBondContact O-CB 3.47Å; L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.37Å; L252-R256 PolarHBondContact O-N 3.43Å; L252-I377 HydrophobicContact CD1-CG2 3.73Å; L252-I377 HydrophobicContact CD2-CB 3.8Å; L252-I377 HydrophobicContact CD2-CG1 4.31Å; L252-I377 HydrophobicContact CD2-CG2 3.23Å; L252-I377 WeakPolarHBondContact CD2-O 3.13Å; L252-I377 HydrophobicContact CG-CG2 4.07Å
253	C	61.5	Low	58.8	Low	12 Å²	12	60 Å²	60	8%	0.081	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-40	175.9	-99.9	0	0	0	0	112.1	S249 E250 R256 R257 S380 C382	S249-C253 WeakPolarHBondContact O-CB 3.08Å; S249-C253 PolarHBondContact O-N 3.23Å; E250-C253 PolarHBondContact O-N 2.57Å; C253-R256 PolarHBondContact O-N 3.4Å; C253-R257 WeakPolarHBondContact O-CB 3.4Å; C253-R257 WeakPolarHBondContact O-CG 3.25Å; C253-R257 PolarHBondContact O-N 3.06Å; C253-S380 PolarHBondContact SG-OG 3.19Å; C253-C382 WeakPolarHBondContact CA-SG 3.23Å; C253-C382 HydrophobicContact CB-CB 3.94Å; C253-C382 WeakPolarHBondContact CB-SG 3.48Å; C253-C382 VanDerWaalsContact SG-CA 3.56Å; C253-C382 WeakPolarHBondContact SG-CB 3.42Å; C253-C382 CovalentContact SG-SG 2.07Å; C253-C382 PolarHBondContact SG-SG 3.02Å
254	S	63.7	Low	59.3	Low	60 Å²	60	66.4 Å²	66.4	42%	0.42	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-50.7	173.6	-172.3	0	0	0	0	110.5	E250 E251 R256 R257 S258	E250-S254 WeakPolarHBondContact O-CB 3.31Å; E250-S254 PolarHBondContact O-N 2.79Å; E251-S254 PolarHBondContact O-N 3.49Å; S254-R256 VanDerWaalsContact C-N 3.34Å; S254-R256 PolarHBondContact O-N 3.4Å; S254-R257 CarbonylContact O-C 3.56Å; S254-R257 WeakPolarHBondContact O-CB 3.38Å; S254-R257 PolarHBondContact O-N 3.17Å; S254-R257 VanDerWaalsContact O-N 3.11Å; S254-S258 WeakPolarHBondContact O-CB 3.04Å; S254-S258 PolarHBondContact O-N 3.39Å; S254-S258 PolarHBondContact O-OG 3.2Å; S254-S258 VanDerWaalsContact O-OG 3.1Å
255	A	64	Low	59.9	Low	26 Å²	26	70.1 Å²	70.1	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-58.3	-44.2	176.1	0	0	0	0	0	111.4	A243 E251 L252 R257 S258 C259	A243-A255 HydrophobicContact CB-CB 3.59Å; E251-A255 VanDerWaalsContact O-CB 3.25Å; E251-A255 WeakPolarHBondContact O-CB 3.43Å; E251-A255 PolarHBondContact O-N 2.9Å; L252-A255 PolarHBondContact O-N 3.5Å; A255-R257 PolarHBondContact O-N 3.2Å; A255-S258 PolarHBondContact O-N 2.04Å; A255-C259 WeakPolarHBondContact O-CB 3.29Å; A255-C259 PolarHBondContact O-N 3.25Å; A255-C259 PolarHBondContact O-SG 2.92Å
256	R	63.1	Low	60.6	Low	16 Å²	16	67.5 Å²	67.5	6%	0.06	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-41.1	175	-76	177.8	70.4	174.4	-1.8	112.4	L240 L252 C253 S254 C259 R260 L277 I377 L378	L240-R256 HydrophobicContact CD2-CG 4.29Å; L252-R256 WeakPolarHBondContact O-CB 3.47Å; L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.37Å; L252-R256 PolarHBondContact O-N 3.43Å; C253-R256 PolarHBondContact O-N 3.4Å; S254-R256 VanDerWaalsContact C-N 3.34Å; S254-R256 PolarHBondContact O-N 3.4Å; R256-C259 PolarHBondContact O-N 3.11Å; R256-R260 WeakPolarHBondContact O-CB 3.21Å; R256-R260 WeakPolarHBondContact O-CG 3.26Å; R256-R260 PolarHBondContact O-N 2.91Å; R256-L277 VanDerWaalsContact NH2-CD1 3.3Å; R256-I377 PolarHBondContact NH1-O 3.09Å; R256-I377 VanDerWaalsContact NH1-O 3.1Å; R256-L378 PolarHBondContact NH1-O 3.09Å
257	R	67.1	Low	61.3	Low	87 Å²	87	71.7 Å²	71.7	33%	0.328	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-46	173.9	-74.2	179.3	-162.2	150.5	6.1	111.1	C253 S254 A255 C259 R260 A261 C382 S384	C253-R257 WeakPolarHBondContact O-CB 3.4Å; C253-R257 WeakPolarHBondContact O-CG 3.25Å; C253-R257 PolarHBondContact O-N 3.06Å; S254-R257 CarbonylContact O-C 3.56Å; S254-R257 WeakPolarHBondContact O-CB 3.38Å; S254-R257 PolarHBondContact O-N 3.17Å; S254-R257 VanDerWaalsContact O-N 3.11Å; A255-R257 PolarHBondContact O-N 3.2Å; R257-C259 VanDerWaalsContact C-N 3.33Å; R257-C259 PolarHBondContact O-N 3.18Å; R257-R260 PolarHBondContact O-N 2.92Å; R257-A261 WeakPolarHBondContact O-CB 3.34Å; R257-A261 PolarHBondContact O-N 3.31Å; R257-C382 HydrophobicContact CG-CB 4.35Å; R257-C382 PolarHBondContact NE-O 3.16Å; R257-C382 PolarHBondContact NH2-O 3.38Å; R257-S384 PolarHBondContact NH2-O 3.41Å
258	S	67.8	Low	62	Low	62 Å²	62	68.4 Å²	68.4	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-42.2	175.5	-61.2	0	0	0	0	111.3	S254 A255 A261 N262	S254-S258 WeakPolarHBondContact O-CB 3.04Å; S254-S258 PolarHBondContact O-N 3.39Å; S254-S258 PolarHBondContact O-OG 3.2Å; S254-S258 VanDerWaalsContact O-OG 3.1Å; A255-S258 PolarHBondContact O-N 2.04Å; S258-A261 PolarHBondContact O-N 2.86Å; S258-N262 PolarHBondContact O-N 3.09Å; S258-N262 VanDerWaalsContact O-N 3.09Å; S258-N262 PolarHBondContact O-ND2 3.11Å
259	C	65.4	Low	62.2	Low	4 Å²	4	66.3 Å²	66.3	3%	0.027	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-56.5	171.4	-58.4	0	0	0	0	109.2	C239 A255 R256 R257 A261 N262 F263	C239-C259 HydrophobicContact CB-CB 3.99Å; C239-C259 WeakPolarHBondContact CB-SG 3.24Å; C239-C259 WeakPolarHBondContact SG-CA 3.42Å; C239-C259 WeakPolarHBondContact SG-CB 3.02Å; C239-C259 CovalentContact SG-SG 2.02Å; C239-C259 PolarHBondContact SG-SG 2.88Å; A255-C259 WeakPolarHBondContact O-CB 3.29Å; A255-C259 PolarHBondContact O-N 3.25Å; A255-C259 PolarHBondContact O-SG 2.92Å; R256-C259 PolarHBondContact O-N 3.11Å; R257-C259 VanDerWaalsContact C-N 3.33Å; R257-C259 PolarHBondContact O-N 3.18Å; C259-A261 VanDerWaalsContact C-N 3.31Å; C259-A261 PolarHBondContact O-N 3.05Å; C259-N262 WeakPolarHBondContact O-CB 3.48Å; C259-N262 PolarHBondContact O-N 2.83Å; C259-F263 HydrophobicContact CB-CD2 4.43Å; C259-F263 HydrophobicContact CB-CE2 4.29Å; C259-F263 WeakPolarHBondContact O-CD2 3.49Å; C259-F263 WeakPolarHBondContact O-CE2 3.47Å; C259-F263 PolarHBondContact O-N 3.47Å
260	R	65.8	Low	62.7	Low	66 Å²	66	64.2 Å²	64.2	25%	0.249	33%	0.33	C	S	.	.	H	α-helix	trans	-54.7	-43.1	179.8	-79.1	-177.3	177.2	165.8	2.2	112.8	R256 R257 N262 F263 H264 D274 D381	R256-R260 WeakPolarHBondContact O-CB 3.21Å; R256-R260 WeakPolarHBondContact O-CG 3.26Å; R256-R260 PolarHBondContact O-N 2.91Å; R257-R260 PolarHBondContact O-N 2.92Å; R260-N262 VanDerWaalsContact C-N 3.32Å; R260-N262 PolarHBondContact O-N 3.03Å; R260-F263 CarbonylContact O-C 3.27Å; R260-F263 VanDerWaalsContact O-C 3.27Å; R260-F263 WeakPolarHBondContact O-CA 3.43Å; R260-F263 PolarHBondContact O-N 3.09Å; R260-H264 PolarHBondContact O-N 3.11Å; R260-D274 IonicContact CZ-OD1 3.14Å; R260-D274 IonicContact CZ-OD2 2.82Å; R260-D274 IonicContact NE-OD1 2.99Å; R260-D274 IonicContact NE-OD2 3.15Å; R260-D274 IonicContact NH2-OD1 3.5Å; R260-D274 PolarHBondContact NH2-OD1 3.44Å; R260-D274 IonicContact NH2-OD2 3.97Å; R260-D274 PolarHBondContact NH2-OD2 2.8Å; R260-D381 PolarHBondContact NH1-O 3.19Å
261	A	67.7	Low	62.7	Low	68 Å²	68	59.1 Å²	59.1	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-60.1	-42.4	177.8	0	0	0	0	0	111.5	R257 S258 C259 F263 H264	R257-A261 WeakPolarHBondContact O-CB 3.34Å; R257-A261 PolarHBondContact O-N 3.31Å; S258-A261 PolarHBondContact O-N 2.86Å; C259-A261 VanDerWaalsContact C-N 3.31Å; C259-A261 PolarHBondContact O-N 3.05Å; A261-F263 PolarHBondContact O-N 3.32Å; A261-H264 PolarHBondContact O-N 2.9Å
262	N	65	Low	62.7	Low	106 Å²	106	57.8 Å²	57.8	57%	0.567	30%	0.303	S	S	*	.	H	α-helix	trans	-65.4	-18.6	174.8	-66.6	-25.8	0	0	0	113.2	R232 S258 C259 R260	R232-N262 PolarHBondContact NH2-O 3.4Å; S258-N262 PolarHBondContact O-N 3.09Å; S258-N262 VanDerWaalsContact O-N 3.09Å; S258-N262 PolarHBondContact O-ND2 3.11Å; C259-N262 WeakPolarHBondContact O-CB 3.48Å; C259-N262 PolarHBondContact O-N 2.83Å; R260-N262 VanDerWaalsContact C-N 3.32Å; R260-N262 PolarHBondContact O-N 3.03Å
263	F	62.2	Low	62.9	Low	11 Å²	11	58.3 Å²	58.3	5%	0.048	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	14.4	-177.2	-55.5	-63.6	0	0	0	113.8	R232 K235 M236 C259 R260 A261 E265 D266	R232-F263 HydrophobicContact CB-CE1 4.32Å; R232-F263 HydrophobicContact CG-CD1 3.33Å; R232-F263 HydrophobicContact CG-CE1 3.35Å; R232-F263 WeakPolarHBondContact O-CE1 3.25Å; K235-F263 HydrophobicContact CB-CE1 4.3Å; K235-F263 HydrophobicContact CB-CZ 3.94Å; M236-F263 HydrophobicContact CB-CD1 4.22Å; M236-F263 HydrophobicContact CB-CD2 3.77Å; M236-F263 HydrophobicContact CB-CE1 3.82Å; M236-F263 HydrophobicContact CB-CE2 3.42Å; M236-F263 VanDerWaalsContact CB-CE2 3.42Å; M236-F263 HydrophobicContact CB-CG 4.24Å; M236-F263 HydrophobicContact CB-CZ 3.44Å; M236-F263 VanDerWaalsContact CB-CZ 3.44Å; M236-F263 HydrophobicContact CG-CD1 4.48Å; M236-F263 HydrophobicContact CG-CD2 3.4Å; M236-F263 VanDerWaalsContact CG-CD2 3.4Å; M236-F263 HydrophobicContact CG-CE1 4.47Å; M236-F263 HydrophobicContact CG-CE2 3.48Å; M236-F263 VanDerWaalsContact CG-CE2 3.48Å; M236-F263 HydrophobicContact CG-CG 4.02Å; M236-F263 HydrophobicContact CG-CZ 4.05Å; M236-F263 VanDerWaalsContact N-CZ 3.27Å; M236-F263 HydrophobicContact SD-CB 3.88Å; M236-F263 HydrophobicContact SD-CD1 4.09Å; M236-F263 HydrophobicContact SD-CD2 3.46Å; M236-F263 WeakPolarHBondContact SD-CD2 3.29Å; M236-F263 HydrophobicContact SD-CE2 4.14Å; M236-F263 HydrophobicContact SD-CG 3.51Å; M236-F263 VanDerWaalsContact SD-CG 3.51Å; C259-F263 HydrophobicContact CB-CD2 4.43Å; C259-F263 HydrophobicContact CB-CE2 4.29Å; C259-F263 WeakPolarHBondContact O-CD2 3.49Å; C259-F263 WeakPolarHBondContact O-CE2 3.47Å; C259-F263 PolarHBondContact O-N 3.47Å; R260-F263 CarbonylContact O-C 3.27Å; R260-F263 VanDerWaalsContact O-C 3.27Å; R260-F263 WeakPolarHBondContact O-CA 3.43Å; R260-F263 PolarHBondContact O-N 3.09Å; A261-F263 PolarHBondContact O-N 3.32Å; F263-E265 PolarHBondContact O-N 3.42Å; F263-E265 VanDerWaalsContact O-N 3.16Å; F263-D266 PolarHBondContact O-N 2.86Å
264	H	60.4	Low	62.8	Low	138 Å²	138	60.1 Å²	60.1	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.4	-175.6	-168.6	-46.1	0	0	0	112.8	R260 A261 D266 I267	R260-H264 PolarHBondContact O-N 3.11Å; A261-H264 PolarHBondContact O-N 2.9Å; H264-D266 VanDerWaalsContact C-N 3.26Å; H264-D266 PolarHBondContact O-N 2.95Å; H264-I267 WeakPolarHBondContact O-CG1 3.38Å
265	E	61.1	Low	62.6	Low	159 Å²	159	59.8 Å²	59.8	74%	0.743	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.9	179.3	-60.9	169.6	162.1	0	0	112.9	R232 F263	R232-E265 IonicContact CZ-OE2 3.26Å; R232-E265 VanDerWaalsContact CZ-OE2 3.26Å; R232-E265 IonicContact NH1-OE2 2.78Å; R232-E265 PolarHBondContact NH1-OE2 3.49Å; R232-E265 IonicContact NH2-OE2 2.84Å; R232-E265 PolarHBondContact NH2-OE2 3.07Å; F263-E265 PolarHBondContact O-N 3.42Å; F263-E265 VanDerWaalsContact O-N 3.16Å
266	D	63.5	Low	62.1	Low	26 Å²	26	59.4 Å²	59.4	14%	0.139	30%	0.303	C	S	.	.			trans	-105.2	71.6	175.1	-164.5	-17.7	0	0	0	110.7	F263 H264 Y268 C269 S270	F263-D266 PolarHBondContact O-N 2.86Å; H264-D266 VanDerWaalsContact C-N 3.26Å; H264-D266 PolarHBondContact O-N 2.95Å; D266-Y268 PolarHBondContact O-N 3.03Å; D266-Y268 PolarHBondContact OD1-N 2.7Å; D266-C269 HydrophobicContact CB-CB 4.31Å; D266-C269 VanDerWaalsContact CG-CB 3.5Å; D266-C269 PolarHBondContact O-N 3.17Å; D266-C269 WeakPolarHBondContact OD1-CB 3.25Å; D266-C269 PolarHBondContact OD1-N 3.1Å; D266-C269 WeakPolarHBondContact OD2-CB 3.33Å; D266-C269 PolarHBondContact OD2-SG 2.84Å; D266-C269 VanDerWaalsContact OD2-SG 3.34Å; D266-S270 WeakPolarHBondContact O-CB 3.38Å; D266-S270 PolarHBondContact O-N 3.16Å
267	I	63.4	Low	61.9	Low	124 Å²	124	59.6 Å²	59.6	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-53.3	-36.8	177.5	-59	174.9	0	0	0	110.8	H264 S271	H264-I267 WeakPolarHBondContact O-CG1 3.38Å; I267-S271 VanDerWaalsContact O-CB 3.26Å; I267-S271 WeakPolarHBondContact O-CB 3.49Å; I267-S271 PolarHBondContact O-N 3.34Å
268	Y	62.1	Low	61.7	Low	80 Å²	80	62.2 Å²	62.2	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-51.3	-179.5	-177.6	-92	0	0	0	110.9	D224 D266 S271 R272	D224-Y268 HydrophobicContact CB-CE1 4.42Å; D266-Y268 PolarHBondContact O-N 3.03Å; D266-Y268 PolarHBondContact OD1-N 2.7Å; Y268-S271 PolarHBondContact O-N 2.73Å; Y268-R272 HydrophobicContact CD1-CG 4.35Å; Y268-R272 HydrophobicContact CE1-CG 3.99Å; Y268-R272 WeakPolarHBondContact O-CG 3.17Å; Y268-R272 PolarHBondContact O-N 2.91Å
269	C	59.3	Low	61.2	Low	1 Å²	1	61.9 Å²	61.9	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-74.1	-35.3	-176.3	-77	0	0	0	0	114.6	C225 M236 D266 S271 R272 L273	C225-C269 WeakPolarHBondContact CA-SG 3.41Å; C225-C269 HydrophobicContact CB-CB 3.78Å; C225-C269 WeakPolarHBondContact CB-SG 3.12Å; C225-C269 WeakPolarHBondContact SG-CA 3.41Å; C225-C269 WeakPolarHBondContact SG-CB 3.49Å; C225-C269 CovalentContact SG-SG 2.03Å; C225-C269 PolarHBondContact SG-SG 3.5Å; M236-C269 HydrophobicContact CE-CB 3.91Å; D266-C269 HydrophobicContact CB-CB 4.31Å; D266-C269 VanDerWaalsContact CG-CB 3.5Å; D266-C269 PolarHBondContact O-N 3.17Å; D266-C269 WeakPolarHBondContact OD1-CB 3.25Å; D266-C269 PolarHBondContact OD1-N 3.1Å; D266-C269 WeakPolarHBondContact OD2-CB 3.33Å; D266-C269 PolarHBondContact OD2-SG 2.84Å; D266-C269 VanDerWaalsContact OD2-SG 3.34Å; C269-S271 VanDerWaalsContact C-N 3.35Å; C269-R272 PolarHBondContact O-N 3.41Å; C269-L273 PolarHBondContact O-N 2.95Å; C269-L273 VanDerWaalsContact O-N 3.15Å
270	S	61.2	Low	60.7	Low	21 Å²	21	62 Å²	62	15%	0.147	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-47	170.3	-172	0	0	0	0	111.1	D266 R272 L273 D274	D266-S270 WeakPolarHBondContact O-CB 3.38Å; D266-S270 PolarHBondContact O-N 3.16Å; S270-R272 PolarHBondContact O-N 3.47Å; S270-L273 PolarHBondContact O-N 2.89Å; S270-D274 PolarHBondContact O-N 3.08Å; S270-D274 VanDerWaalsContact O-N 3.14Å
271	S	60.8	Low	60.3	Low	59 Å²	59	59.3 Å²	59.3	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-39.9	177.5	174.7	0	0	0	0	113.2	I267 Y268 C269 L273 D274 D275	I267-S271 VanDerWaalsContact O-CB 3.26Å; I267-S271 WeakPolarHBondContact O-CB 3.49Å; I267-S271 PolarHBondContact O-N 3.34Å; Y268-S271 PolarHBondContact O-N 2.73Å; C269-S271 VanDerWaalsContact C-N 3.35Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 3.37Å; S271-D274 WeakPolarHBondContact O-CB 3.48Å; S271-D274 PolarHBondContact O-N 3.11Å; S271-D275 PolarHBondContact O-N 3.38Å
272	R	57.8	Low	60.1	Low	81 Å²	81	59.5 Å²	59.5	31%	0.306	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-31.2	178.1	-71.5	-53.9	-171.2	-165.5	0.5	113.4	K221 Y268 C269 S270 D275 V276	K221-R272 HydrophobicContact CB-CB 4.42Å; Y268-R272 HydrophobicContact CD1-CG 4.35Å; Y268-R272 HydrophobicContact CE1-CG 3.99Å; Y268-R272 WeakPolarHBondContact O-CG 3.17Å; Y268-R272 PolarHBondContact O-N 2.91Å; C269-R272 PolarHBondContact O-N 3.41Å; S270-R272 PolarHBondContact O-N 3.47Å; R272-D275 IonicContact NH1-OD2 3.59Å; R272-D275 PolarHBondContact NH1-OD2 3.36Å; R272-D275 VanDerWaalsContact NH1-OD2 3.14Å; R272-D275 WeakPolarHBondContact O-CB 3.34Å; R272-V276 WeakPolarHBondContact O-CG2 3.42Å; R272-V276 PolarHBondContact O-N 2.87Å
273	L	57.9	Low	60	Low	17 Å²	17	55.2 Å²	55.2	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-40.5	170.9	-82.9	167.2	0	0	0	112.3	L222 M236 L240 C269 S270 S271 D275 V276 L277	L222-L273 HydrophobicContact CD2-CD2 3.39Å; L222-L273 HydrophobicContact CD2-CG 4.13Å; M236-L273 HydrophobicContact CE-CD1 3.18Å; M236-L273 HydrophobicContact CE-CG 4.24Å; M236-L273 HydrophobicContact CG-CD1 3.39Å; M236-L273 HydrophobicContact SD-CD1 3.18Å; M236-L273 WeakPolarHBondContact SD-CD1 3.38Å; L240-L273 HydrophobicContact CD1-CD1 3.79Å; L240-L273 HydrophobicContact CD1-CD2 3.51Å; L240-L273 HydrophobicContact CD1-CG 4.18Å; C269-L273 PolarHBondContact O-N 2.95Å; C269-L273 VanDerWaalsContact O-N 3.15Å; S270-L273 PolarHBondContact O-N 2.89Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 3.37Å; L273-D275 VanDerWaalsContact C-N 3.29Å; L273-D275 PolarHBondContact O-N 2.83Å; L273-V276 WeakPolarHBondContact O-CB 3.11Å; L273-V276 PolarHBondContact O-N 3.14Å; L273-V276 VanDerWaalsContact O-N 3.08Å; L273-L277 WeakPolarHBondContact O-CG 3.11Å; L273-L277 PolarHBondContact O-N 2.86Å
274	D	60	Low	60	Low	50 Å²	50	54.7 Å²	54.7	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-39.5	175.7	-74.8	-19.9	0	0	0	111.7	R260 S270 S271 V276 L277 K278	R260-D274 IonicContact CZ-OD1 3.14Å; R260-D274 IonicContact CZ-OD2 2.82Å; R260-D274 IonicContact NE-OD1 2.99Å; R260-D274 IonicContact NE-OD2 3.15Å; R260-D274 IonicContact NH2-OD1 3.5Å; R260-D274 PolarHBondContact NH2-OD1 3.44Å; R260-D274 IonicContact NH2-OD2 3.97Å; R260-D274 PolarHBondContact NH2-OD2 2.8Å; S270-D274 PolarHBondContact O-N 3.08Å; S270-D274 VanDerWaalsContact O-N 3.14Å; S271-D274 WeakPolarHBondContact O-CB 3.48Å; S271-D274 PolarHBondContact O-N 3.11Å; D274-V276 VanDerWaalsContact C-N 3.29Å; D274-V276 PolarHBondContact O-N 2.68Å; D274-L277 PolarHBondContact O-N 3.16Å; D274-K278 WeakPolarHBondContact O-CB 3.15Å; D274-K278 PolarHBondContact O-N 2.85Å
275	D	58.4	Low	60.3	Low	54 Å²	54	51.8 Å²	51.8	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-55.6	-44.4	171.7	-76.9	-14.5	0	0	0	112	K221 S271 R272 L273 A279	K221-D275 IonicContact NZ-OD2 3.61Å; K221-D275 PolarHBondContact NZ-OD2 2.96Å; S271-D275 PolarHBondContact O-N 3.38Å; R272-D275 IonicContact NH1-OD2 3.59Å; R272-D275 PolarHBondContact NH1-OD2 3.36Å; R272-D275 VanDerWaalsContact NH1-OD2 3.14Å; R272-D275 WeakPolarHBondContact O-CB 3.34Å; L273-D275 VanDerWaalsContact C-N 3.29Å; L273-D275 PolarHBondContact O-N 2.83Å; D275-A279 VanDerWaalsContact O-CB 3.29Å; D275-A279 WeakPolarHBondContact O-CB 3.22Å; D275-A279 PolarHBondContact O-N 2.87Å
276	V	54.1	Low	60.7	Low	17 Å²	17	51.1 Å²	51.1	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-44.3	-178.9	172.9	0	0	0	0	110.4	V218 K221 R272 L273 D274 A279 T280	V218-V276 HydrophobicContact CB-CG2 4.47Å; V218-V276 HydrophobicContact CG1-CG1 3.68Å; V218-V276 HydrophobicContact CG1-CG2 3.99Å; V218-V276 HydrophobicContact CG2-CG1 4.15Å; V218-V276 HydrophobicContact CG2-CG2 4.25Å; K221-V276 HydrophobicContact CD-CG2 4.36Å; R272-V276 WeakPolarHBondContact O-CG2 3.42Å; R272-V276 PolarHBondContact O-N 2.87Å; L273-V276 WeakPolarHBondContact O-CB 3.11Å; L273-V276 PolarHBondContact O-N 3.14Å; L273-V276 VanDerWaalsContact O-N 3.08Å; D274-V276 VanDerWaalsContact C-N 3.29Å; D274-V276 PolarHBondContact O-N 2.68Å; V276-A279 PolarHBondContact O-N 3.37Å; V276-T280 WeakPolarHBondContact O-CB 3.21Å; V276-T280 PolarHBondContact O-N 3.44Å; V276-T280 PolarHBondContact O-OG1 3.4Å
277	L	59.9	Low	60.8	Low	21 Å²	21	50.3 Å²	50.3	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178	-65.8	170.6	0	0	0	111	R256 L273 D274 T280 C281 L378	R256-L277 VanDerWaalsContact NH2-CD1 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.11Å; L273-L277 PolarHBondContact O-N 2.86Å; D274-L277 PolarHBondContact O-N 3.16Å; L277-T280 WeakPolarHBondContact O-CB 3.39Å; L277-T280 PolarHBondContact O-N 2.83Å; L277-C281 WeakPolarHBondContact O-CB 3.34Å; L277-C281 PolarHBondContact O-N 3.19Å; L277-L378 HydrophobicContact CD2-CD2 3.76Å
278	K	61.8	Low	60.8	Low	141 Å²	141	44.9 Å²	44.9	61%	0.613	23%	0.23	S	C	*	.	H	α-helix	trans	-66.2	-42.1	176.4	-171.9	173.2	-175.9	172.9	0	112.8	D274 T280 C281 I282	D274-K278 WeakPolarHBondContact O-CB 3.15Å; D274-K278 PolarHBondContact O-N 2.85Å; K278-T280 VanDerWaalsContact C-N 3.34Å; K278-C281 WeakPolarHBondContact O-CB 3.26Å; K278-C281 PolarHBondContact O-N 3.31Å; K278-I282 HydrophobicContact CG-CD1 4.14Å; K278-I282 VanDerWaalsContact O-CG1 3.31Å; K278-I282 WeakPolarHBondContact O-CG1 3.35Å; K278-I282 PolarHBondContact O-N 2.92Å
279	A	57.6	Low	61	Low	56 Å²	56	47.6 Å²	47.6	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-42.4	175.5	0	0	0	0	0	111.5	D275 V276 C283	D275-A279 VanDerWaalsContact O-CB 3.29Å; D275-A279 WeakPolarHBondContact O-CB 3.22Å; D275-A279 PolarHBondContact O-N 2.87Å; V276-A279 PolarHBondContact O-N 3.37Å; A279-C283 PolarHBondContact O-N 2.91Å
280	T	54.8	Low	61.3	Low	6 Å²	6	54.2 Å²	54.2	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-47.2	175.7	-55.7	0	0	0	0	110.9	V276 L277 K278 C283 F284 A323 L325 L378	V276-T280 WeakPolarHBondContact O-CB 3.21Å; V276-T280 PolarHBondContact O-N 3.44Å; V276-T280 PolarHBondContact O-OG1 3.4Å; L277-T280 WeakPolarHBondContact O-CB 3.39Å; L277-T280 PolarHBondContact O-N 2.83Å; K278-T280 VanDerWaalsContact C-N 3.34Å; T280-C283 WeakPolarHBondContact O-CB 3.24Å; T280-C283 PolarHBondContact O-N 2.96Å; T280-F284 HydrophobicContact CG2-CD2 3.66Å; T280-F284 HydrophobicContact CG2-CE2 3.39Å; T280-F284 VanDerWaalsContact O-CD2 3.22Å; T280-F284 WeakPolarHBondContact O-CD2 3.49Å; T280-F284 PolarHBondContact O-N 3Å; T280-A323 HydrophobicContact CG2-CB 3.43Å; T280-A323 VanDerWaalsContact CG2-CB 3.43Å; T280-A323 WeakPolarHBondContact OG1-CB 3.36Å; T280-L325 HydrophobicContact CG2-CD1 4.34Å; T280-L378 HydrophobicContact CG2-CD1 3.7Å
281	C	58.2	Low	61.3	Low	10 Å²	10	53.3 Å²	53.3	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-53.3	-55.5	175.1	162.5	0	0	0	0	112.6	L277 K278 C283 F284 E285 C379	L277-C281 WeakPolarHBondContact O-CB 3.34Å; L277-C281 PolarHBondContact O-N 3.19Å; K278-C281 WeakPolarHBondContact O-CB 3.26Å; K278-C281 PolarHBondContact O-N 3.31Å; C281-C283 PolarHBondContact O-N 2.7Å; C281-F284 PolarHBondContact O-N 3.38Å; C281-F284 VanDerWaalsContact O-N 3.09Å; C281-E285 PolarHBondContact O-N 2.96Å; C281-C379 WeakPolarHBondContact CA-SG 3.25Å; C281-C379 HydrophobicContact CB-CB 3.9Å; C281-C379 WeakPolarHBondContact CB-SG 3.18Å; C281-C379 VanDerWaalsContact SG-CA 3.59Å; C281-C379 WeakPolarHBondContact SG-CB 3.5Å; C281-C379 CovalentContact SG-SG 1.99Å; C281-C379 PolarHBondContact SG-SG 3.19Å
282	I	62.9	Low	61.2	Low	71 Å²	71	55.8 Å²	55.8	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-35	-179.6	-69.6	166.3	0	0	0	111	K278 K286	K278-I282 HydrophobicContact CG-CD1 4.14Å; K278-I282 VanDerWaalsContact O-CG1 3.31Å; K278-I282 WeakPolarHBondContact O-CG1 3.35Å; K278-I282 PolarHBondContact O-N 2.92Å; I282-K286 HydrophobicContact CG2-CD 4.07Å; I282-K286 WeakPolarHBondContact O-CB 3.34Å; I282-K286 VanDerWaalsContact O-CG 3.26Å; I282-K286 WeakPolarHBondContact O-CG 2.88Å; I282-K286 PolarHBondContact O-N 1.99Å; I282-K286 VanDerWaalsContact O-N 3.11Å
283	C	63.1	Low	61.4	Low	17 Å²	17	56.1 Å²	56.1	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-48.4	176.9	-164.8	0	0	0	0	111.9	A279 T280 C281 K286 T287 C319	A279-C283 PolarHBondContact O-N 2.91Å; T280-C283 WeakPolarHBondContact O-CB 3.24Å; T280-C283 PolarHBondContact O-N 2.96Å; C281-C283 PolarHBondContact O-N 2.7Å; C283-K286 PolarHBondContact O-N 2.85Å; C283-T287 WeakPolarHBondContact O-CB 3.44Å; C283-T287 PolarHBondContact O-N 2.89Å; C283-T287 PolarHBondContact O-OG1 3.12Å; C283-C319 HydrophobicContact CB-CB 3.71Å; C283-C319 WeakPolarHBondContact CB-SG 3.45Å; C283-C319 PolarHBondContact O-SG 3.47Å; C283-C319 WeakPolarHBondContact SG-CA 3.47Å; C283-C319 WeakPolarHBondContact SG-CB 3.47Å; C283-C319 CovalentContact SG-SG 2.04Å; C283-C319 PolarHBondContact SG-SG 2.79Å
284	F	62.6	Low	61.4	Low	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-45.4	177.8	-78.7	-68.4	0	0	0	112	T280 C281 K286 T287 A288 F316 C319 Y320 W374 L378	T280-F284 HydrophobicContact CG2-CD2 3.66Å; T280-F284 HydrophobicContact CG2-CE2 3.39Å; T280-F284 VanDerWaalsContact O-CD2 3.22Å; T280-F284 WeakPolarHBondContact O-CD2 3.49Å; T280-F284 PolarHBondContact O-N 3Å; C281-F284 PolarHBondContact O-N 3.38Å; C281-F284 VanDerWaalsContact O-N 3.09Å; F284-K286 PolarHBondContact O-N 3.38Å; F284-T287 PolarHBondContact O-N 3.03Å; F284-A288 WeakPolarHBondContact O-CB 3.36Å; F284-A288 PolarHBondContact O-N 3.17Å; F284-F316 AromaticContact CD1-CD1 3.71Å; F284-F316 HydrophobicContact CD1-CD1 3.71Å; F284-F316 AromaticContact CD1-CE1 3.78Å; F284-F316 HydrophobicContact CD1-CE1 3.78Å; F284-F316 AromaticContact CE1-CD1 3.72Å; F284-F316 HydrophobicContact CE1-CD1 3.72Å; F284-F316 HydrophobicContact CE1-CE1 4.17Å; F284-C319 HydrophobicContact CD1-CB 4.28Å; F284-C319 HydrophobicContact CE1-CB 4.21Å; F284-C319 HydrophobicContact CE2-CB 4.45Å; F284-C319 HydrophobicContact CG-CB 4.45Å; F284-C319 HydrophobicContact CZ-CB 4.28Å; F284-Y320 AromaticContact CE1-CD2 3.74Å; F284-Y320 HydrophobicContact CE1-CD2 3.74Å; F284-Y320 AromaticContact CE1-CE2 3.44Å; F284-Y320 HydrophobicContact CE1-CE2 3.44Å; F284-Y320 VanDerWaalsContact CE1-CE2 3.44Å; F284-Y320 HydrophobicContact CZ-CD1 4.41Å; F284-Y320 AromaticContact CZ-CD2 3.58Å; F284-Y320 HydrophobicContact CZ-CD2 3.58Å; F284-Y320 HydrophobicContact CZ-CE1 4.3Å; F284-Y320 AromaticContact CZ-CE2 3.48Å; F284-Y320 HydrophobicContact CZ-CE2 3.48Å; F284-Y320 VanDerWaalsContact CZ-CE2 3.48Å; F284-Y320 HydrophobicContact CZ-CG 4.07Å; F284-Y320 AromaticContact CZ-CZ 3.84Å; F284-W374 HydrophobicContact CE1-CB 4.47Å; F284-W374 HydrophobicContact CZ-CB 4.48Å; F284-L378 HydrophobicContact CD2-CD1 4.19Å; F284-L378 HydrophobicContact CE2-CD1 4.03Å
285	E	65.8	Low	61.1	Low	76 Å²	76	55.5 Å²	55.5	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-43.4	177.1	-74.2	-170.2	173.5	0	0	112.7	C281 T287 A288 K289	C281-E285 PolarHBondContact O-N 2.96Å; E285-T287 VanDerWaalsContact C-N 3.32Å; E285-A288 PolarHBondContact O-N 3.26Å; E285-K289 WeakPolarHBondContact O-CB 2.9Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.2Å; E285-K289 PolarHBondContact O-N 3.26Å
286	K	69.7	Low	60.9	Low	146 Å²	146	61.8 Å²	61.8	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-40.8	177.2	-78.6	178.7	178.3	-179.5	0	111.5	I282 C283 F284 K289 R290	I282-K286 HydrophobicContact CG2-CD 4.07Å; I282-K286 WeakPolarHBondContact O-CB 3.34Å; I282-K286 VanDerWaalsContact O-CG 3.26Å; I282-K286 WeakPolarHBondContact O-CG 2.88Å; I282-K286 PolarHBondContact O-N 1.99Å; I282-K286 VanDerWaalsContact O-N 3.11Å; C283-K286 PolarHBondContact O-N 2.85Å; F284-K286 PolarHBondContact O-N 3.38Å; K286-K289 PolarHBondContact O-N 3.08Å; K286-R290 WeakPolarHBondContact O-CB 3.45Å; K286-R290 PolarHBondContact O-N 3.23Å
287	T	65.1	Low	61	Low	8 Å²	8	65 Å²	65	5%	0.049	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-44.4	178.6	-55.7	0	0	0	0	111	C283 F284 E285 R290 A291 Q315 F316 C319	C283-T287 WeakPolarHBondContact O-CB 3.44Å; C283-T287 PolarHBondContact O-N 2.89Å; C283-T287 PolarHBondContact O-OG1 3.12Å; F284-T287 PolarHBondContact O-N 3.03Å; E285-T287 VanDerWaalsContact C-N 3.32Å; T287-R290 PolarHBondContact O-N 3.36Å; T287-A291 PolarHBondContact O-N 3.22Å; T287-Q315 HydrophobicContact CG2-CB 3.6Å; T287-F316 HydrophobicContact CG2-CD1 4.12Å; T287-F316 HydrophobicContact CG2-CD2 3.67Å; T287-F316 HydrophobicContact CG2-CE1 4.13Å; T287-F316 HydrophobicContact CG2-CE2 3.66Å; T287-F316 HydrophobicContact CG2-CG 3.9Å; T287-F316 HydrophobicContact CG2-CZ 3.9Å; T287-C319 PolarHBondContact OG1-SG 3.16Å
288	A	63.5	Low	60.8	Low	11 Å²	11	65.5 Å²	65.5	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-42.3	175.1	0	0	0	0	0	112.5	F284 E285 R290 A291 K292	F284-A288 WeakPolarHBondContact O-CB 3.36Å; F284-A288 PolarHBondContact O-N 3.17Å; E285-A288 PolarHBondContact O-N 3.26Å; A288-R290 VanDerWaalsContact C-N 3.3Å; A288-R290 PolarHBondContact O-N 3.08Å; A288-A291 WeakPolarHBondContact O-CB 3.18Å; A288-A291 PolarHBondContact O-N 2.88Å; A288-K292 PolarHBondContact O-N 3.33Å
289	K	66.6	Low	60.6	Low	136 Å²	136	62.6 Å²	62.6	59%	0.591	33%	0.331	S	S	*	.	H	α-helix	trans	-59.4	-40.5	173.5	-78.5	173.8	-178.9	167.5	0	111.8	E285 K286 K292 T293	E285-K289 WeakPolarHBondContact O-CB 2.9Å; E285-K289 VanDerWaalsContact O-CG 3.31Å; E285-K289 WeakPolarHBondContact O-CG 3.2Å; E285-K289 PolarHBondContact O-N 3.26Å; K286-K289 PolarHBondContact O-N 3.08Å; K289-K292 WeakPolarHBondContact O-CB 3.2Å; K289-K292 PolarHBondContact O-N 2.88Å; K289-T293 PolarHBondContact O-N 3.12Å; K289-T293 VanDerWaalsContact O-N 3.11Å
290	R	65.8	Low	60.5	Low	140 Å²	140	63.4 Å²	63.4	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-70.1	-37.1	177.7	-171.4	164.9	177.8	179.6	5.7	112.8	K286 T287 A288 K292 T293 L294	K286-R290 WeakPolarHBondContact O-CB 3.45Å; K286-R290 PolarHBondContact O-N 3.23Å; T287-R290 PolarHBondContact O-N 3.36Å; A288-R290 VanDerWaalsContact C-N 3.3Å; A288-R290 PolarHBondContact O-N 3.08Å; R290-K292 VanDerWaalsContact C-N 3.28Å; R290-K292 PolarHBondContact O-N 2.78Å; R290-T293 WeakPolarHBondContact CA-OG1 3.43Å; R290-T293 PolarHBondContact O-N 3.41Å; R290-T293 PolarHBondContact O-OG1 2.82Å; R290-L294 PolarHBondContact O-N 3.1Å
291	A	61.7	Low	60.6	Low	2 Å²	2	71.8 Å²	71.8	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-58.3	-41.6	169.8	0	0	0	0	0	111.2	T287 A288 T293 L294 S295 F364	T287-A291 PolarHBondContact O-N 3.22Å; A288-A291 WeakPolarHBondContact O-CB 3.18Å; A288-A291 PolarHBondContact O-N 2.88Å; A291-T293 PolarHBondContact O-N 2.83Å; A291-L294 PolarHBondContact O-N 2.68Å; A291-S295 PolarHBondContact O-N 3.29Å; A291-F364 HydrophobicContact CB-CD1 4.04Å; A291-F364 HydrophobicContact CB-CE1 4.48Å
292	K	58.5	Low	60.4	Low	111 Å²	111	75.9 Å²	75.9	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-36.1	176.5	-171.2	178.7	-177.9	176.4	0	113.8	A288 K289 R290 L294 S295	A288-K292 PolarHBondContact O-N 3.33Å; K289-K292 WeakPolarHBondContact O-CB 3.2Å; K289-K292 PolarHBondContact O-N 2.88Å; R290-K292 VanDerWaalsContact C-N 3.28Å; R290-K292 PolarHBondContact O-N 2.78Å; K292-L294 VanDerWaalsContact C-N 3.27Å; K292-L294 PolarHBondContact O-N 2.76Å; K292-S295 PolarHBondContact O-N 3.46Å; K292-S295 PolarHBondContact O-OG 3.27Å
293	T	62	Low	59.8	Low	89 Å²	89	72.8 Å²	72.8	55%	0.546	36%	0.363	S	S	.	.	H	α-helix	trans	-67.5	-31.8	176.5	52.7	0	0	0	0	112	K289 R290 A291 S295 T298	K289-T293 PolarHBondContact O-N 3.12Å; K289-T293 VanDerWaalsContact O-N 3.11Å; R290-T293 WeakPolarHBondContact CA-OG1 3.43Å; R290-T293 PolarHBondContact O-N 3.41Å; R290-T293 PolarHBondContact O-OG1 2.82Å; A291-T293 PolarHBondContact O-N 2.83Å; T293-S295 PolarHBondContact O-N 3.09Å; T293-T298 PolarHBondContact O-OG1 2.97Å
294	L	57.9	Low	59.3	Low	34 Å²	34	78 Å²	78	18%	0.178	38%	0.38	C	S	.	.	H	α-helix	trans	-71	-17.2	176.5	-68.7	169.6	0	0	0	112.9	R290 A291 K292 T298 I303 I312 F364	R290-L294 PolarHBondContact O-N 3.1Å; A291-L294 PolarHBondContact O-N 2.68Å; K292-L294 VanDerWaalsContact C-N 3.27Å; K292-L294 PolarHBondContact O-N 2.76Å; L294-T298 HydrophobicContact CD2-CG2 4.21Å; L294-T298 WeakPolarHBondContact O-CB 3.26Å; L294-T298 PolarHBondContact O-OG1 2.8Å; L294-I303 WeakPolarHBondContact O-CG1 3.31Å; L294-I312 HydrophobicContact CD1-CD1 4.08Å; L294-I312 HydrophobicContact CD1-CG1 4.02Å; L294-F364 HydrophobicContact CB-CE1 3.7Å; L294-F364 HydrophobicContact CB-CE2 4.35Å; L294-F364 HydrophobicContact CB-CZ 3.52Å; L294-F364 HydrophobicContact CD1-CE1 3.97Å; L294-F364 HydrophobicContact CD1-CZ 4.17Å; L294-F364 HydrophobicContact CG-CZ 4.48Å
295	S	53.4	Low	58.9	Low	20 Å²	20	80.5 Å²	80.5	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-89.2	-17.8	179	74	0	0	0	0	114.3	A291 K292 T293	A291-S295 PolarHBondContact O-N 3.29Å; K292-S295 PolarHBondContact O-N 3.46Å; K292-S295 PolarHBondContact O-OG 3.27Å; T293-S295 PolarHBondContact O-N 3.09Å
296	R	54.1	Low	58.4	Low	185 Å²	185	77 Å²	77	70%	0.698	38%	0.378	S	S	*	.	S	Bend	trans	-102.4	118.3	179.9	-72	-173.7	174.1	-175.2	-4.3	111.1	T298	R296-T298 PolarHBondContact O-N 2.79Å; R296-T298 PolarHBondContact O-OG1 3.23Å
297	G	55.7	Low	57.4	Low	86 Å²	86	70.7 Å²	70.7	89%	0.887	35%	0.351	S	S	*	.	S	Bend	trans	65.7	1	172.2	0	0	0	0	0	116.4
298	T	56.8	Low	56.8	Low	31 Å²	31	76.1 Å²	76.1	19%	0.19	38%	0.379	C	S	.	.			trans	-82.6	135.2	-174.3	-61.2	0	0	0	0	110.9	T293 L294 R296 L302 I303	T293-T298 PolarHBondContact O-OG1 2.97Å; L294-T298 HydrophobicContact CD2-CG2 4.21Å; L294-T298 WeakPolarHBondContact O-CB 3.26Å; L294-T298 PolarHBondContact O-OG1 2.8Å; R296-T298 PolarHBondContact O-N 2.79Å; R296-T298 PolarHBondContact O-OG1 3.23Å; T298-L302 HydrophobicContact CG2-CB 3.48Å; T298-L302 VanDerWaalsContact CG2-CB 3.48Å; T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.38Å; T298-I303 HydrophobicContact CG2-CG1 4.13Å; T298-I303 WeakPolarHBondContact O-CD1 3.46Å
299	P	57.4	Low	56.4	Low	80 Å²	80	78.1 Å²	78.1	52%	0.519	40%	0.401	S	S	.	.			trans	-53.2	140	172.6	-27.3	31.5	0	0	0	113.5	R301 L302 I303	P299-R301 PolarHBondContact O-N 3.31Å; P299-L302 HydrophobicContact CG-CD1 4.36Å; P299-L302 PolarHBondContact O-N 3.11Å; P299-I303 PolarHBondContact O-N 3.31Å
300	L	54.3	Low	56.3	Low	72 Å²	72	72.3 Å²	72.3	38%	0.377	38%	0.379	S	S	.	.	H	α-helix	trans	-49.4	-34.4	178.2	-84.4	160.9	0	0	0	113.5	I303 R304 L356 K357 M360	L300-I303 WeakPolarHBondContact O-CB 3.29Å; L300-I303 PolarHBondContact O-N 3.28Å; L300-R304 WeakPolarHBondContact O-CB 3.47Å; L300-R304 PolarHBondContact O-N 3.1Å; L300-L356 HydrophobicContact CD2-CD2 4.15Å; L300-L356 HydrophobicContact CD2-CG 4.28Å; L300-K357 HydrophobicContact CD2-CB 4.47Å; L300-M360 HydrophobicContact CD2-SD 3.71Å
301	R	57.6	Low	56.3	Low	183 Å²	183	68.7 Å²	68.7	69%	0.691	37%	0.372	S	S	*	.	H	α-helix	trans	-61.5	-45.9	176.4	-176.5	177.2	175.4	169.8	0.4	112.5	P299 I303 R304 D305	P299-R301 PolarHBondContact O-N 3.31Å; R301-I303 VanDerWaalsContact C-N 3.32Å; R301-R304 WeakPolarHBondContact O-CB 3.44Å; R301-R304 PolarHBondContact O-N 3.25Å; R301-D305 WeakPolarHBondContact O-CB 3.25Å; R301-D305 PolarHBondContact O-N 3.04Å
302	L	54.8	Low	56.4	Low	95 Å²	95	68.7 Å²	68.7	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-70.6	-31.8	179.6	-71.6	175.4	0	0	0	111.8	T298 P299 G306	T298-L302 HydrophobicContact CG2-CB 3.48Å; T298-L302 VanDerWaalsContact CG2-CB 3.48Å; T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.38Å; P299-L302 HydrophobicContact CG-CD1 4.36Å; P299-L302 PolarHBondContact O-N 3.11Å; L302-G306 PolarHBondContact O-N 3.32Å
303	I	50.3	Low	56.7	Low	6 Å²	6	65.1 Å²	65.1	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-49.3	171.2	-70.5	170.6	0	0	0	110.6	L294 T298 P299 L300 R301 G306 L307 M360 F364	L294-I303 WeakPolarHBondContact O-CG1 3.31Å; T298-I303 HydrophobicContact CG2-CG1 4.13Å; T298-I303 WeakPolarHBondContact O-CD1 3.46Å; P299-I303 PolarHBondContact O-N 3.31Å; L300-I303 WeakPolarHBondContact O-CB 3.29Å; L300-I303 PolarHBondContact O-N 3.28Å; R301-I303 VanDerWaalsContact C-N 3.32Å; I303-G306 PolarHBondContact O-N 3.31Å; I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 PolarHBondContact O-N 2.76Å; I303-L307 VanDerWaalsContact O-N 3.09Å; I303-M360 HydrophobicContact CB-SD 4.29Å; I303-M360 HydrophobicContact CG2-CB 3.57Å; I303-M360 HydrophobicContact CG2-CG 3.81Å; I303-M360 HydrophobicContact CG2-SD 3.34Å; I303-M360 WeakPolarHBondContact CG2-SD 3.46Å; I303-F364 HydrophobicContact CB-CE2 4.24Å; I303-F364 HydrophobicContact CG1-CE2 4.1Å; I303-F364 HydrophobicContact CG2-CE2 3.58Å; I303-F364 HydrophobicContact CG2-CZ 4.25Å
304	R	52.3	Low	57.1	Low	127 Å²	127	64 Å²	64	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-48.3	176.7	-170.7	-164.7	73.7	169	5	111.2	L300 R301 G306 L307 I308 G309 M360	L300-R304 WeakPolarHBondContact O-CB 3.47Å; L300-R304 PolarHBondContact O-N 3.1Å; R301-R304 WeakPolarHBondContact O-CB 3.44Å; R301-R304 PolarHBondContact O-N 3.25Å; R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.39Å; R304-L307 PolarHBondContact O-N 3.49Å; R304-I308 HydrophobicContact CG-CB 4.35Å; R304-I308 HydrophobicContact CG-CD1 3.58Å; R304-I308 HydrophobicContact CG-CG1 4.05Å; R304-I308 WeakPolarHBondContact O-CA 3.19Å; R304-I308 VanDerWaalsContact O-CB 3.25Å; R304-I308 WeakPolarHBondContact O-CB 3.43Å; R304-I308 PolarHBondContact O-N 3.32Å; R304-G309 PolarHBondContact O-N 3.49Å; R304-M360 HydrophobicContact CB-CE 4.43Å
305	D	54.5	Low	57.6	Low	52 Å²	52	63.4 Å²	63.4	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-68.8	-28.2	-179.6	-61.6	-14.6	0	0	0	111.2	R301 G309	R301-D305 WeakPolarHBondContact O-CB 3.25Å; R301-D305 PolarHBondContact O-N 3.04Å; D305-G309 CarbonylContact O-C 3.52Å; D305-G309 WeakPolarHBondContact O-CA 3.11Å; D305-G309 PolarHBondContact O-N 3.08Å; D305-G309 VanDerWaalsContact O-N 3.13Å
306	G	54.2	Low	58.1	Low	4 Å²	4	62.9 Å²	62.9	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-44	173.4	0	0	0	0	0	114	L302 I303 R304 V311 I312	L302-G306 PolarHBondContact O-N 3.32Å; I303-G306 PolarHBondContact O-N 3.31Å; R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.39Å; G306-V311 PolarHBondContact O-N 2.67Å; G306-V311 VanDerWaalsContact O-N 3.11Å; G306-I312 WeakPolarHBondContact O-CD1 3.39Å; G306-I312 PolarHBondContact O-N 3.36Å; G306-I312 VanDerWaalsContact O-N 3.13Å
307	L	50	Low	58.7	Low	12 Å²	12	56.4 Å²	56.4	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-91.1	-55.2	-174.8	-75.4	160.8	0	0	0	112.7	I303 R304 G310 I312 M360 L363 F364 F367	I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 PolarHBondContact O-N 2.76Å; I303-L307 VanDerWaalsContact O-N 3.09Å; R304-L307 PolarHBondContact O-N 3.49Å; L307-G310 PolarHBondContact O-N 2.96Å; L307-I312 HydrophobicContact CD2-CD1 3.94Å; L307-I312 HydrophobicContact CG-CD1 4.02Å; L307-M360 HydrophobicContact CD1-CB 4.25Å; L307-M360 HydrophobicContact CD1-CG 4.46Å; L307-L363 HydrophobicContact CB-CD2 4.25Å; L307-L363 HydrophobicContact CD1-CB 4.5Å; L307-L363 HydrophobicContact CD1-CD2 3.92Å; L307-L363 HydrophobicContact CD2-CB 4.44Å; L307-L363 HydrophobicContact CD2-CD2 3.41Å; L307-L363 VanDerWaalsContact CD2-CD2 3.41Å; L307-L363 HydrophobicContact CD2-CG 3.88Å; L307-L363 HydrophobicContact CG-CD2 4.04Å; L307-F364 HydrophobicContact CD1-CD2 3.95Å; L307-F364 HydrophobicContact CD1-CE2 3.68Å; L307-F364 HydrophobicContact CD1-CG 4.47Å; L307-F364 HydrophobicContact CD1-CZ 3.97Å; L307-F364 HydrophobicContact CD2-CD1 4.47Å; L307-F364 HydrophobicContact CG-CE1 4.35Å; L307-F364 HydrophobicContact CG-CE2 4.3Å; L307-F364 HydrophobicContact CG-CZ 4.08Å; L307-F367 HydrophobicContact CD2-CD2 3.6Å; L307-F367 HydrophobicContact CD2-CE2 3.36Å; L307-F367 HydrophobicContact CD2-CZ 4.38Å
308	I	51	Low	59.1	Low	122 Å²	122	54.9 Å²	54.9	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.8	180	-52.7	-172.6	0	0	0	110.6	R304 G310	R304-I308 HydrophobicContact CG-CB 4.35Å; R304-I308 HydrophobicContact CG-CD1 3.58Å; R304-I308 HydrophobicContact CG-CG1 4.05Å; R304-I308 WeakPolarHBondContact O-CA 3.19Å; R304-I308 VanDerWaalsContact O-CB 3.25Å; R304-I308 WeakPolarHBondContact O-CB 3.43Å; R304-I308 PolarHBondContact O-N 3.32Å; I308-G310 PolarHBondContact O-N 2.81Å
309	G	55.5	Low	59.3	Low	54 Å²	54	53.4 Å²	53.4	56%	0.557	28%	0.275	S	S	*	.	S	Bend	trans	-74.3	0.1	174.5	0	0	0	0	0	113.6	R304 D305 V311	R304-G309 PolarHBondContact O-N 3.49Å; D305-G309 CarbonylContact O-C 3.52Å; D305-G309 WeakPolarHBondContact O-CA 3.11Å; D305-G309 PolarHBondContact O-N 3.08Å; D305-G309 VanDerWaalsContact O-N 3.13Å; G309-V311 VanDerWaalsContact C-N 3.29Å; G309-V311 PolarHBondContact O-N 3.47Å
310	G	64.2	Low	59.3	Low	13 Å²	13	50.1 Å²	50.1	13%	0.134	25%	0.253	C	S	.	.			trans	71.5	14.6	170	0	0	0	0	0	115	L307 I308 I312 E313 H314	L307-G310 PolarHBondContact O-N 2.96Å; I308-G310 PolarHBondContact O-N 2.81Å; G310-I312 PolarHBondContact O-N 2.94Å; G310-E313 PolarHBondContact O-N 3.31Å; G310-H314 WeakPolarHBondContact O-CB 3.4Å; G310-H314 PolarHBondContact O-N 3.08Å
311	V	65.6	Low	59.4	Low	64 Å²	64	46.8 Å²	46.8	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-39.4	-177.1	178	0	0	0	0	112	G306 G309 Q315	G306-V311 PolarHBondContact O-N 2.67Å; G306-V311 VanDerWaalsContact O-N 3.11Å; G309-V311 VanDerWaalsContact C-N 3.29Å; G309-V311 PolarHBondContact O-N 3.47Å; V311-Q315 WeakPolarHBondContact O-CG 3.47Å; V311-Q315 PolarHBondContact O-N 3.47Å
312	I	63.5	Low	59.1	Low	3 Å²	3	41.1 Å²	41.1	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-72.7	-46.9	178.5	-62.2	152	0	0	0	110	L294 G306 L307 G310 H314 Q315 F316 F364 F367	L294-I312 HydrophobicContact CD1-CD1 4.08Å; L294-I312 HydrophobicContact CD1-CG1 4.02Å; G306-I312 WeakPolarHBondContact O-CD1 3.39Å; G306-I312 PolarHBondContact O-N 3.36Å; G306-I312 VanDerWaalsContact O-N 3.13Å; L307-I312 HydrophobicContact CD2-CD1 3.94Å; L307-I312 HydrophobicContact CG-CD1 4.02Å; G310-I312 PolarHBondContact O-N 2.94Å; I312-H314 VanDerWaalsContact C-N 3.27Å; I312-H314 PolarHBondContact O-N 3.36Å; I312-Q315 WeakPolarHBondContact O-CB 3.36Å; I312-Q315 PolarHBondContact O-N 2.75Å; I312-F316 HydrophobicContact CG2-CD2 3.68Å; I312-F316 HydrophobicContact CG2-CE2 3.55Å; I312-F316 WeakPolarHBondContact O-CD2 3.02Å; I312-F316 PolarHBondContact O-N 2.97Å; I312-F364 HydrophobicContact CD1-CD1 3.79Å; I312-F364 HydrophobicContact CD1-CE1 3.08Å; I312-F364 HydrophobicContact CD1-CZ 3.82Å; I312-F364 HydrophobicContact CG1-CE1 4.21Å; I312-F367 HydrophobicContact CG2-CB 4.47Å; I312-F367 HydrophobicContact CG2-CD1 3.98Å; I312-F367 HydrophobicContact CG2-CE1 4.31Å; I312-F367 HydrophobicContact CG2-CG 4.15Å
313	E	66.2	Low	58.8	Low	35 Å²	35	37 Å²	37	16%	0.164	20%	0.197	C	C	.	.	H	α-helix	trans	-54.3	-44.5	173.4	170	178.2	-157.6	0	0	111.5	G310 Q315 F316 H317 F327 L332 K336	G310-E313 PolarHBondContact O-N 3.31Å; E313-Q315 VanDerWaalsContact C-N 3.27Å; E313-Q315 PolarHBondContact O-N 3.27Å; E313-F316 PolarHBondContact O-N 2.88Å; E313-H317 VanDerWaalsContact O-CB 3.28Å; E313-H317 WeakPolarHBondContact O-CB 3.32Å; E313-H317 PolarHBondContact O-N 2.89Å; E313-F327 HydrophobicContact CG-CE1 4.33Å; E313-F327 HydrophobicContact CG-CZ 3.96Å; E313-L332 HydrophobicContact CB-CD2 4.1Å; E313-L332 HydrophobicContact CG-CD2 3.57Å; E313-L332 WeakPolarHBondContact OE1-CD2 3.31Å; E313-K336 IonicContact OE1-NZ 2.98Å; E313-K336 PolarHBondContact OE1-NZ 3.14Å; E313-K336 VanDerWaalsContact OE2-CE 3.23Å; E313-K336 WeakPolarHBondContact OE2-CE 3.12Å; E313-K336 IonicContact OE2-NZ 2.62Å; E313-K336 PolarHBondContact OE2-NZ 3.19Å
314	H	70.5	Confident	58.6	Low	65 Å²	65	38.8 Å²	38.8	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-35.8	177.7	-176	57.6	0	0	0	112.3	H207 G310 I312 Q318	H207-H314 AromaticContact CD2-CE1 3.53Å; H207-H314 AromaticContact CD2-NE2 3.37Å; H207-H314 PolarHBondContact CD2-NE2 3.16Å; H207-H314 AromaticContact CE1-CE1 3.67Å; H207-H314 AromaticContact CE1-NE2 2.93Å; H207-H314 PolarHBondContact CE1-NE2 3.32Å; H207-H314 AromaticContact CG-CE1 3.45Å; H207-H314 VanDerWaalsContact CG-CE1 3.45Å; H207-H314 AromaticContact CG-NE2 3.52Å; H207-H314 AromaticContact ND1-CE1 3.51Å; H207-H314 AromaticContact ND1-NE2 3.23Å; H207-H314 PolarHBondContact ND1-NE2 2.66Å; H207-H314 AromaticContact NE2-CE1 3.65Å; H207-H314 AromaticContact NE2-NE2 2.96Å; H207-H314 PolarHBondContact NE2-NE2 3.09Å; G310-H314 WeakPolarHBondContact O-CB 3.4Å; G310-H314 PolarHBondContact O-N 3.08Å; I312-H314 VanDerWaalsContact C-N 3.27Å; I312-H314 PolarHBondContact O-N 3.36Å; H314-Q318 PolarHBondContact CD2-NE2 3.38Å; H314-Q318 VanDerWaalsContact CD2-NE2 3.33Å; H314-Q318 PolarHBondContact NE2-NE2 2.99Å; H314-Q318 VanDerWaalsContact NE2-NE2 3.11Å; H314-Q318 WeakPolarHBondContact O-CB 3.11Å; H314-Q318 VanDerWaalsContact O-CG 3.24Å; H314-Q318 WeakPolarHBondContact O-CG 3.15Å; H314-Q318 PolarHBondContact O-N 2.87Å
315	Q	67	Low	58.4	Low	22 Å²	22	34 Å²	34	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-42.5	175.2	-71.7	170	20.7	0	0	112	T287 V311 I312 E313 H317 Q318 C319	T287-Q315 HydrophobicContact CG2-CB 3.6Å; V311-Q315 WeakPolarHBondContact O-CG 3.47Å; V311-Q315 PolarHBondContact O-N 3.47Å; I312-Q315 WeakPolarHBondContact O-CB 3.36Å; I312-Q315 PolarHBondContact O-N 2.75Å; E313-Q315 VanDerWaalsContact C-N 3.27Å; E313-Q315 PolarHBondContact O-N 3.27Å; Q315-H317 VanDerWaalsContact C-N 3.33Å; Q315-H317 PolarHBondContact O-N 3.43Å; Q315-Q318 WeakPolarHBondContact O-CB 3.18Å; Q315-Q318 PolarHBondContact O-N 2.96Å; Q315-C319 PolarHBondContact O-N 2.88Å; Q315-C319 PolarHBondContact O-SG 3Å; Q315-C319 VanDerWaalsContact O-SG 3.34Å
316	F	64	Low	58	Low	9 Å²	9	37 Å²	37	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-46.6	171.8	-82.1	-73.5	0	0	0	110.7	F284 T287 I312 E313 Q318 C319 Y320 F327 F367	F284-F316 AromaticContact CD1-CD1 3.71Å; F284-F316 HydrophobicContact CD1-CD1 3.71Å; F284-F316 AromaticContact CD1-CE1 3.78Å; F284-F316 HydrophobicContact CD1-CE1 3.78Å; F284-F316 AromaticContact CE1-CD1 3.72Å; F284-F316 HydrophobicContact CE1-CD1 3.72Å; F284-F316 HydrophobicContact CE1-CE1 4.17Å; T287-F316 HydrophobicContact CG2-CD1 4.12Å; T287-F316 HydrophobicContact CG2-CD2 3.67Å; T287-F316 HydrophobicContact CG2-CE1 4.13Å; T287-F316 HydrophobicContact CG2-CE2 3.66Å; T287-F316 HydrophobicContact CG2-CG 3.9Å; T287-F316 HydrophobicContact CG2-CZ 3.9Å; I312-F316 HydrophobicContact CG2-CD2 3.68Å; I312-F316 HydrophobicContact CG2-CE2 3.55Å; I312-F316 WeakPolarHBondContact O-CD2 3.02Å; I312-F316 PolarHBondContact O-N 2.97Å; E313-F316 PolarHBondContact O-N 2.88Å; F316-Q318 VanDerWaalsContact C-N 3.27Å; F316-Q318 PolarHBondContact O-N 2.95Å; F316-C319 WeakPolarHBondContact O-CA 3.42Å; F316-C319 WeakPolarHBondContact O-CB 2.86Å; F316-C319 PolarHBondContact O-N 3.09Å; F316-Y320 VanDerWaalsContact O-CD2 3.31Å; F316-Y320 WeakPolarHBondContact O-CD2 3.41Å; F316-Y320 PolarHBondContact O-N 3.12Å; F316-F327 HydrophobicContact CB-CE2 3.91Å; F316-F367 AromaticContact CD2-CD1 3.87Å; F316-F367 HydrophobicContact CD2-CD1 3.87Å; F316-F367 HydrophobicContact CD2-CE1 4.38Å; F316-F367 HydrophobicContact CE2-CB 4.1Å; F316-F367 AromaticContact CE2-CD1 3.71Å; F316-F367 HydrophobicContact CE2-CD1 3.71Å; F316-F367 HydrophobicContact CE2-CG 4.33Å; F316-F367 WeakPolarHBondContact CZ-O 3.25Å
317	H	66.9	Low	58.1	Low	50 Å²	50	38 Å²	38	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-41.9	175.1	-178.6	-85.5	0	0	0	111.2	E313 Q315 T321 F327	E313-H317 VanDerWaalsContact O-CB 3.28Å; E313-H317 WeakPolarHBondContact O-CB 3.32Å; E313-H317 PolarHBondContact O-N 2.89Å; Q315-H317 VanDerWaalsContact C-N 3.33Å; Q315-H317 PolarHBondContact O-N 3.43Å; H317-T321 PolarHBondContact CE1-OG1 3.21Å; H317-T321 WeakPolarHBondContact O-CB 3.22Å; H317-T321 PolarHBondContact O-N 3.05Å; H317-T321 PolarHBondContact O-OG1 3.43Å; H317-F327 HydrophobicContact CB-CD2 4Å; H317-F327 HydrophobicContact CB-CE2 3.96Å; H317-F327 HydrophobicContact CB-CG 4.43Å; H317-F327 HydrophobicContact CB-CZ 4.34Å; H317-F327 AromaticContact CD2-CG 3.77Å
318	Q	63.7	Low	58.6	Low	53 Å²	53	38.8 Å²	38.8	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-51.5	171.1	-76.3	171.9	17.9	0	0	110.7	H207 H314 Q315 F316 T321 Q322	H207-Q318 PolarHBondContact CE1-NE2 3.12Å; H207-Q318 PolarHBondContact ND1-NE2 2.79Å; H207-Q318 VanDerWaalsContact ND1-NE2 3.2Å; H314-Q318 PolarHBondContact CD2-NE2 3.38Å; H314-Q318 VanDerWaalsContact CD2-NE2 3.33Å; H314-Q318 PolarHBondContact NE2-NE2 2.99Å; H314-Q318 VanDerWaalsContact NE2-NE2 3.11Å; H314-Q318 WeakPolarHBondContact O-CB 3.11Å; H314-Q318 VanDerWaalsContact O-CG 3.24Å; H314-Q318 WeakPolarHBondContact O-CG 3.15Å; H314-Q318 PolarHBondContact O-N 2.87Å; Q315-Q318 WeakPolarHBondContact O-CB 3.18Å; Q315-Q318 PolarHBondContact O-N 2.96Å; F316-Q318 VanDerWaalsContact C-N 3.27Å; F316-Q318 PolarHBondContact O-N 2.95Å; Q318-T321 CarbonylContact O-C 3.53Å; Q318-T321 WeakPolarHBondContact O-CA 3.14Å; Q318-T321 WeakPolarHBondContact O-CB 3.26Å; Q318-T321 PolarHBondContact O-N 3.24Å; Q318-Q322 WeakPolarHBondContact O-CG 3.16Å; Q318-Q322 PolarHBondContact O-N 3.46Å
319	C	61.5	Low	59.3	Low	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-50.4	179.9	-63.2	0	0	0	0	113.9	C283 F284 T287 Q315 F316 T321 Q322 A323	C283-C319 HydrophobicContact CB-CB 3.71Å; C283-C319 WeakPolarHBondContact CB-SG 3.45Å; C283-C319 PolarHBondContact O-SG 3.47Å; C283-C319 WeakPolarHBondContact SG-CA 3.47Å; C283-C319 WeakPolarHBondContact SG-CB 3.47Å; C283-C319 CovalentContact SG-SG 2.04Å; C283-C319 PolarHBondContact SG-SG 2.79Å; F284-C319 HydrophobicContact CD1-CB 4.28Å; F284-C319 HydrophobicContact CE1-CB 4.21Å; F284-C319 HydrophobicContact CE2-CB 4.45Å; F284-C319 HydrophobicContact CG-CB 4.45Å; F284-C319 HydrophobicContact CZ-CB 4.28Å; T287-C319 PolarHBondContact OG1-SG 3.16Å; Q315-C319 PolarHBondContact O-N 2.88Å; Q315-C319 PolarHBondContact O-SG 3Å; Q315-C319 VanDerWaalsContact O-SG 3.34Å; F316-C319 WeakPolarHBondContact O-CA 3.42Å; F316-C319 WeakPolarHBondContact O-CB 2.86Å; F316-C319 PolarHBondContact O-N 3.09Å; C319-T321 PolarHBondContact O-N 3.24Å; C319-Q322 PolarHBondContact O-N 2.76Å; C319-A323 WeakPolarHBondContact O-CB 3.23Å; C319-A323 PolarHBondContact O-N 3.24Å
320	Y	57.7	Low	59.7	Low	11 Å²	11	43.5 Å²	43.5	4%	0.043	24%	0.236	C	C	.	.	H	α-helix	trans	-54.3	-42.1	172.2	-86.3	-89.9	0	0	0	110.8	F284 F316 A323 G324 L325 P326 F327 P328 W374	F284-Y320 AromaticContact CE1-CD2 3.74Å; F284-Y320 HydrophobicContact CE1-CD2 3.74Å; F284-Y320 AromaticContact CE1-CE2 3.44Å; F284-Y320 HydrophobicContact CE1-CE2 3.44Å; F284-Y320 VanDerWaalsContact CE1-CE2 3.44Å; F284-Y320 HydrophobicContact CZ-CD1 4.41Å; F284-Y320 AromaticContact CZ-CD2 3.58Å; F284-Y320 HydrophobicContact CZ-CD2 3.58Å; F284-Y320 HydrophobicContact CZ-CE1 4.3Å; F284-Y320 AromaticContact CZ-CE2 3.48Å; F284-Y320 HydrophobicContact CZ-CE2 3.48Å; F284-Y320 VanDerWaalsContact CZ-CE2 3.48Å; F284-Y320 HydrophobicContact CZ-CG 4.07Å; F284-Y320 AromaticContact CZ-CZ 3.84Å; F316-Y320 VanDerWaalsContact O-CD2 3.31Å; F316-Y320 WeakPolarHBondContact O-CD2 3.41Å; F316-Y320 PolarHBondContact O-N 3.12Å; Y320-A323 PolarHBondContact O-N 3.48Å; Y320-G324 PolarHBondContact O-N 3.46Å; Y320-G324 VanDerWaalsContact O-N 3.11Å; Y320-L325 HydrophobicContact CD1-CB 3.72Å; Y320-L325 HydrophobicContact CD1-CD1 4.45Å; Y320-L325 HydrophobicContact CE1-CB 4.48Å; Y320-L325 PolarHBondContact O-N 3Å; Y320-P326 WeakPolarHBondContact CD1-O 3.43Å; Y320-F327 AromaticContact CD2-CD2 3.52Å; Y320-F327 HydrophobicContact CD2-CD2 3.52Å; Y320-F327 AromaticContact CD2-CE2 3.93Å; Y320-F327 HydrophobicContact CD2-CE2 3.93Å; Y320-F327 HydrophobicContact CE2-CD2 4.13Å; Y320-F327 HydrophobicContact CE2-CE2 4.29Å; Y320-F327 AromaticContact CG-CD2 3.79Å; Y320-F327 HydrophobicContact CG-CD2 3.79Å; Y320-P328 HydrophobicContact CE1-CG 4.35Å; Y320-W374 VanDerWaalsContact OH-CD1 3.25Å; Y320-W374 VanDerWaalsContact OH-CE2 3.23Å; Y320-W374 PolarHBondContact OH-NE1 3.26Å
321	T	55.9	Low	59.4	Low	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-71.5	-38.5	180	-57	0	0	0	0	113.4	I211 R215 H317 Q318 C319 A323 G324	I211-T321 HydrophobicContact CB-CG2 3.54Å; I211-T321 HydrophobicContact CD1-CG2 3.91Å; I211-T321 HydrophobicContact CG1-CG2 3.34Å; I211-T321 HydrophobicContact CG2-CG2 3.16Å; R215-T321 HydrophobicContact CG-CG2 4.48Å; H317-T321 PolarHBondContact CE1-OG1 3.21Å; H317-T321 WeakPolarHBondContact O-CB 3.22Å; H317-T321 PolarHBondContact O-N 3.05Å; H317-T321 PolarHBondContact O-OG1 3.43Å; Q318-T321 CarbonylContact O-C 3.53Å; Q318-T321 WeakPolarHBondContact O-CA 3.14Å; Q318-T321 WeakPolarHBondContact O-CB 3.26Å; Q318-T321 PolarHBondContact O-N 3.24Å; C319-T321 PolarHBondContact O-N 3.24Å; T321-A323 PolarHBondContact O-N 2.94Å; T321-G324 PolarHBondContact O-N 3.03Å; T321-G324 VanDerWaalsContact O-N 3.08Å
322	Q	51.1	Low	59.2	Low	65 Å²	65	45.8 Å²	45.8	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-38.1	174.8	-49.1	-157	-34.7	0	0	110.2	N214 V218 Q318 C319 G324	N214-Q322 HydrophobicContact CB-CB 4.21Å; N214-Q322 VanDerWaalsContact ND2-CD 3.3Å; N214-Q322 WeakPolarHBondContact ND2-CG 3.46Å; N214-Q322 PolarHBondContact ND2-NE2 3.1Å; N214-Q322 VanDerWaalsContact ND2-NE2 3.2Å; V218-Q322 VanDerWaalsContact CG2-O 3.24Å; V218-Q322 WeakPolarHBondContact CG2-O 3.18Å; Q318-Q322 WeakPolarHBondContact O-CG 3.16Å; Q318-Q322 PolarHBondContact O-N 3.46Å; C319-Q322 PolarHBondContact O-N 2.76Å; Q322-G324 VanDerWaalsContact C-N 3.27Å; Q322-G324 PolarHBondContact O-N 2.97Å
323	A	49.2	Very low	59.3	Low	9 Å²	9	50 Å²	50	7%	0.074	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.2	177.6	0	0	0	0	0	114.2	T280 C319 Y320 T321 L325	T280-A323 HydrophobicContact CG2-CB 3.43Å; T280-A323 VanDerWaalsContact CG2-CB 3.43Å; T280-A323 WeakPolarHBondContact OG1-CB 3.36Å; C319-A323 WeakPolarHBondContact O-CB 3.23Å; C319-A323 PolarHBondContact O-N 3.24Å; Y320-A323 PolarHBondContact O-N 3.48Å; T321-A323 PolarHBondContact O-N 2.94Å; A323-L325 HydrophobicContact CB-CB 4.38Å; A323-L325 HydrophobicContact CB-CD1 3.75Å; A323-L325 HydrophobicContact CB-CG 3.7Å; A323-L325 PolarHBondContact O-N 3.33Å
324	G	46.7	Very low	59.2	Low	43 Å²	43	51 Å²	51	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	23.1	-172.4	0	0	0	0	0	113.8	Y320 T321 Q322	Y320-G324 PolarHBondContact O-N 3.46Å; Y320-G324 VanDerWaalsContact O-N 3.11Å; T321-G324 PolarHBondContact O-N 3.03Å; T321-G324 VanDerWaalsContact O-N 3.08Å; Q322-G324 VanDerWaalsContact C-N 3.27Å; Q322-G324 PolarHBondContact O-N 2.97Å
325	L	47.3	Very low	58.5	Low	27 Å²	27	49.7 Å²	49.7	14%	0.141	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-90.7	147.3	178.3	-61.4	175.5	0	0	0	110.8	T280 Y320 A323 F327	T280-L325 HydrophobicContact CG2-CD1 4.34Å; Y320-L325 HydrophobicContact CD1-CB 3.72Å; Y320-L325 HydrophobicContact CD1-CD1 4.45Å; Y320-L325 HydrophobicContact CE1-CB 4.48Å; Y320-L325 PolarHBondContact O-N 3Å; A323-L325 HydrophobicContact CB-CB 4.38Å; A323-L325 HydrophobicContact CB-CD1 3.75Å; A323-L325 HydrophobicContact CB-CG 3.7Å; A323-L325 PolarHBondContact O-N 3.33Å; L325-F327 PolarHBondContact O-N 3.26Å
326	P	46.6	Very low	58.1	Low	115 Å²	115	50.9 Å²	50.9	75%	0.747	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-65.4	133.7	169.3	29	-32.9	0	0	0	109.3	Y320	Y320-P326 WeakPolarHBondContact CD1-O 3.43Å
327	F	56.9	Low	57.9	Low	23 Å²	23	54.8 Å²	54.8	10%	0.101	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-78.9	130.4	173.8	-173.7	-100.3	0	0	0	109.7	E313 F316 H317 Y320 L325 H329 L332	E313-F327 HydrophobicContact CG-CE1 4.33Å; E313-F327 HydrophobicContact CG-CZ 3.96Å; F316-F327 HydrophobicContact CB-CE2 3.91Å; H317-F327 HydrophobicContact CB-CD2 4Å; H317-F327 HydrophobicContact CB-CE2 3.96Å; H317-F327 HydrophobicContact CB-CG 4.43Å; H317-F327 HydrophobicContact CB-CZ 4.34Å; H317-F327 AromaticContact CD2-CG 3.77Å; Y320-F327 AromaticContact CD2-CD2 3.52Å; Y320-F327 HydrophobicContact CD2-CD2 3.52Å; Y320-F327 AromaticContact CD2-CE2 3.93Å; Y320-F327 HydrophobicContact CD2-CE2 3.93Å; Y320-F327 HydrophobicContact CE2-CD2 4.13Å; Y320-F327 HydrophobicContact CE2-CE2 4.29Å; Y320-F327 AromaticContact CG-CD2 3.79Å; Y320-F327 HydrophobicContact CG-CD2 3.79Å; L325-F327 PolarHBondContact O-N 3.26Å; F327-H329 HydrophobicContact CD1-CB 4.49Å; F327-H329 AromaticContact CD1-CD2 3.8Å; F327-H329 AromaticContact CD1-CE1 3.42Å; F327-H329 VanDerWaalsContact CD1-CE1 3.42Å; F327-H329 WeakPolarHBondContact CD1-CE1 3.44Å; F327-H329 AromaticContact CD1-CG 3.69Å; F327-H329 AromaticContact CD1-ND1 3.46Å; F327-H329 WeakPolarHBondContact CD1-ND1 3.44Å; F327-H329 AromaticContact CD1-NE2 3.63Å; F327-H329 AromaticContact CE1-ND1 3.86Å; F327-H329 PolarHBondContact O-CD2 2.95Å; F327-H329 PolarHBondContact O-N 2.88Å; F327-L332 HydrophobicContact CE1-CD2 3.74Å; F327-L332 HydrophobicContact CZ-CD2 3.54Å
328	P	59.7	Low	57.3	Low	30 Å²	30	56.9 Å²	56.9	20%	0.195	31%	0.309	C	S	.	.			trans	-78.9	67.7	-176.2	32.6	-36.2	0	0	0	112	Y320 Q330 Q331 L332	Y320-P328 HydrophobicContact CE1-CG 4.35Å; P328-Q330 VanDerWaalsContact C-N 3.33Å; P328-Q330 PolarHBondContact O-N 2.81Å; P328-Q331 HydrophobicContact CB-CB 4.3Å; P328-Q331 PolarHBondContact O-N 3.01Å; P328-L332 PolarHBondContact O-N 3.27Å; P328-L332 VanDerWaalsContact O-N 3.14Å
329	H	66.8	Low	56.7	Low	99 Å²	99	55.3 Å²	55.3	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-53.8	-46.1	-177	-72.8	-77.1	0	0	0	112.9	F327 L332 E333	F327-H329 HydrophobicContact CD1-CB 4.49Å; F327-H329 AromaticContact CD1-CD2 3.8Å; F327-H329 AromaticContact CD1-CE1 3.42Å; F327-H329 VanDerWaalsContact CD1-CE1 3.42Å; F327-H329 WeakPolarHBondContact CD1-CE1 3.44Å; F327-H329 AromaticContact CD1-CG 3.69Å; F327-H329 AromaticContact CD1-ND1 3.46Å; F327-H329 WeakPolarHBondContact CD1-ND1 3.44Å; F327-H329 AromaticContact CD1-NE2 3.63Å; F327-H329 AromaticContact CE1-ND1 3.86Å; F327-H329 PolarHBondContact O-CD2 2.95Å; F327-H329 PolarHBondContact O-N 2.88Å; H329-L332 PolarHBondContact O-N 2.07Å; H329-E333 WeakPolarHBondContact O-CG 3.11Å; H329-E333 PolarHBondContact O-N 3.3Å
330	Q	62	Low	56.5	Low	176 Å²	176	61.3 Å²	61.3	82%	0.822	33%	0.328	S	S	*	.	H	α-helix	trans	-64.6	-44.1	-175.9	-71.1	178.6	-17.4	0	0	112.8	P328 L332 E333 A334	P328-Q330 VanDerWaalsContact C-N 3.33Å; P328-Q330 PolarHBondContact O-N 2.81Å; Q330-L332 VanDerWaalsContact C-N 3.3Å; Q330-L332 PolarHBondContact O-N 2.9Å; Q330-E333 PolarHBondContact O-N 2.89Å; Q330-A334 WeakPolarHBondContact O-CB 3.16Å; Q330-A334 PolarHBondContact O-N 3.32Å
331	Q	58.8	Low	56.2	Low	114 Å²	114	64.6 Å²	64.6	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-40.4	178.4	-67	169	-15.2	0	0	110.5	P328 A334 V335	P328-Q331 HydrophobicContact CB-CB 4.3Å; P328-Q331 PolarHBondContact O-N 3.01Å; Q331-A334 PolarHBondContact O-N 3.42Å; Q331-V335 WeakPolarHBondContact O-CG2 3.44Å; Q331-V335 PolarHBondContact O-N 3.3Å; Q331-V335 VanDerWaalsContact O-N 3.14Å
332	L	62.4	Low	56	Low	11 Å²	11	67.3 Å²	67.3	6%	0.058	37%	0.365	C	S	.	.	H	α-helix	trans	-69.1	-43.3	179	-176.2	61.1	0	0	0	112.8	E313 F327 P328 H329 Q330 A334 V335 K336 F367	E313-L332 HydrophobicContact CB-CD2 4.1Å; E313-L332 HydrophobicContact CG-CD2 3.57Å; E313-L332 WeakPolarHBondContact OE1-CD2 3.31Å; F327-L332 HydrophobicContact CE1-CD2 3.74Å; F327-L332 HydrophobicContact CZ-CD2 3.54Å; P328-L332 PolarHBondContact O-N 3.27Å; P328-L332 VanDerWaalsContact O-N 3.14Å; H329-L332 PolarHBondContact O-N 2.07Å; Q330-L332 VanDerWaalsContact C-N 3.3Å; Q330-L332 PolarHBondContact O-N 2.9Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 3.15Å; L332-V335 PolarHBondContact O-N 3.42Å; L332-K336 WeakPolarHBondContact O-CG 3.48Å; L332-K336 PolarHBondContact O-N 2.71Å; L332-F367 HydrophobicContact CD1-CD1 4.4Å; L332-F367 HydrophobicContact CD1-CE1 3.45Å; L332-F367 VanDerWaalsContact CD1-CE1 3.45Å; L332-F367 HydrophobicContact CD1-CE2 4.46Å; L332-F367 HydrophobicContact CD1-CZ 3.51Å; L332-F367 HydrophobicContact CD2-CE1 4.27Å
333	E	65.3	Low	55.8	Low	91 Å²	91	66 Å²	66	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-38.7	175.7	-74.1	-54.5	131.1	0	0	111.6	H329 Q330 V335 K336 Q337	H329-E333 WeakPolarHBondContact O-CG 3.11Å; H329-E333 PolarHBondContact O-N 3.3Å; Q330-E333 PolarHBondContact O-N 2.89Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 2.78Å; E333-K336 PolarHBondContact O-N 3.05Å; E333-K336 IonicContact OE1-NZ 2.71Å; E333-K336 PolarHBondContact OE1-NZ 3.43Å; E333-Q337 VanDerWaalsContact O-CB 3.32Å; E333-Q337 WeakPolarHBondContact O-CB 3.37Å; E333-Q337 PolarHBondContact O-N 3.06Å
334	A	63.3	Low	55.9	Low	57 Å²	57	67 Å²	67	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-44.7	173.5	0	0	0	0	0	111.9	Q330 Q331 L332 Q337 V338	Q330-A334 WeakPolarHBondContact O-CB 3.16Å; Q330-A334 PolarHBondContact O-N 3.32Å; Q331-A334 PolarHBondContact O-N 3.42Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 3.15Å; A334-Q337 PolarHBondContact O-N 2.78Å; A334-V338 VanDerWaalsContact O-CG2 3.32Å; A334-V338 WeakPolarHBondContact O-CG2 3.47Å; A334-V338 PolarHBondContact O-N 3.14Å
335	V	56.2	Low	56	Low	36 Å²	36	68.3 Å²	68.3	22%	0.218	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-43.9	176.4	169.7	0	0	0	0	111.6	Q331 L332 E333 F339 L363 V366 F370	Q331-V335 WeakPolarHBondContact O-CG2 3.44Å; Q331-V335 PolarHBondContact O-N 3.3Å; Q331-V335 VanDerWaalsContact O-N 3.14Å; L332-V335 PolarHBondContact O-N 3.42Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 2.78Å; V335-F339 WeakPolarHBondContact O-CB 3.25Å; V335-F339 PolarHBondContact O-N 3.04Å; V335-L363 HydrophobicContact CG1-CD1 3.73Å; V335-V366 HydrophobicContact CG1-CG1 3.86Å; V335-V366 HydrophobicContact CG2-CG1 4.49Å; V335-F370 HydrophobicContact CG2-CE2 4.11Å; V335-F370 HydrophobicContact CG2-CZ 4.27Å
336	K	58.3	Low	55.9	Low	48 Å²	48	72.2 Å²	72.2	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-42.1	175.9	-72	178.1	-172.6	167	0	112.1	E313 L332 E333 F339 K340	E313-K336 IonicContact OE1-NZ 2.98Å; E313-K336 PolarHBondContact OE1-NZ 3.14Å; E313-K336 VanDerWaalsContact OE2-CE 3.23Å; E313-K336 WeakPolarHBondContact OE2-CE 3.12Å; E313-K336 IonicContact OE2-NZ 2.62Å; E313-K336 PolarHBondContact OE2-NZ 3.19Å; L332-K336 WeakPolarHBondContact O-CG 3.48Å; L332-K336 PolarHBondContact O-N 2.71Å; E333-K336 PolarHBondContact O-N 3.05Å; E333-K336 IonicContact OE1-NZ 2.71Å; E333-K336 PolarHBondContact OE1-NZ 3.43Å; K336-F339 WeakPolarHBondContact O-CB 3.47Å; K336-F339 PolarHBondContact O-N 2.99Å; K336-K340 WeakPolarHBondContact O-CB 3.13Å; K336-K340 PolarHBondContact O-N 3.36Å
337	Q	60.2	Low	56	Low	90 Å²	90	67.6 Å²	67.6	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-46.4	-178.3	-168.9	63.8	20.3	0	0	110.7	E333 A334 F339 K340 D341	E333-Q337 VanDerWaalsContact O-CB 3.32Å; E333-Q337 WeakPolarHBondContact O-CB 3.37Å; E333-Q337 PolarHBondContact O-N 3.06Å; A334-Q337 PolarHBondContact O-N 2.78Å; Q337-F339 PolarHBondContact O-N 2.77Å; Q337-K340 PolarHBondContact O-N 3.41Å; Q337-D341 WeakPolarHBondContact CG-OD2 3.15Å; Q337-D341 PolarHBondContact NE2-OD1 3.06Å; Q337-D341 PolarHBondContact NE2-OD2 3.4Å; Q337-D341 WeakPolarHBondContact O-CB 3.37Å; Q337-D341 PolarHBondContact O-N 2.95Å
338	V	54.5	Low	55.6	Low	94 Å²	94	72 Å²	72	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-56	-43.3	173.3	170.9	0	0	0	0	110.7	A334 S342	A334-V338 VanDerWaalsContact O-CG2 3.32Å; A334-V338 WeakPolarHBondContact O-CG2 3.47Å; A334-V338 PolarHBondContact O-N 3.14Å; V338-S342 WeakPolarHBondContact O-CB 3.42Å; V338-S342 PolarHBondContact O-N 3.43Å; V338-S342 PolarHBondContact O-OG 2.83Å
339	F	51	Low	55.3	Low	20 Å²	20	80.5 Å²	80.5	9%	0.088	40%	0.403	C	S	.	.	H	α-helix	trans	-65.7	-46.3	177.9	-172	-99.8	0	0	0	113.3	V335 K336 Q337 V343 V344 A359 M360 L363	V335-F339 WeakPolarHBondContact O-CB 3.25Å; V335-F339 PolarHBondContact O-N 3.04Å; K336-F339 WeakPolarHBondContact O-CB 3.47Å; K336-F339 PolarHBondContact O-N 2.99Å; Q337-F339 PolarHBondContact O-N 2.77Å; F339-V343 HydrophobicContact CD2-CB 4.07Å; F339-V343 HydrophobicContact CD2-CG1 4.47Å; F339-V343 HydrophobicContact CD2-CG2 3.99Å; F339-V343 HydrophobicContact CE2-CB 4.06Å; F339-V343 HydrophobicContact CE2-CG1 4.02Å; F339-V343 HydrophobicContact CE2-CG2 4.33Å; F339-V343 WeakPolarHBondContact O-CA 3.35Å; F339-V343 WeakPolarHBondContact O-CB 3.32Å; F339-V343 PolarHBondContact O-N 2.9Å; F339-V344 HydrophobicContact CD1-CG2 4.1Å; F339-V344 HydrophobicContact CE1-CG2 3.8Å; F339-V344 PolarHBondContact O-N 3.24Å; F339-A359 VanDerWaalsContact CE2-C 3.46Å; F339-A359 HydrophobicContact CE2-CB 3.88Å; F339-A359 WeakPolarHBondContact CE2-O 3.3Å; F339-A359 HydrophobicContact CZ-CB 4.03Å; F339-M360 HydrophobicContact CE1-CG 4.44Å; F339-M360 HydrophobicContact CZ-CB 4.47Å; F339-M360 HydrophobicContact CZ-CG 3.91Å; F339-L363 HydrophobicContact CB-CD1 3.79Å; F339-L363 HydrophobicContact CB-CD2 4.36Å; F339-L363 HydrophobicContact CD1-CD2 3.71Å; F339-L363 HydrophobicContact CD2-CB 3.89Å; F339-L363 HydrophobicContact CD2-CD1 3.8Å; F339-L363 HydrophobicContact CD2-CD2 4.09Å; F339-L363 HydrophobicContact CD2-CG 4.16Å; F339-L363 HydrophobicContact CE1-CD2 3.97Å; F339-L363 HydrophobicContact CE2-CB 3.82Å; F339-L363 HydrophobicContact CE2-CD2 4.34Å; F339-L363 HydrophobicContact CE2-CG 4.48Å; F339-L363 HydrophobicContact CG-CB 4.42Å; F339-L363 HydrophobicContact CG-CD1 3.78Å; F339-L363 HydrophobicContact CG-CD2 3.77Å; F339-L363 HydrophobicContact CG-CG 4.23Å; F339-L363 HydrophobicContact CZ-CB 4.28Å; F339-L363 HydrophobicContact CZ-CD2 4.27Å
340	K	56.3	Low	54.8	Low	126 Å²	126	82.7 Å²	82.7	55%	0.548	41%	0.412	S	S	.	.	I	π-helix	trans	-63.2	-50.3	-179.7	-172.7	-177.1	176.3	-170.8	0	111	K336 Q337	K336-K340 WeakPolarHBondContact O-CB 3.13Å; K336-K340 PolarHBondContact O-N 3.36Å; Q337-K340 PolarHBondContact O-N 3.41Å
341	D	52.3	Low	54.3	Low	80 Å²	80	82.5 Å²	82.5	43%	0.428	41%	0.411	S	S	.	.	I	π-helix	trans	-76.4	-39.2	-173.4	-64.3	-8.5	0	0	0	112.2	Q337	Q337-D341 WeakPolarHBondContact CG-OD2 3.15Å; Q337-D341 PolarHBondContact NE2-OD1 3.06Å; Q337-D341 PolarHBondContact NE2-OD2 3.4Å; Q337-D341 WeakPolarHBondContact O-CB 3.37Å; Q337-D341 PolarHBondContact O-N 2.95Å
342	S	50.6	Low	54.1	Low	59 Å²	59	80.9 Å²	80.9	41%	0.413	41%	0.405	S	S	.	.	I	π-helix	trans	-88.4	-36.4	-174.1	-51	0	0	0	0	112.2	V338 M346	V338-S342 WeakPolarHBondContact O-CB 3.42Å; V338-S342 PolarHBondContact O-N 3.43Å; V338-S342 PolarHBondContact O-OG 2.83Å; S342-M346 VanDerWaalsContact O-CB 3.29Å; S342-M346 WeakPolarHBondContact O-CB 3.27Å; S342-M346 WeakPolarHBondContact O-CE 3.38Å
343	V	48.5	Very low	53.7	Low	39 Å²	39	84.6 Å²	84.6	24%	0.236	43%	0.43	C	S	.	.	I	π-helix	trans	-108.2	-49.3	-162.1	-165.2	0	0	0	0	111.6	F339 I347 A359	F339-V343 HydrophobicContact CD2-CB 4.07Å; F339-V343 HydrophobicContact CD2-CG1 4.47Å; F339-V343 HydrophobicContact CD2-CG2 3.99Å; F339-V343 HydrophobicContact CE2-CB 4.06Å; F339-V343 HydrophobicContact CE2-CG1 4.02Å; F339-V343 HydrophobicContact CE2-CG2 4.33Å; F339-V343 WeakPolarHBondContact O-CA 3.35Å; F339-V343 WeakPolarHBondContact O-CB 3.32Å; F339-V343 PolarHBondContact O-N 2.9Å; V343-I347 HydrophobicContact CG1-CD1 3.49Å; V343-I347 VanDerWaalsContact CG1-CD1 3.49Å; V343-I347 WeakPolarHBondContact O-CB 2.85Å; V343-I347 WeakPolarHBondContact O-CD1 3.02Å; V343-I347 WeakPolarHBondContact O-CG1 3.45Å; V343-I347 PolarHBondContact O-N 3.29Å; V343-I347 VanDerWaalsContact O-N 3.14Å; V343-A359 HydrophobicContact CB-CB 4.37Å; V343-A359 HydrophobicContact CG1-CB 3.04Å
344	V	50.7	Low	53.5	Low	29 Å²	29	85.5 Å²	85.5	18%	0.176	44%	0.438	C	S	.	.	I	π-helix	trans	-65.3	-46.4	179	177.2	0	0	0	0	111	F339 M346 I347 L348	F339-V344 HydrophobicContact CD1-CG2 4.1Å; F339-V344 HydrophobicContact CE1-CG2 3.8Å; F339-V344 PolarHBondContact O-N 3.24Å; V344-M346 PolarHBondContact O-N 3.47Å; V344-I347 PolarHBondContact O-N 2.88Å; V344-L348 HydrophobicContact CG1-CD1 3.64Å; V344-L348 HydrophobicContact CG1-CG 4.11Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 VanDerWaalsContact O-CG 3.29Å; V344-L348 WeakPolarHBondContact O-CG 3.45Å; V344-L348 PolarHBondContact O-N 2.79Å
345	D	48.9	Very low	53.1	Low	70 Å²	70	84.3 Å²	84.3	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-42.8	179.1	-86.8	8	0	0	0	112.8	I347 R349	D345-I347 VanDerWaalsContact C-N 3.28Å; D345-I347 PolarHBondContact O-N 3.36Å; D345-R349 WeakPolarHBondContact O-CB 3.33Å; D345-R349 VanDerWaalsContact O-CG 3.22Å; D345-R349 WeakPolarHBondContact O-CG 3.28Å; D345-R349 PolarHBondContact O-N 2.02Å
346	M	45.1	Very low	53	Low	109 Å²	109	84.2 Å²	84.2	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-35.7	179.4	-160.9	-168.9	-41.2	0	0	111.9	S342 V344 K350	S342-M346 VanDerWaalsContact O-CB 3.29Å; S342-M346 WeakPolarHBondContact O-CB 3.27Å; S342-M346 WeakPolarHBondContact O-CE 3.38Å; V344-M346 PolarHBondContact O-N 3.47Å; M346-K350 WeakPolarHBondContact O-CB 3.35Å; M346-K350 WeakPolarHBondContact O-CG 3.29Å; M346-K350 PolarHBondContact O-N 2.97Å
347	I	48	Very low	52.8	Low	18 Å²	18	85.9 Å²	85.9	9%	0.092	43%	0.433	C	S	.	.	H	α-helix	trans	-82.4	-38.6	-176.1	-65.8	165	0	0	0	111.8	V343 V344 D345 R349 K350 Q351 I352 A355 L356 A359	V343-I347 HydrophobicContact CG1-CD1 3.49Å; V343-I347 VanDerWaalsContact CG1-CD1 3.49Å; V343-I347 WeakPolarHBondContact O-CB 2.85Å; V343-I347 WeakPolarHBondContact O-CD1 3.02Å; V343-I347 WeakPolarHBondContact O-CG1 3.45Å; V343-I347 PolarHBondContact O-N 3.29Å; V343-I347 VanDerWaalsContact O-N 3.14Å; V344-I347 PolarHBondContact O-N 2.88Å; D345-I347 VanDerWaalsContact C-N 3.28Å; D345-I347 PolarHBondContact O-N 3.36Å; I347-R349 VanDerWaalsContact C-N 3.31Å; I347-K350 PolarHBondContact O-N 2.87Å; I347-Q351 WeakPolarHBondContact O-CA 3.48Å; I347-Q351 PolarHBondContact O-N 3.26Å; I347-I352 WeakPolarHBondContact CG2-O 3.37Å; I347-A355 HydrophobicContact CD1-CB 4.04Å; I347-A355 WeakPolarHBondContact CD1-O 3.39Å; I347-A355 HydrophobicContact CG1-CB 3.85Å; I347-A355 HydrophobicContact CG2-CB 4.33Å; I347-L356 HydrophobicContact CB-CD1 4.48Å; I347-L356 HydrophobicContact CD1-CD1 4.27Å; I347-L356 HydrophobicContact CG2-CB 3.68Å; I347-L356 HydrophobicContact CG2-CD1 4.12Å; I347-L356 HydrophobicContact CG2-CG 4.42Å; I347-A359 HydrophobicContact CD1-CB 3.67Å
348	L	49.2	Very low	52.7	Low	117 Å²	117	86 Å²	86	61%	0.613	44%	0.436	S	S	*	.	H	α-helix	trans	-62.6	-39.8	172	-72.9	175.8	0	0	0	111.1	V344	V344-L348 HydrophobicContact CG1-CD1 3.64Å; V344-L348 HydrophobicContact CG1-CG 4.11Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 VanDerWaalsContact O-CG 3.29Å; V344-L348 WeakPolarHBondContact O-CG 3.45Å; V344-L348 PolarHBondContact O-N 2.79Å
349	R	52.6	Low	52.8	Low	207 Å²	207	82 Å²	82	78%	0.781	41%	0.414	S	S	*	.	H	α-helix	trans	-67.7	-35.1	176.3	-72.9	178.2	-170.5	-165.6	6.1	113.4	D345 I347	D345-R349 WeakPolarHBondContact O-CB 3.33Å; D345-R349 VanDerWaalsContact O-CG 3.22Å; D345-R349 WeakPolarHBondContact O-CG 3.28Å; D345-R349 PolarHBondContact O-N 2.02Å; I347-R349 VanDerWaalsContact C-N 3.31Å
350	K	56.2	Low	52.9	Low	146 Å²	146	81.6 Å²	81.6	64%	0.635	41%	0.412	S	S	*	.	H	α-helix	trans	-95.8	-6	-177.7	-68.5	-170.6	174.7	-175.7	0	114.9	M346 I347 I352	M346-K350 WeakPolarHBondContact O-CB 3.35Å; M346-K350 WeakPolarHBondContact O-CG 3.29Å; M346-K350 PolarHBondContact O-N 2.97Å; I347-K350 PolarHBondContact O-N 2.87Å; K350-I352 HydrophobicContact CB-CD1 3.96Å; K350-I352 HydrophobicContact CB-CG1 3.94Å; K350-I352 HydrophobicContact CD-CD1 4.47Å; K350-I352 WeakPolarHBondContact O-CG1 3.41Å; K350-I352 PolarHBondContact O-N 3.45Å
351	Q	51.9	Low	52.9	Low	171 Å²	171	80 Å²	80	80%	0.799	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	50.6	-177.9	-60.6	-174.1	14.3	0	0	113.7	I347 P353	I347-Q351 WeakPolarHBondContact O-CA 3.48Å; I347-Q351 PolarHBondContact O-N 3.26Å; Q351-P353 WeakPolarHBondContact O-CD 3.4Å
352	I	54.3	Low	53	Low	81 Å²	81	82 Å²	82	42%	0.415	41%	0.412	S	S	.	.			trans	-110.8	94.1	178.9	-48.9	178.8	0	0	0	109.1	I347 K350 D354 A355 L356	I347-I352 WeakPolarHBondContact CG2-O 3.37Å; K350-I352 HydrophobicContact CB-CD1 3.96Å; K350-I352 HydrophobicContact CB-CG1 3.94Å; K350-I352 HydrophobicContact CD-CD1 4.47Å; K350-I352 WeakPolarHBondContact O-CG1 3.41Å; K350-I352 PolarHBondContact O-N 3.45Å; I352-D354 VanDerWaalsContact C-N 3.27Å; I352-D354 PolarHBondContact O-N 2.88Å; I352-A355 HydrophobicContact CB-CB 3.82Å; I352-A355 HydrophobicContact CG2-CB 3.78Å; I352-A355 WeakPolarHBondContact O-CB 3.02Å; I352-A355 PolarHBondContact O-N 3.3Å; I352-L356 PolarHBondContact O-N 2.82Å
353	P	54.8	Low	53.2	Low	89 Å²	89	79.6 Å²	79.6	58%	0.578	40%	0.395	S	S	*	.	H	α-helix	trans	-59.4	-36.2	-175.1	-22.7	33	0	0	0	113.3	Q351 A355 L356 K357	Q351-P353 WeakPolarHBondContact O-CD 3.4Å; P353-A355 VanDerWaalsContact C-N 3.32Å; P353-A355 PolarHBondContact O-N 3.49Å; P353-L356 WeakPolarHBondContact O-CB 3.45Å; P353-L356 PolarHBondContact O-N 3.32Å; P353-K357 PolarHBondContact O-N 3.43Å; P353-K357 VanDerWaalsContact O-N 3.14Å
354	D	59.5	Low	53.4	Low	110 Å²	110	78 Å²	78	59%	0.588	39%	0.385	S	S	*	.	H	α-helix	trans	-67.8	-33.1	178.1	-71.4	-36.4	0	0	0	112.5	I352 L356 K357 N358	I352-D354 VanDerWaalsContact C-N 3.27Å; I352-D354 PolarHBondContact O-N 2.88Å; D354-L356 VanDerWaalsContact C-N 3.32Å; D354-L356 PolarHBondContact O-N 3.06Å; D354-K357 PolarHBondContact O-N 2.8Å; D354-N358 WeakPolarHBondContact O-CB 3.14Å; D354-N358 PolarHBondContact O-N 2.75Å; D354-N358 PolarHBondContact O-ND2 3.32Å
355	A	55.7	Low	53.6	Low	32 Å²	32	80.1 Å²	80.1	26%	0.264	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-40.6	173.4	0	0	0	0	0	110.4	I347 I352 P353 K357 N358 A359	I347-A355 HydrophobicContact CD1-CB 4.04Å; I347-A355 WeakPolarHBondContact CD1-O 3.39Å; I347-A355 HydrophobicContact CG1-CB 3.85Å; I347-A355 HydrophobicContact CG2-CB 4.33Å; I352-A355 HydrophobicContact CB-CB 3.82Å; I352-A355 HydrophobicContact CG2-CB 3.78Å; I352-A355 WeakPolarHBondContact O-CB 3.02Å; I352-A355 PolarHBondContact O-N 3.3Å; P353-A355 VanDerWaalsContact C-N 3.32Å; P353-A355 PolarHBondContact O-N 3.49Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 2.75Å; A355-N358 PolarHBondContact O-N 3.41Å; A355-A359 WeakPolarHBondContact O-CB 3.25Å; A355-A359 PolarHBondContact O-N 3.32Å
356	L	53.6	Low	53.7	Low	34 Å²	34	79 Å²	79	18%	0.178	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-42.7	177.9	-166.6	60	0	0	0	111	L300 I347 I352 P353 D354 A359 M360	L300-L356 HydrophobicContact CD2-CD2 4.15Å; L300-L356 HydrophobicContact CD2-CG 4.28Å; I347-L356 HydrophobicContact CB-CD1 4.48Å; I347-L356 HydrophobicContact CD1-CD1 4.27Å; I347-L356 HydrophobicContact CG2-CB 3.68Å; I347-L356 HydrophobicContact CG2-CD1 4.12Å; I347-L356 HydrophobicContact CG2-CG 4.42Å; I352-L356 PolarHBondContact O-N 2.82Å; P353-L356 WeakPolarHBondContact O-CB 3.45Å; P353-L356 PolarHBondContact O-N 3.32Å; D354-L356 VanDerWaalsContact C-N 3.32Å; D354-L356 PolarHBondContact O-N 3.06Å; L356-A359 WeakPolarHBondContact O-CB 3.33Å; L356-M360 HydrophobicContact CD1-CE 3.74Å; L356-M360 HydrophobicContact CD1-SD 4.44Å; L356-M360 HydrophobicContact CD2-CE 3.88Å; L356-M360 HydrophobicContact CD2-SD 4.5Å; L356-M360 HydrophobicContact CG-CE 3.62Å; L356-M360 HydrophobicContact CG-SD 3.91Å; L356-M360 WeakPolarHBondContact O-CB 3.46Å; L356-M360 WeakPolarHBondContact O-CG 3.29Å; L356-M360 PolarHBondContact O-N 2.92Å
357	K	54.8	Low	54	Low	83 Å²	83	74.1 Å²	74.1	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-43.1	178.1	-171	179.4	-179.8	-179.9	0	111.8	L300 P353 D354 A355 R361	L300-K357 HydrophobicContact CD2-CB 4.47Å; P353-K357 PolarHBondContact O-N 3.43Å; P353-K357 VanDerWaalsContact O-N 3.14Å; D354-K357 PolarHBondContact O-N 2.8Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 2.75Å; K357-R361 WeakPolarHBondContact O-CB 3.07Å; K357-R361 VanDerWaalsContact O-CG 3.32Å; K357-R361 WeakPolarHBondContact O-CG 3.38Å; K357-R361 PolarHBondContact O-N 3.11Å
358	N	59	Low	54.2	Low	92 Å²	92	76.6 Å²	76.6	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-40.4	178.1	-72.6	-18.8	0	0	0	112.3	D354 A355 R361 L362	D354-N358 WeakPolarHBondContact O-CB 3.14Å; D354-N358 PolarHBondContact O-N 2.75Å; D354-N358 PolarHBondContact O-ND2 3.32Å; A355-N358 PolarHBondContact O-N 3.41Å; N358-R361 WeakPolarHBondContact O-CB 3.42Å; N358-R361 PolarHBondContact O-N 2.85Å; N358-L362 PolarHBondContact O-N 3.34Å
359	A	55.2	Low	54.3	Low	11 Å²	11	74.9 Å²	74.9	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-55.6	-55.5	170.3	0	0	0	0	0	112.5	F339 V343 I347 A355 L356 R361 L362 L363	F339-A359 VanDerWaalsContact CE2-C 3.46Å; F339-A359 HydrophobicContact CE2-CB 3.88Å; F339-A359 WeakPolarHBondContact CE2-O 3.3Å; F339-A359 HydrophobicContact CZ-CB 4.03Å; V343-A359 HydrophobicContact CB-CB 4.37Å; V343-A359 HydrophobicContact CG1-CB 3.04Å; I347-A359 HydrophobicContact CD1-CB 3.67Å; A355-A359 WeakPolarHBondContact O-CB 3.25Å; A355-A359 PolarHBondContact O-N 3.32Å; L356-A359 WeakPolarHBondContact O-CB 3.33Å; A359-R361 PolarHBondContact O-N 2.84Å; A359-L362 WeakPolarHBondContact O-CA 3.37Å; A359-L362 WeakPolarHBondContact O-CB 3.24Å; A359-L362 PolarHBondContact O-N 3.36Å; A359-L363 PolarHBondContact O-N 2.86Å
360	M	53.6	Low	54.2	Low	10 Å²	10	67.5 Å²	67.5	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-36.1	180	-71.5	168.9	169.9	0	0	111.5	L300 I303 R304 L307 F339 L356 L363 F364	L300-M360 HydrophobicContact CD2-SD 3.71Å; I303-M360 HydrophobicContact CB-SD 4.29Å; I303-M360 HydrophobicContact CG2-CB 3.57Å; I303-M360 HydrophobicContact CG2-CG 3.81Å; I303-M360 HydrophobicContact CG2-SD 3.34Å; I303-M360 WeakPolarHBondContact CG2-SD 3.46Å; R304-M360 HydrophobicContact CB-CE 4.43Å; L307-M360 HydrophobicContact CD1-CB 4.25Å; L307-M360 HydrophobicContact CD1-CG 4.46Å; F339-M360 HydrophobicContact CE1-CG 4.44Å; F339-M360 HydrophobicContact CZ-CB 4.47Å; F339-M360 HydrophobicContact CZ-CG 3.91Å; L356-M360 HydrophobicContact CD1-CE 3.74Å; L356-M360 HydrophobicContact CD1-SD 4.44Å; L356-M360 HydrophobicContact CD2-CE 3.88Å; L356-M360 HydrophobicContact CD2-SD 4.5Å; L356-M360 HydrophobicContact CG-CE 3.62Å; L356-M360 HydrophobicContact CG-SD 3.91Å; L356-M360 WeakPolarHBondContact O-CB 3.46Å; L356-M360 WeakPolarHBondContact O-CG 3.29Å; L356-M360 PolarHBondContact O-N 2.92Å; M360-L363 PolarHBondContact O-N 3.29Å; M360-F364 WeakPolarHBondContact O-CD2 3.03Å; M360-F364 PolarHBondContact O-N 3.34Å
361	R	55.6	Low	53.8	Low	93 Å²	93	60.5 Å²	60.5	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-46.7	170.3	-81.2	173	173.4	166.6	-7.8	112.1	K357 N358 A359 L363 F364 D365	K357-R361 WeakPolarHBondContact O-CB 3.07Å; K357-R361 VanDerWaalsContact O-CG 3.32Å; K357-R361 WeakPolarHBondContact O-CG 3.38Å; K357-R361 PolarHBondContact O-N 3.11Å; N358-R361 WeakPolarHBondContact O-CB 3.42Å; N358-R361 PolarHBondContact O-N 2.85Å; A359-R361 PolarHBondContact O-N 2.84Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 3.42Å; R361-F364 CarbonylContact O-C 3.53Å; R361-F364 WeakPolarHBondContact O-CB 3.49Å; R361-F364 PolarHBondContact O-N 2.96Å; R361-F364 VanDerWaalsContact O-N 3.11Å; R361-D365 PolarHBondContact O-N 3.45Å
362	L	55	Low	53.7	Low	121 Å²	121	55.3 Å²	55.3	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-38.5	178	-161.2	127	0	0	0	111.6	N358 A359 D365 V366	N358-L362 PolarHBondContact O-N 3.34Å; A359-L362 WeakPolarHBondContact O-CA 3.37Å; A359-L362 WeakPolarHBondContact O-CB 3.24Å; A359-L362 PolarHBondContact O-N 3.36Å; L362-D365 WeakPolarHBondContact O-CB 3.18Å; L362-D365 PolarHBondContact O-N 3.36Å; L362-V366 WeakPolarHBondContact O-CG2 3.4Å; L362-V366 PolarHBondContact O-N 2.79Å
363	L	54.4	Low	53.3	Low	10 Å²	10	56.1 Å²	56.1	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-41.4	174.2	-165.3	72.6	0	0	0	112.4	L307 V335 F339 A359 M360 R361 D365 V366 F367	L307-L363 HydrophobicContact CB-CD2 4.25Å; L307-L363 HydrophobicContact CD1-CB 4.5Å; L307-L363 HydrophobicContact CD1-CD2 3.92Å; L307-L363 HydrophobicContact CD2-CB 4.44Å; L307-L363 HydrophobicContact CD2-CD2 3.41Å; L307-L363 VanDerWaalsContact CD2-CD2 3.41Å; L307-L363 HydrophobicContact CD2-CG 3.88Å; L307-L363 HydrophobicContact CG-CD2 4.04Å; V335-L363 HydrophobicContact CG1-CD1 3.73Å; F339-L363 HydrophobicContact CB-CD1 3.79Å; F339-L363 HydrophobicContact CB-CD2 4.36Å; F339-L363 HydrophobicContact CD1-CD2 3.71Å; F339-L363 HydrophobicContact CD2-CB 3.89Å; F339-L363 HydrophobicContact CD2-CD1 3.8Å; F339-L363 HydrophobicContact CD2-CD2 4.09Å; F339-L363 HydrophobicContact CD2-CG 4.16Å; F339-L363 HydrophobicContact CE1-CD2 3.97Å; F339-L363 HydrophobicContact CE2-CB 3.82Å; F339-L363 HydrophobicContact CE2-CD2 4.34Å; F339-L363 HydrophobicContact CE2-CG 4.48Å; F339-L363 HydrophobicContact CG-CB 4.42Å; F339-L363 HydrophobicContact CG-CD1 3.78Å; F339-L363 HydrophobicContact CG-CD2 3.77Å; F339-L363 HydrophobicContact CG-CG 4.23Å; F339-L363 HydrophobicContact CZ-CB 4.28Å; F339-L363 HydrophobicContact CZ-CD2 4.27Å; A359-L363 PolarHBondContact O-N 2.86Å; M360-L363 PolarHBondContact O-N 3.29Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 3.42Å; L363-D365 VanDerWaalsContact C-N 3.27Å; L363-D365 PolarHBondContact O-N 3.02Å; L363-V366 WeakPolarHBondContact O-CB 3.46Å; L363-V366 PolarHBondContact O-N 3.21Å; L363-F367 HydrophobicContact CD2-CE2 4.33Å; L363-F367 HydrophobicContact CG-CD2 4.25Å; L363-F367 HydrophobicContact CG-CE2 4.13Å; L363-F367 WeakPolarHBondContact O-CD2 3.33Å; L363-F367 PolarHBondContact O-N 2.03Å
364	F	54	Low	52.9	Low	4 Å²	4	54.7 Å²	54.7	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-36.4	171.7	-82	-70.8	0	0	0	112.4	A291 L294 I303 L307 I312 M360 R361 V366 F367 K368	A291-F364 HydrophobicContact CB-CD1 4.04Å; A291-F364 HydrophobicContact CB-CE1 4.48Å; L294-F364 HydrophobicContact CB-CE1 3.7Å; L294-F364 HydrophobicContact CB-CE2 4.35Å; L294-F364 HydrophobicContact CB-CZ 3.52Å; L294-F364 HydrophobicContact CD1-CE1 3.97Å; L294-F364 HydrophobicContact CD1-CZ 4.17Å; L294-F364 HydrophobicContact CG-CZ 4.48Å; I303-F364 HydrophobicContact CB-CE2 4.24Å; I303-F364 HydrophobicContact CG1-CE2 4.1Å; I303-F364 HydrophobicContact CG2-CE2 3.58Å; I303-F364 HydrophobicContact CG2-CZ 4.25Å; L307-F364 HydrophobicContact CD1-CD2 3.95Å; L307-F364 HydrophobicContact CD1-CE2 3.68Å; L307-F364 HydrophobicContact CD1-CG 4.47Å; L307-F364 HydrophobicContact CD1-CZ 3.97Å; L307-F364 HydrophobicContact CD2-CD1 4.47Å; L307-F364 HydrophobicContact CG-CE1 4.35Å; L307-F364 HydrophobicContact CG-CE2 4.3Å; L307-F364 HydrophobicContact CG-CZ 4.08Å; I312-F364 HydrophobicContact CD1-CD1 3.79Å; I312-F364 HydrophobicContact CD1-CE1 3.08Å; I312-F364 HydrophobicContact CD1-CZ 3.82Å; I312-F364 HydrophobicContact CG1-CE1 4.21Å; M360-F364 WeakPolarHBondContact O-CD2 3.03Å; M360-F364 PolarHBondContact O-N 3.34Å; R361-F364 CarbonylContact O-C 3.53Å; R361-F364 WeakPolarHBondContact O-CB 3.49Å; R361-F364 PolarHBondContact O-N 2.96Å; R361-F364 VanDerWaalsContact O-N 3.11Å; F364-V366 VanDerWaalsContact C-N 3.32Å; F364-F367 PolarHBondContact O-N 2.83Å; F364-K368 WeakPolarHBondContact O-CB 3.46Å; F364-K368 PolarHBondContact O-N 3.02Å
365	D	53.3	Low	52.2	Low	75 Å²	75	50 Å²	50	40%	0.401	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-38.5	174.2	-70.5	-33.5	0	0	0	110.2	R361 L362 L363 K368 D369	R361-D365 PolarHBondContact O-N 3.45Å; L362-D365 WeakPolarHBondContact O-CB 3.18Å; L362-D365 PolarHBondContact O-N 3.36Å; L363-D365 VanDerWaalsContact C-N 3.27Å; L363-D365 PolarHBondContact O-N 3.02Å; D365-K368 CarbonylContact O-C 3.56Å; D365-K368 WeakPolarHBondContact O-CB 3.49Å; D365-K368 PolarHBondContact O-N 3.07Å; D365-D369 VanDerWaalsContact O-CB 3.32Å; D365-D369 WeakPolarHBondContact O-CB 3.37Å; D365-D369 PolarHBondContact O-N 3.04Å
366	V	52.8	Low	51.7	Low	45 Å²	45	50 Å²	50	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-48.5	170.9	172.3	0	0	0	0	112.2	V335 L362 L363 F364 K368 D369 F370	V335-V366 HydrophobicContact CG1-CG1 3.86Å; V335-V366 HydrophobicContact CG2-CG1 4.49Å; L362-V366 WeakPolarHBondContact O-CG2 3.4Å; L362-V366 PolarHBondContact O-N 2.79Å; L363-V366 WeakPolarHBondContact O-CB 3.46Å; L363-V366 PolarHBondContact O-N 3.21Å; F364-V366 VanDerWaalsContact C-N 3.32Å; V366-K368 VanDerWaalsContact C-N 3.26Å; V366-K368 PolarHBondContact O-N 3.39Å; V366-D369 PolarHBondContact O-N 3.45Å; V366-D369 VanDerWaalsContact O-N 3.14Å; V366-F370 HydrophobicContact CG1-CD2 3.78Å; V366-F370 HydrophobicContact CG1-CE2 3.51Å; V366-F370 WeakPolarHBondContact O-CD2 3.44Å; V366-F370 PolarHBondContact O-N 2.99Å
367	F	51.2	Low	51.3	Low	7 Å²	7	49.3 Å²	49.3	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-38	174.9	-86.7	-76.2	0	0	0	112.4	L307 I312 F316 L332 L363 F364 G371	L307-F367 HydrophobicContact CD2-CD2 3.6Å; L307-F367 HydrophobicContact CD2-CE2 3.36Å; L307-F367 HydrophobicContact CD2-CZ 4.38Å; I312-F367 HydrophobicContact CG2-CB 4.47Å; I312-F367 HydrophobicContact CG2-CD1 3.98Å; I312-F367 HydrophobicContact CG2-CE1 4.31Å; I312-F367 HydrophobicContact CG2-CG 4.15Å; F316-F367 AromaticContact CD2-CD1 3.87Å; F316-F367 HydrophobicContact CD2-CD1 3.87Å; F316-F367 HydrophobicContact CD2-CE1 4.38Å; F316-F367 HydrophobicContact CE2-CB 4.1Å; F316-F367 AromaticContact CE2-CD1 3.71Å; F316-F367 HydrophobicContact CE2-CD1 3.71Å; F316-F367 HydrophobicContact CE2-CG 4.33Å; F316-F367 WeakPolarHBondContact CZ-O 3.25Å; L332-F367 HydrophobicContact CD1-CD1 4.4Å; L332-F367 HydrophobicContact CD1-CE1 3.45Å; L332-F367 VanDerWaalsContact CD1-CE1 3.45Å; L332-F367 HydrophobicContact CD1-CE2 4.46Å; L332-F367 HydrophobicContact CD1-CZ 3.51Å; L332-F367 HydrophobicContact CD2-CE1 4.27Å; L363-F367 HydrophobicContact CD2-CE2 4.33Å; L363-F367 HydrophobicContact CG-CD2 4.25Å; L363-F367 HydrophobicContact CG-CE2 4.13Å; L363-F367 WeakPolarHBondContact O-CD2 3.33Å; L363-F367 PolarHBondContact O-N 2.03Å; F364-F367 PolarHBondContact O-N 2.83Å; F367-G371 PolarHBondContact O-N 3.43Å
368	K	52.1	Low	51	Low	70 Å²	70	45.9 Å²	45.9	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-47.1	173.5	166.6	177.4	150.6	-74	0	109.3	F364 D365 V366 F370 G371 T372	F364-K368 WeakPolarHBondContact O-CB 3.46Å; F364-K368 PolarHBondContact O-N 3.02Å; D365-K368 CarbonylContact O-C 3.56Å; D365-K368 WeakPolarHBondContact O-CB 3.49Å; D365-K368 PolarHBondContact O-N 3.07Å; V366-K368 VanDerWaalsContact C-N 3.26Å; V366-K368 PolarHBondContact O-N 3.39Å; K368-F370 VanDerWaalsContact C-N 3.33Å; K368-F370 PolarHBondContact O-N 3.04Å; K368-G371 CarbonylContact O-C 3.56Å; K368-G371 WeakPolarHBondContact O-CA 3.5Å; K368-G371 PolarHBondContact O-N 3.24Å; K368-T372 WeakPolarHBondContact CG-OG1 2.83Å; K368-T372 WeakPolarHBondContact O-CA 3.49Å; K368-T372 VanDerWaalsContact O-CB 3.24Å; K368-T372 WeakPolarHBondContact O-CB 3.47Å; K368-T372 PolarHBondContact O-N 3.18Å; K368-T372 PolarHBondContact O-OG1 2.85Å
369	D	51.1	Low	50.6	Low	82 Å²	82	43 Å²	43	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-65	-40.9	-177.5	-67.2	-11.1	0	0	0	109.7	D365 V366 G371 T372 E373	D365-D369 VanDerWaalsContact O-CB 3.32Å; D365-D369 WeakPolarHBondContact O-CB 3.37Å; D365-D369 PolarHBondContact O-N 3.04Å; V366-D369 PolarHBondContact O-N 3.45Å; V366-D369 VanDerWaalsContact O-N 3.14Å; D369-G371 PolarHBondContact O-N 2.79Å; D369-T372 PolarHBondContact O-N 2.97Å; D369-E373 WeakPolarHBondContact O-CA 3.21Å; D369-E373 WeakPolarHBondContact O-CB 2.9Å; D369-E373 PolarHBondContact O-N 3.39Å
370	F	50.3	Low	50.6	Low	51 Å²	51	43.9 Å²	43.9	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-53.6	-54.6	165.6	-80.3	-64.2	0	0	0	111.6	V335 V366 K368 T372 W374	V335-F370 HydrophobicContact CG2-CE2 4.11Å; V335-F370 HydrophobicContact CG2-CZ 4.27Å; V366-F370 HydrophobicContact CG1-CD2 3.78Å; V366-F370 HydrophobicContact CG1-CE2 3.51Å; V366-F370 WeakPolarHBondContact O-CD2 3.44Å; V366-F370 PolarHBondContact O-N 2.99Å; K368-F370 VanDerWaalsContact C-N 3.33Å; K368-F370 PolarHBondContact O-N 3.04Å; F370-T372 VanDerWaalsContact C-N 3.28Å; F370-T372 PolarHBondContact O-N 2.81Å; F370-W374 WeakPolarHBondContact O-CB 3.26Å; F370-W374 PolarHBondContact O-N 2.87Å
371	G	48.2	Very low	50.6	Low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-33.4	-179.6	0	0	0	0	0	114.1	F367 K368 D369 S375	F367-G371 PolarHBondContact O-N 3.43Å; K368-G371 CarbonylContact O-C 3.56Å; K368-G371 WeakPolarHBondContact O-CA 3.5Å; K368-G371 PolarHBondContact O-N 3.24Å; D369-G371 PolarHBondContact O-N 2.79Å; G371-S375 WeakPolarHBondContact O-CB 3.45Å; G371-S375 PolarHBondContact O-N 3.49Å; G371-S375 PolarHBondContact O-OG 3.33Å; G371-S375 VanDerWaalsContact O-OG 3.05Å
372	T	49.1	Very low	50.8	Low	62 Å²	62	45 Å²	45	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-84.6	-34.2	-175.2	-43.3	0	0	0	0	111.1	K368 D369 F370 S375 G376	K368-T372 WeakPolarHBondContact CG-OG1 2.83Å; K368-T372 WeakPolarHBondContact O-CA 3.49Å; K368-T372 VanDerWaalsContact O-CB 3.24Å; K368-T372 WeakPolarHBondContact O-CB 3.47Å; K368-T372 PolarHBondContact O-N 3.18Å; K368-T372 PolarHBondContact O-OG1 2.85Å; D369-T372 PolarHBondContact O-N 2.97Å; F370-T372 VanDerWaalsContact C-N 3.28Å; F370-T372 PolarHBondContact O-N 2.81Å; T372-S375 VanDerWaalsContact CA-OG 3.25Å; T372-S375 WeakPolarHBondContact CA-OG 3.49Å; T372-S375 PolarHBondContact O-OG 3.1Å; T372-G376 WeakPolarHBondContact O-CA 3.26Å; T372-G376 PolarHBondContact O-N 3.21Å
373	E	46.3	Very low	50.6	Low	98 Å²	98	42.5 Å²	42.5	46%	0.458	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-55.3	169.6	-176.9	-178.1	-178.2	0	0	108.9	D369 S375 G376 I377	D369-E373 WeakPolarHBondContact O-CA 3.21Å; D369-E373 WeakPolarHBondContact O-CB 2.9Å; D369-E373 PolarHBondContact O-N 3.39Å; E373-S375 VanDerWaalsContact C-N 3.34Å; E373-S375 PolarHBondContact O-N 2.87Å; E373-G376 PolarHBondContact O-N 3.2Å; E373-G376 VanDerWaalsContact O-N 3.14Å; E373-I377 HydrophobicContact CG-CD1 3.79Å; E373-I377 WeakPolarHBondContact O-CB 3.26Å; E373-I377 WeakPolarHBondContact O-CD1 3.39Å; E373-I377 WeakPolarHBondContact O-CG1 3.13Å; E373-I377 PolarHBondContact O-N 2.99Å
374	W	45.8	Very low	50	Low	58 Å²	58	47.3 Å²	47.3	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-39.7	175.7	-75.8	105.9	0	0	0	112.5	F284 Y320 F370 L378	F284-W374 HydrophobicContact CE1-CB 4.47Å; F284-W374 HydrophobicContact CZ-CB 4.48Å; Y320-W374 VanDerWaalsContact OH-CD1 3.25Å; Y320-W374 VanDerWaalsContact OH-CE2 3.23Å; Y320-W374 PolarHBondContact OH-NE1 3.26Å; F370-W374 WeakPolarHBondContact O-CB 3.26Å; F370-W374 PolarHBondContact O-N 2.87Å; W374-L378 HydrophobicContact CE3-CD1 4.18Å; W374-L378 WeakPolarHBondContact O-CB 3.4Å; W374-L378 WeakPolarHBondContact O-CD1 2.8Å; W374-L378 WeakPolarHBondContact O-CG 3.49Å; W374-L378 PolarHBondContact O-N 2.94Å
375	S	45.4	Very low	49.1	Very low	13 Å²	13	49.4 Å²	49.4	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-40.9	173.4	73	0	0	0	0	111.6	G371 T372 E373 I377 L378 C379	G371-S375 WeakPolarHBondContact O-CB 3.45Å; G371-S375 PolarHBondContact O-N 3.49Å; G371-S375 PolarHBondContact O-OG 3.33Å; G371-S375 VanDerWaalsContact O-OG 3.05Å; T372-S375 VanDerWaalsContact CA-OG 3.25Å; T372-S375 WeakPolarHBondContact CA-OG 3.49Å; T372-S375 PolarHBondContact O-OG 3.1Å; E373-S375 VanDerWaalsContact C-N 3.34Å; E373-S375 PolarHBondContact O-N 2.87Å; S375-I377 VanDerWaalsContact C-N 3.3Å; S375-I377 PolarHBondContact O-N 3.45Å; S375-L378 PolarHBondContact O-N 3.45Å; S375-C379 VanDerWaalsContact CA-SG 3.6Å; S375-C379 VanDerWaalsContact CB-SG 3.5Å; S375-C379 VanDerWaalsContact O-CA 3.23Å; S375-C379 WeakPolarHBondContact O-CA 3.42Å; S375-C379 WeakPolarHBondContact O-CB 3.37Å; S375-C379 PolarHBondContact O-N 2.78Å; S375-C379 PolarHBondContact O-SG 3.47Å
376	G	45.9	Very low	48.1	Very low	32 Å²	32	51.6 Å²	51.6	33%	0.33	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.5	0	0	0	0	0	111.9	T372 E373 S380	T372-G376 WeakPolarHBondContact O-CA 3.26Å; T372-G376 PolarHBondContact O-N 3.21Å; E373-G376 PolarHBondContact O-N 3.2Å; E373-G376 VanDerWaalsContact O-N 3.14Å; G376-S380 VanDerWaalsContact O-CB 3.25Å; G376-S380 WeakPolarHBondContact O-CB 3.2Å; G376-S380 PolarHBondContact O-N 2.99Å; G376-S380 PolarHBondContact O-OG 3.06Å; G376-S380 VanDerWaalsContact O-OG 3.04Å
377	I	45.3	Very low	46.8	Very low	19 Å²	19	54.4 Å²	54.4	10%	0.097	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-50.1	173.9	-71.8	170.8	0	0	0	110.7	L252 R256 E373 S375 S380	L252-I377 HydrophobicContact CD1-CG2 3.73Å; L252-I377 HydrophobicContact CD2-CB 3.8Å; L252-I377 HydrophobicContact CD2-CG1 4.31Å; L252-I377 HydrophobicContact CD2-CG2 3.23Å; L252-I377 WeakPolarHBondContact CD2-O 3.13Å; L252-I377 HydrophobicContact CG-CG2 4.07Å; R256-I377 PolarHBondContact NH1-O 3.09Å; R256-I377 VanDerWaalsContact NH1-O 3.1Å; E373-I377 HydrophobicContact CG-CD1 3.79Å; E373-I377 WeakPolarHBondContact O-CB 3.26Å; E373-I377 WeakPolarHBondContact O-CD1 3.39Å; E373-I377 WeakPolarHBondContact O-CG1 3.13Å; E373-I377 PolarHBondContact O-N 2.99Å; S375-I377 VanDerWaalsContact C-N 3.3Å; S375-I377 PolarHBondContact O-N 3.45Å; I377-S380 PolarHBondContact O-OG 3.27Å
378	L	47.2	Very low	45.7	Very low	10 Å²	10	65.5 Å²	65.5	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-86.7	-35.3	-172.1	-63.1	170	0	0	0	114	R256 L277 T280 F284 W374 S375	R256-L378 PolarHBondContact NH1-O 3.09Å; L277-L378 HydrophobicContact CD2-CD2 3.76Å; T280-L378 HydrophobicContact CG2-CD1 3.7Å; F284-L378 HydrophobicContact CD2-CD1 4.19Å; F284-L378 HydrophobicContact CE2-CD1 4.03Å; W374-L378 HydrophobicContact CE3-CD1 4.18Å; W374-L378 WeakPolarHBondContact O-CB 3.4Å; W374-L378 WeakPolarHBondContact O-CD1 2.8Å; W374-L378 WeakPolarHBondContact O-CG 3.49Å; W374-L378 PolarHBondContact O-N 2.94Å; S375-L378 PolarHBondContact O-N 3.45Å
379	C	51.7	Low	44.6	Very low	31 Å²	31	69.2 Å²	69.2	21%	0.209	39%	0.387	C	S	.	.	H	α-helix	trans	-88.8	-11	-176.4	-53.6	0	0	0	0	114.4	C281 S375 D381	C281-C379 WeakPolarHBondContact CA-SG 3.25Å; C281-C379 HydrophobicContact CB-CB 3.9Å; C281-C379 WeakPolarHBondContact CB-SG 3.18Å; C281-C379 VanDerWaalsContact SG-CA 3.59Å; C281-C379 WeakPolarHBondContact SG-CB 3.5Å; C281-C379 CovalentContact SG-SG 1.99Å; C281-C379 PolarHBondContact SG-SG 3.19Å; S375-C379 VanDerWaalsContact CA-SG 3.6Å; S375-C379 VanDerWaalsContact CB-SG 3.5Å; S375-C379 VanDerWaalsContact O-CA 3.23Å; S375-C379 WeakPolarHBondContact O-CA 3.42Å; S375-C379 WeakPolarHBondContact O-CB 3.37Å; S375-C379 PolarHBondContact O-N 2.78Å; S375-C379 PolarHBondContact O-SG 3.47Å; C379-D381 PolarHBondContact O-N 3.2Å; C379-D381 VanDerWaalsContact O-N 3.16Å
380	S	55.6	Low	43.4	Very low	30 Å²	30	75.8 Å²	75.8	21%	0.21	41%	0.406	C	S	.	.			trans	-60.3	123.5	171.4	50	0	0	0	0	108.3	C253 G376 I377 C382	C253-S380 PolarHBondContact SG-OG 3.19Å; G376-S380 VanDerWaalsContact O-CB 3.25Å; G376-S380 WeakPolarHBondContact O-CB 3.2Å; G376-S380 PolarHBondContact O-N 2.99Å; G376-S380 PolarHBondContact O-OG 3.06Å; G376-S380 VanDerWaalsContact O-OG 3.04Å; I377-S380 PolarHBondContact O-OG 3.27Å; S380-C382 PolarHBondContact O-N 2.94Å
381	D	53.1	Low	42.3	Very low	124 Å²	124	80 Å²	80	66%	0.663	43%	0.431	S	S	*	.			trans	-64.4	-12.8	177.4	-78.2	-28.1	0	0	0	111.3	R260 C379 S383	R260-D381 PolarHBondContact NH1-O 3.19Å; C379-D381 PolarHBondContact O-N 3.2Å; C379-D381 VanDerWaalsContact O-N 3.16Å; D381-S383 WeakPolarHBondContact CB-OG 3.46Å; D381-S383 PolarHBondContact O-N 3.38Å; D381-S383 PolarHBondContact O-OG 3.02Å; D381-S383 VanDerWaalsContact O-OG 3.06Å
382	C	58.4	Low	41.4	Very low	3 Å²	3	89 Å²	89	2%	0.02	47%	0.473	C	S	.	.			trans	48.7	7.2	-170.2	-58	0	0	0	0	114	C253 R257 S380 S384	C253-C382 WeakPolarHBondContact CA-SG 3.23Å; C253-C382 HydrophobicContact CB-CB 3.94Å; C253-C382 WeakPolarHBondContact CB-SG 3.48Å; C253-C382 VanDerWaalsContact SG-CA 3.56Å; C253-C382 WeakPolarHBondContact SG-CB 3.42Å; C253-C382 CovalentContact SG-SG 2.07Å; C253-C382 PolarHBondContact SG-SG 3.02Å; R257-C382 HydrophobicContact CG-CB 4.35Å; R257-C382 PolarHBondContact NE-O 3.16Å; R257-C382 PolarHBondContact NH2-O 3.38Å; S380-C382 PolarHBondContact O-N 2.94Å; C382-S384 VanDerWaalsContact C-N 3.32Å; C382-S384 PolarHBondContact O-N 3.01Å
383	S	51.9	Low	40.5	Very low	68 Å²	68	94.3 Å²	94.3	48%	0.476	50%	0.498	S	S	.	.			trans	-72.2	-20.3	-175.9	-55.4	0	0	0	0	113.6	D381 G385	D381-S383 WeakPolarHBondContact CB-OG 3.46Å; D381-S383 PolarHBondContact O-N 3.38Å; D381-S383 PolarHBondContact O-OG 3.02Å; D381-S383 VanDerWaalsContact O-OG 3.06Å; S383-G385 PolarHBondContact O-N 2.84Å
384	S	42.3	Very low	39.7	Very low	112 Å²	112	101.1 Å²	101.1	78%	0.783	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	77.3	173.2	54.1	0	0	0	0	109.8	R257 C382	R257-S384 PolarHBondContact NH2-O 3.41Å; C382-S384 VanDerWaalsContact C-N 3.32Å; C382-S384 PolarHBondContact O-N 3.01Å
385	G	35.1	Very low	39.4	Very low	47 Å²	47	103.3 Å²	103.3	49%	0.485	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	156.9	-3	178.5	0	0	0	0	0	116	S383 P387	S383-G385 PolarHBondContact O-N 2.84Å; G385-P387 VanDerWaalsContact O-CD 3.23Å; G385-P387 WeakPolarHBondContact O-CD 3.5Å
386	I	32	Very low	39.1	Very low	121 Å²	121	108 Å²	108	62%	0.621	58%	0.577	S	S	*	*			trans	-77.8	110.3	162.7	-55.7	175.8	0	0	0	105.3	R388	I386-R388 PolarHBondContact O-N 2.78Å
387	P	25.8	Very low	38.7	Very low	105 Å²	105	112.2 Å²	112.2	68%	0.682	59%	0.591	S	S	*	*			trans	-57	118.4	168	-11.5	27	0	0	0	105.2	G385 D389	G385-P387 VanDerWaalsContact O-CD 3.23Å; G385-P387 WeakPolarHBondContact O-CD 3.5Å; P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 2.75Å
388	R	27.6	Very low	38.3	Very low	240 Å²	240	117.7 Å²	117.7	91%	0.906	62%	0.62	S	S	*	*			trans	-58.3	107.7	165	-78.4	179.9	170.6	171.9	-3.4	105	I386 R390	I386-R388 PolarHBondContact O-N 2.78Å; R388-R390 PolarHBondContact O-N 2.9Å
389	D	27.8	Very low	37.8	Very low	147 Å²	147	124.4 Å²	124.4	79%	0.786	66%	0.655	S	S	*	*			trans	-54.1	95.7	170	-95.8	-35.5	0	0	0	107.9	P387 N391	P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 2.75Å; D389-N391 PolarHBondContact O-N 3.46Å
390	R	26.5	Very low	36.8	Very low	221 Å²	221	130.7 Å²	130.7	83%	0.834	69%	0.685	S	S	*	*			trans	-72.8	112	149.3	-79.4	-177.9	176.5	176.2	-1.2	104.1	R388	R388-R390 PolarHBondContact O-N 2.9Å
391	N	27.4	Very low	35.5	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	72%	0.719	S	S	*	*			trans	124.1	76.4	160.7	-60.4	-16.1	0	0	0	112.8	D389	D389-N391 PolarHBondContact O-N 3.46Å
392	H	28.3	Very low	34.2	Very low	190 Å²	190	138.9 Å²	138.9	88%	0.88	72%	0.723	S	S	*	*			trans	-155	67.6	141.8	-86.1	-51.1	0	0	0	109.4
393	L	31.5	Very low	32.1	Very low	173 Å²	173	150.3 Å²	150.3	91%	0.906	78%	0.782	S	S	*	*			trans	-135.3	88.4	153.9	-85.8	164.7	0	0	0	105.2
394	N	29.5	Very low	30.3	Very low	240 Å²	240	157.7 Å²	157.7	100%	1.283	81%	0.81	S	S	*	*			trans	-84.1	0	150.8	-88.9	-11.6	0	0	0	107.3

Retrieved 394 of 394 residues in 295.6 ms (Link to these results)

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