A0AA82N818_SCHMA Loading...

Amine GPCR, putative

AlphaFold DB (A0A3Q0KK97), UniProt , Accession A0AA82N818, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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	30.8	Very low	32	Very low	238 Å²	238	170.3 Å²	170.3	100%	1.172	86%	0.862	S	S	*	*				0	101.2	0	-156.2	179.7	-79.3	0	0	106.4
2	L	32.1	Very low	32.1	Very low	156 Å²	156	169.9 Å²	169.9	82%	0.817	85%	0.854	S	S	*	*			trans	46.3	105.6	178.4	-77.9	100.5	0	0	0	121.8
3	E	34.7	Very low	31.9	Very low	173 Å²	173	165 Å²	165	81%	0.808	84%	0.839	S	S	*	*			trans	39.9	120.1	133.7	-56.9	-153.3	157.9	0	0	121.2
4	M	37.4	Very low	31.7	Very low	183 Å²	183	163.5 Å²	163.5	90%	0.901	83%	0.834	S	S	*	*				-157.4	115.6	119.1	-96.2	-161.9	-41.4	0	0	109.8
5	N	35.1	Very low	31.7	Very low	146 Å²	146	164.1 Å²	164.1	78%	0.781	83%	0.831	S	S	*	*			trans	-77.8	166	177.1	-106.4	-33.3	0	0	0	112.8
6	L	31.4	Very low	31.7	Very low	153 Å²	153	159.8 Å²	159.8	80%	0.801	82%	0.821	S	S	*	*			trans	73.8	135.5	158.2	-100.7	67.7	0	0	0	117.6
7	S	28.8	Very low	31.5	Very low	96 Å²	96	159.4 Å²	159.4	67%	0.671	82%	0.82	S	S	*	*			cis	174.3	121.1	-14.7	-100.5	0	0	0	0	104.5
8	T	31.8	Very low	31.2	Very low	152 Å²	152	160.4 Å²	160.4	93%	0.933	82%	0.818	S	S	*	*			trans	-162	89.6	149.3	-12.2	0	0	0	0	110.1
9	R	28.3	Very low	31.3	Very low	240 Å²	240	162.9 Å²	162.9	91%	0.906	82%	0.823	S	S	*	*			trans	-121	136.1	148	-83.3	-169.4	178	-166.4	0.6	105.8
10	M	31.1	Very low	31.3	Very low	174 Å²	174	159.5 Å²	159.5	86%	0.857	82%	0.815	S	S	*	*				158.3	97	129.6	-79	-80.6	-84.5	0	0	108.7
11	I	30.1	Very low	31.3	Very low	162 Å²	162	159.5 Å²	159.5	83%	0.831	82%	0.815	S	S	*	*			trans	-81.3	119.6	157.4	-67.1	166.2	0	0	0	105.6
12	Q	33.2	Very low	31.6	Very low	166 Å²	166	156.7 Å²	156.7	78%	0.776	80%	0.799	S	S	*	*			trans	-167.2	110.5	146.4	-142.4	130.9	-15.6	0	0	112.7
13	T	29.7	Very low	31.6	Very low	106 Å²	106	156 Å²	156	65%	0.65	80%	0.796	S	S	*	*			trans	39.1	127.1	135.6	62	0	0	0	0	122.9
14	N	28.7	Very low	31.6	Very low	144 Å²	144	156.9 Å²	156.9	77%	0.77	80%	0.797	S	S	*	*				73.8	127	128.4	-71	-7.3	0	0	0	122.3
15	H	31.9	Very low	31.3	Very low	172 Å²	172	153.7 Å²	153.7	80%	0.796	79%	0.79	S	S	*	*			trans	79.6	118.3	148.3	-86.9	-94.8	0	0	0	120.4
16	S	31.4	Very low	31	Very low	96 Å²	96	153.8 Å²	153.8	67%	0.671	79%	0.789	S	S	*	*			trans	67.5	116.9	144.3	57.7	0	0	0	0	120.6
17	L	28.3	Very low	31	Very low	153 Å²	153	152 Å²	152	80%	0.801	79%	0.785	S	S	*	*			trans	83.4	139.6	133.4	-75.4	165.5	0	0	0	120
18	F	27.3	Very low	31	Very low	178 Å²	178	155.3 Å²	155.3	78%	0.781	79%	0.789	S	S	*	*			trans	75.4	114.7	163.5	-86.1	-85.5	0	0	0	118.4
19	F	31.9	Very low	31	Very low	207 Å²	207	156.1 Å²	156.1	91%	0.908	78%	0.781	S	S	*	*				-168.4	94.7	126.3	-102.5	-74.5	0	0	0	107.1
20	S	31.9	Very low	31.3	Very low	95 Å²	95	148.4 Å²	148.4	66%	0.664	76%	0.76	S	S	*	*				62.1	101.4	96.7	-153.9	0	0	0	0	113.5	H22	S20-H22 PolarHBondContact O-N 3.2Å
21	I	31	Very low	31.7	Very low	159 Å²	159	146.6 Å²	146.6	82%	0.815	76%	0.759	S	S	*	*			trans	-67.6	115.2	173.4	-63.7	165.3	0	0	0	107.8
22	H	37.4	Very low	32.2	Very low	180 Å²	180	145 Å²	145	83%	0.833	75%	0.748	S	S	*	*			trans	-126.3	114.5	163	-148	-69.4	0	0	0	110	S20 K24	S20-H22 PolarHBondContact O-N 3.2Å; H22-K24 PolarHBondContact O-N 2.92Å
23	N	33	Very low	33.3	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	73%	0.734	S	S	*	*			trans	-49	117.2	176.9	-66.9	-32.9	0	0	0	112.5
24	K	34.3	Very low	34.7	Very low	192 Å²	192	140.5 Å²	140.5	84%	0.835	73%	0.733	S	S	*	*			trans	-140.5	131.4	149.1	-90.9	-176.9	178.2	177.8	0	107.6	H22 L26	H22-K24 PolarHBondContact O-N 2.92Å; K24-L26 PolarHBondContact O-N 2.88Å
25	P	30.5	Very low	36.3	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	73%	0.734	S	S	*	*			trans	-69	127.5	-179.4	28.8	-31	0	0	0	109.3	T27	P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 2.97Å
26	L	30	Very low	37.9	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	71%	0.708	S	S	*	*			trans	-73	85.5	177.4	-145.2	85.2	0	0	0	108.8	K24	K24-L26 PolarHBondContact O-N 2.88Å
27	T	29.7	Very low	39.9	Very low	115 Å²	115	135 Å²	135	71%	0.706	69%	0.691	S	S	*	*			trans	-86.9	131.8	168.8	52.6	0	0	0	0	109.3	P25	P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 2.97Å
28	H	30	Very low	42.5	Very low	166 Å²	166	131.5 Å²	131.5	77%	0.769	67%	0.672	S	S	*	*			trans	74.2	79	173.3	-91.1	-92.1	0	0	0	117.4
29	F	31.6	Very low	45.2	Very low	170 Å²	170	126.5 Å²	126.5	75%	0.746	66%	0.657	S	S	*	*			trans	-114.8	105	146.3	-104.4	-91	0	0	0	109.1
30	T	34.5	Very low	47.5	Very low	78 Å²	78	116.6 Å²	116.6	48%	0.479	61%	0.614	S	S	.	*			trans	-70.8	127.9	-170.5	47.2	0	0	0	0	112.2	E32	T30-E32 HydrophobicContact CG2-CG 4.46Å; T30-E32 PolarHBondContact O-N 3.34Å
31	T	40.3	Very low	50.2	Low	135 Å²	135	113.6 Å²	113.6	83%	0.828	59%	0.59	S	S	*	*			trans	-68.4	20.5	164.1	43.6	0	0	0	0	113.8
32	E	40	Very low	53	Low	129 Å²	129	109.9 Å²	109.9	60%	0.603	57%	0.571	S	S	*	*			trans	-88.1	1.7	-168	-68.8	-158.7	168.7	0	0	119.2	T30 I36	T30-E32 HydrophobicContact CG2-CG 4.46Å; T30-E32 PolarHBondContact O-N 3.34Å; E32-I36 WeakPolarHBondContact O-CD1 3.47Å
33	P	56.8	Low	55.4	Low	74 Å²	74	103.2 Å²	103.2	48%	0.481	55%	0.547	S	S	.	.	H	α-helix	trans	-77.5	-35	179	26.7	-29.1	0	0	0	113.4	Y37	P33-Y37 HydrophobicContact CB-CE2 4.45Å; P33-Y37 WeakPolarHBondContact O-CD2 3.47Å; P33-Y37 WeakPolarHBondContact O-CE2 3.05Å
34	V	59.3	Low	58.1	Low	104 Å²	104	96.5 Å²	96.5	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-76	-43.1	-163.9	-177.6	0	0	0	0	113.7	I36 Y37 L38	V34-I36 VanDerWaalsContact C-N 3.26Å; V34-I36 PolarHBondContact O-N 3.08Å; V34-Y37 PolarHBondContact O-N 3.35Å; V34-L38 PolarHBondContact O-N 3.12Å
35	E	60.9	Low	60.9	Low	169 Å²	169	88.2 Å²	88.2	79%	0.79	48%	0.477	S	S	*	.	H	α-helix	trans	-65.9	-30	-175.7	-63.2	-154.2	160.7	0	0	112.9	P39	E35-P39 WeakPolarHBondContact O-CD 3.48Å
36	I	66.6	Low	64	Low	50 Å²	50	87.6 Å²	87.6	26%	0.256	47%	0.466	S	S	.	.	H	α-helix	trans	-71.4	-35.5	-178.7	-59.9	177.6	0	0	0	111.6	E32 V34 I520	E32-I36 WeakPolarHBondContact O-CD1 3.47Å; V34-I36 VanDerWaalsContact C-N 3.26Å; V34-I36 PolarHBondContact O-N 3.08Å; I36-I520 HydrophobicContact CG2-CD1 3.7Å
37	Y	72.4	Confident	67	Low	78 Å²	78	82.9 Å²	82.9	31%	0.306	44%	0.44	S	S	.	.	H	α-helix	trans	-92.6	-23.2	-175.6	-62.1	-65.6	0	0	0	114.1	P33 V34 S40 I41 L511 I520	P33-Y37 HydrophobicContact CB-CE2 4.45Å; P33-Y37 WeakPolarHBondContact O-CD2 3.47Å; P33-Y37 WeakPolarHBondContact O-CE2 3.05Å; V34-Y37 PolarHBondContact O-N 3.35Å; Y37-S40 WeakPolarHBondContact O-CA 3.29Å; Y37-S40 WeakPolarHBondContact O-CB 3.37Å; Y37-S40 PolarHBondContact O-N 3.47Å; Y37-I41 PolarHBondContact O-N 2.98Å; Y37-I41 VanDerWaalsContact O-N 3.07Å; Y37-L511 HydrophobicContact CE1-CD2 4.32Å; Y37-L511 WeakPolarHBondContact OH-CD2 3.48Å; Y37-I520 HydrophobicContact CD1-CG2 4.16Å; Y37-I520 HydrophobicContact CE1-CG2 4.25Å
38	L	82.7	Confident	70	Confident	79 Å²	79	77.4 Å²	77.4	41%	0.414	41%	0.406	S	S	.	.	H	α-helix	trans	-57.7	-45.3	-172.6	-174	63.7	0	0	0	113.7	V34 S40 I41 I42	V34-L38 PolarHBondContact O-N 3.12Å; L38-S40 PolarHBondContact O-N 2.96Å; L38-S40 VanDerWaalsContact O-N 3.08Å; L38-I41 PolarHBondContact O-N 3.5Å; L38-I42 HydrophobicContact CD1-CD1 4.3Å; L38-I42 HydrophobicContact CD1-CG1 4.48Å; L38-I42 HydrophobicContact CG-CD1 4.01Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.86Å
39	P	83.6	Confident	73.2	Confident	72 Å²	72	73.2 Å²	73.2	47%	0.468	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-23.1	175.6	-19.1	31.2	0	0	0	112.6	E35 A43	E35-P39 WeakPolarHBondContact O-CD 3.48Å; P39-A43 VanDerWaalsContact O-CB 3.24Å; P39-A43 WeakPolarHBondContact O-CB 3.36Å; P39-A43 PolarHBondContact O-N 3.04Å
40	S	82.2	Confident	76.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-77.6	-40.8	178	-151.5	0	0	0	0	115.5	Y37 L38 I42 S44 Q521 R524	Y37-S40 WeakPolarHBondContact O-CA 3.29Å; Y37-S40 WeakPolarHBondContact O-CB 3.37Å; Y37-S40 PolarHBondContact O-N 3.47Å; L38-S40 PolarHBondContact O-N 2.96Å; L38-S40 VanDerWaalsContact O-N 3.08Å; S40-I42 VanDerWaalsContact C-N 3.32Å; S40-S44 VanDerWaalsContact O-CB 3.26Å; S40-S44 WeakPolarHBondContact O-CB 3.38Å; S40-S44 PolarHBondContact O-N 2.96Å; S40-S44 PolarHBondContact O-OG 3.25Å; S40-Q521 VanDerWaalsContact CA-CD 3.45Å; S40-Q521 VanDerWaalsContact CB-CD 3.46Å; S40-Q521 PolarHBondContact OG-OE1 2.91Å; S40-R524 VanDerWaalsContact OG-CD 3.31Å; S40-R524 WeakPolarHBondContact OG-CD 3.46Å; S40-R524 PolarHBondContact OG-NE 3.3Å
41	I	86.9	Confident	79.2	Confident	32 Å²	32	65.1 Å²	65.1	16%	0.164	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-48	172.8	-64.6	168.8	0	0	0	108.2	Y37 L38 T45 I103 W104	Y37-I41 PolarHBondContact O-N 2.98Å; Y37-I41 VanDerWaalsContact O-N 3.07Å; L38-I41 PolarHBondContact O-N 3.5Å; I41-T45 VanDerWaalsContact O-CB 3.26Å; I41-T45 WeakPolarHBondContact O-CB 3.42Å; I41-T45 PolarHBondContact O-N 3.22Å; I41-T45 PolarHBondContact O-OG1 3.39Å; I41-I103 HydrophobicContact CB-CG2 4.4Å; I41-I103 HydrophobicContact CG2-CG2 3.74Å; I41-W104 HydrophobicContact CG2-CD2 4.09Å; I41-W104 HydrophobicContact CG2-CE3 4.35Å; I41-W104 HydrophobicContact CG2-CH2 4.35Å; I41-W104 HydrophobicContact CG2-CZ2 4.06Å; I41-W104 HydrophobicContact CG2-CZ3 4.47Å
42	I	90.2	Very high	81.9	Confident	80 Å²	80	59.2 Å²	59.2	41%	0.41	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-51.4	179.5	-63.7	168.6	0	0	0	111.4	L38 S40 S44 T45 I46	L38-I42 HydrophobicContact CD1-CD1 4.3Å; L38-I42 HydrophobicContact CD1-CG1 4.48Å; L38-I42 HydrophobicContact CG-CD1 4.01Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.86Å; S40-I42 VanDerWaalsContact C-N 3.32Å; I42-S44 PolarHBondContact O-N 3.39Å; I42-T45 WeakPolarHBondContact O-CB 3.45Å; I42-T45 PolarHBondContact O-N 3.14Å; I42-I46 HydrophobicContact CG2-CD1 3.86Å; I42-I46 WeakPolarHBondContact O-CG1 3.31Å; I42-I46 PolarHBondContact O-N 3.13Å
43	A	89	Confident	84.6	Confident	40 Å²	40	57.5 Å²	57.5	33%	0.331	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-44.7	-179	0	0	0	0	0	112.5	P39 T45 I46 F47	P39-A43 VanDerWaalsContact O-CB 3.24Å; P39-A43 WeakPolarHBondContact O-CB 3.36Å; P39-A43 PolarHBondContact O-N 3.04Å; A43-T45 VanDerWaalsContact C-N 3.31Å; A43-T45 PolarHBondContact O-N 3.17Å; A43-I46 PolarHBondContact O-N 3.08Å; A43-F47 VanDerWaalsContact O-CB 3.31Å; A43-F47 WeakPolarHBondContact O-CB 3.02Å; A43-F47 PolarHBondContact O-N 3.39Å
44	S	89.3	Confident	86.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-34.7	177.7	-54.7	0	0	0	0	111.9	S40 I42 L48 R524	S40-S44 VanDerWaalsContact O-CB 3.26Å; S40-S44 WeakPolarHBondContact O-CB 3.38Å; S40-S44 PolarHBondContact O-N 2.96Å; S40-S44 PolarHBondContact O-OG 3.25Å; I42-S44 PolarHBondContact O-N 3.39Å; S44-L48 WeakPolarHBondContact O-CB 3.48Å; S44-L48 VanDerWaalsContact O-CG 3.3Å; S44-L48 WeakPolarHBondContact O-CG 3.1Å; S44-L48 PolarHBondContact O-N 3.49Å; S44-R524 WeakPolarHBondContact OG-CD 3.37Å; S44-R524 WeakPolarHBondContact OG-CG 3.26Å
45	T	93	Very high	88.3	Confident	18 Å²	18	52.8 Å²	52.8	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-51.8	176.5	-62.4	0	0	0	0	111.2	I41 I42 A43 F47 L48 I49 L99 I103 W104	I41-T45 VanDerWaalsContact O-CB 3.26Å; I41-T45 WeakPolarHBondContact O-CB 3.42Å; I41-T45 PolarHBondContact O-N 3.22Å; I41-T45 PolarHBondContact O-OG1 3.39Å; I42-T45 WeakPolarHBondContact O-CB 3.45Å; I42-T45 PolarHBondContact O-N 3.14Å; A43-T45 VanDerWaalsContact C-N 3.31Å; A43-T45 PolarHBondContact O-N 3.17Å; T45-F47 VanDerWaalsContact C-N 3.3Å; T45-F47 PolarHBondContact O-N 3.29Å; T45-L48 PolarHBondContact O-N 3.15Å; T45-I49 HydrophobicContact CG2-CD1 3.67Å; T45-I49 HydrophobicContact CG2-CG1 4.4Å; T45-I49 WeakPolarHBondContact O-CB 3.44Å; T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.19Å; T45-I49 PolarHBondContact O-N 2.85Å; T45-L99 HydrophobicContact CG2-CD2 4.11Å; T45-I103 WeakPolarHBondContact OG1-CG2 3.12Å; T45-W104 PolarHBondContact OG1-NE1 3.45Å; T45-W104 VanDerWaalsContact OG1-NE1 3.08Å
46	I	94.1	Very high	90.1	Very high	104 Å²	104	47.3 Å²	47.3	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-58.4	-46.1	178.4	-65.7	169	0	0	0	110.2	I42 A43 I49 T50	I42-I46 HydrophobicContact CG2-CD1 3.86Å; I42-I46 WeakPolarHBondContact O-CG1 3.31Å; I42-I46 PolarHBondContact O-N 3.13Å; A43-I46 PolarHBondContact O-N 3.08Å; I46-I49 PolarHBondContact O-N 3.01Å; I46-T50 WeakPolarHBondContact O-CB 3.21Å; I46-T50 PolarHBondContact O-N 3.02Å; I46-T50 PolarHBondContact O-OG1 2.92Å
47	F	93.2	Very high	91.5	Very high	48 Å²	48	49.8 Å²	49.8	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-51.3	178.5	174.5	-106.4	0	0	0	112.6	A43 T45 T50 I51 V525 I532	A43-F47 VanDerWaalsContact O-CB 3.31Å; A43-F47 WeakPolarHBondContact O-CB 3.02Å; A43-F47 PolarHBondContact O-N 3.39Å; T45-F47 VanDerWaalsContact C-N 3.3Å; T45-F47 PolarHBondContact O-N 3.29Å; F47-T50 PolarHBondContact O-N 3.42Å; F47-I51 HydrophobicContact CD1-CD1 3.81Å; F47-I51 HydrophobicContact CD2-CD1 4.09Å; F47-I51 HydrophobicContact CE1-CD1 3.42Å; F47-I51 VanDerWaalsContact CE1-CD1 3.42Å; F47-I51 HydrophobicContact CE2-CD1 3.73Å; F47-I51 HydrophobicContact CG-CD1 4.15Å; F47-I51 HydrophobicContact CZ-CD1 3.41Å; F47-I51 VanDerWaalsContact CZ-CD1 3.41Å; F47-I51 WeakPolarHBondContact O-CG1 3.43Å; F47-I51 PolarHBondContact O-N 3.36Å; F47-V525 HydrophobicContact CE1-CG1 4.5Å; F47-V525 HydrophobicContact CZ-CG1 4.4Å; F47-I532 HydrophobicContact CE2-CD1 3.81Å; F47-I532 HydrophobicContact CE2-CG1 3.96Å; F47-I532 HydrophobicContact CZ-CD1 3.6Å; F47-I532 HydrophobicContact CZ-CG1 3.53Å
48	L	94.6	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-39.1	-178.8	-73.5	177.3	0	0	0	112.8	S44 T45 I51 A52 I95 T98 L99 I103 F531	S44-L48 WeakPolarHBondContact O-CB 3.48Å; S44-L48 VanDerWaalsContact O-CG 3.3Å; S44-L48 WeakPolarHBondContact O-CG 3.1Å; S44-L48 PolarHBondContact O-N 3.49Å; T45-L48 PolarHBondContact O-N 3.15Å; L48-I51 PolarHBondContact O-N 3.26Å; L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 2.99Å; L48-I95 HydrophobicContact CB-CG2 3.93Å; L48-I95 HydrophobicContact CD2-CG2 4.44Å; L48-T98 HydrophobicContact CD1-CG2 4.41Å; L48-L99 HydrophobicContact CB-CD1 4.34Å; L48-L99 HydrophobicContact CB-CD2 3.91Å; L48-L99 HydrophobicContact CB-CG 4.2Å; L48-L99 HydrophobicContact CD1-CD2 3.79Å; L48-L99 HydrophobicContact CD1-CG 4.14Å; L48-L99 HydrophobicContact CG-CD2 4.48Å; L48-I103 HydrophobicContact CD1-CG1 4.17Å; L48-F531 HydrophobicContact CD2-CB 4.07Å; L48-F531 HydrophobicContact CD2-CD2 3.43Å; L48-F531 VanDerWaalsContact CD2-CD2 3.43Å; L48-F531 HydrophobicContact CD2-CE2 4.03Å; L48-F531 HydrophobicContact CD2-CG 3.96Å
49	I	96.4	Very high	93.3	Very high	77 Å²	77	42.7 Å²	42.7	40%	0.395	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-43.7	174.9	-69.6	172.8	0	0	0	110.7	T45 I46 I51 A52 I53 L99	T45-I49 HydrophobicContact CG2-CD1 3.67Å; T45-I49 HydrophobicContact CG2-CG1 4.4Å; T45-I49 WeakPolarHBondContact O-CB 3.44Å; T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.19Å; T45-I49 PolarHBondContact O-N 2.85Å; I46-I49 PolarHBondContact O-N 3.01Å; I49-I51 VanDerWaalsContact C-N 3.35Å; I49-I51 PolarHBondContact O-N 2.77Å; I49-A52 PolarHBondContact O-N 3.31Å; I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.41Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.36Å; I49-L99 HydrophobicContact CG1-CD1 3.86Å
50	T	95.9	Very high	94	Very high	68 Å²	68	41.8 Å²	41.8	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-45.3	177.8	-55.9	0	0	0	0	111.2	I46 F47 I53 I54	I46-T50 WeakPolarHBondContact O-CB 3.21Å; I46-T50 PolarHBondContact O-N 3.02Å; I46-T50 PolarHBondContact O-OG1 2.92Å; F47-T50 PolarHBondContact O-N 3.42Å; T50-I53 PolarHBondContact O-N 3.34Å; T50-I54 HydrophobicContact CG2-CD1 3.85Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.23Å; T50-I54 PolarHBondContact O-N 3.33Å; T50-I54 VanDerWaalsContact O-N 3.1Å
51	I	95.8	Very high	94.6	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-46.5	175.9	-69.7	166.9	0	0	0	111.1	F47 L48 I49 I53 I54 G55 I95 F531 I532 A535	F47-I51 HydrophobicContact CD1-CD1 3.81Å; F47-I51 HydrophobicContact CD2-CD1 4.09Å; F47-I51 HydrophobicContact CE1-CD1 3.42Å; F47-I51 VanDerWaalsContact CE1-CD1 3.42Å; F47-I51 HydrophobicContact CE2-CD1 3.73Å; F47-I51 HydrophobicContact CG-CD1 4.15Å; F47-I51 HydrophobicContact CZ-CD1 3.41Å; F47-I51 VanDerWaalsContact CZ-CD1 3.41Å; F47-I51 WeakPolarHBondContact O-CG1 3.43Å; F47-I51 PolarHBondContact O-N 3.36Å; L48-I51 PolarHBondContact O-N 3.26Å; I49-I51 VanDerWaalsContact C-N 3.35Å; I49-I51 PolarHBondContact O-N 2.77Å; I51-I53 PolarHBondContact O-N 3.27Å; I51-I54 PolarHBondContact O-N 3.01Å; I51-G55 PolarHBondContact O-N 3.5Å; I51-I95 HydrophobicContact CG2-CD1 3.91Å; I51-F531 HydrophobicContact CD1-CB 4.31Å; I51-F531 HydrophobicContact CG2-CB 4.21Å; I51-F531 VanDerWaalsContact CG2-O 3.23Å; I51-F531 WeakPolarHBondContact CG2-O 3.38Å; I51-I532 HydrophobicContact CD1-CB 4.48Å; I51-I532 HydrophobicContact CD1-CG1 3.61Å; I51-I532 HydrophobicContact CG1-CG1 4.33Å; I51-A535 HydrophobicContact CG2-CB 3.99Å
52	A	96.8	Very high	95	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-45.7	-179.6	0	0	0	0	0	111.6	L48 I49 G55 I56 I95	L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 2.99Å; I49-A52 PolarHBondContact O-N 3.31Å; A52-G55 PolarHBondContact O-N 2.88Å; A52-I56 WeakPolarHBondContact O-CB 3.49Å; A52-I56 WeakPolarHBondContact O-CD1 3.19Å; A52-I56 WeakPolarHBondContact O-CG1 3.38Å; A52-I56 PolarHBondContact O-N 2.89Å; A52-I95 HydrophobicContact CB-CB 4.49Å; A52-I95 HydrophobicContact CB-CD1 4.18Å; A52-I95 HydrophobicContact CB-CG2 4.08Å
53	I	97.2	Very high	95.3	Very high	93 Å²	93	39.1 Å²	39.1	48%	0.477	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-50.2	179.3	-66.7	168	0	0	0	110.9	I49 T50 I51 G55 I56 I57	I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.41Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.36Å; T50-I53 PolarHBondContact O-N 3.34Å; I51-I53 PolarHBondContact O-N 3.27Å; I53-G55 VanDerWaalsContact C-N 3.33Å; I53-G55 PolarHBondContact O-N 2.92Å; I53-I56 PolarHBondContact O-N 3.32Å; I53-I57 HydrophobicContact CG2-CD1 3.84Å; I53-I57 VanDerWaalsContact O-CG1 3.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.01Å; I53-I57 VanDerWaalsContact O-N 3.11Å
54	I	96.7	Very high	95.6	Very high	80 Å²	80	42.4 Å²	42.4	41%	0.41	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-44.6	179.8	-65	170.1	0	0	0	110.3	T50 I51 G58 A535	T50-I54 HydrophobicContact CG2-CD1 3.85Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.23Å; T50-I54 PolarHBondContact O-N 3.33Å; T50-I54 VanDerWaalsContact O-N 3.1Å; I51-I54 PolarHBondContact O-N 3.01Å; I54-G58 PolarHBondContact O-N 2.9Å; I54-A535 HydrophobicContact CB-CB 4.15Å; I54-A535 HydrophobicContact CG2-CB 3.91Å
55	G	97.2	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-43.9	179.3	0	0	0	0	0	113.2	I51 A52 I53 N59	I51-G55 PolarHBondContact O-N 3.5Å; A52-G55 PolarHBondContact O-N 2.88Å; I53-G55 VanDerWaalsContact C-N 3.33Å; I53-G55 PolarHBondContact O-N 2.92Å; G55-N59 VanDerWaalsContact O-CB 3.26Å; G55-N59 WeakPolarHBondContact O-CB 3.29Å; G55-N59 PolarHBondContact O-N 2.92Å; G55-N59 PolarHBondContact O-ND2 3.18Å
56	I	98	Very high	95.9	Very high	53 Å²	53	41.9 Å²	41.9	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-50	177.7	-70.7	161.4	0	0	0	110.4	A52 I53 S60 L88 C91 L92	A52-I56 WeakPolarHBondContact O-CB 3.49Å; A52-I56 WeakPolarHBondContact O-CD1 3.19Å; A52-I56 WeakPolarHBondContact O-CG1 3.38Å; A52-I56 PolarHBondContact O-N 2.89Å; I53-I56 PolarHBondContact O-N 3.32Å; I56-S60 WeakPolarHBondContact O-CB 3.47Å; I56-S60 PolarHBondContact O-N 3.33Å; I56-S60 VanDerWaalsContact O-N 3.11Å; I56-S60 PolarHBondContact O-OG 2.95Å; I56-L88 HydrophobicContact CB-CD1 4.35Å; I56-L88 HydrophobicContact CG1-CD1 4.27Å; I56-L88 HydrophobicContact CG2-CD1 4.31Å; I56-C91 HydrophobicContact CD1-CB 4.48Å; I56-C91 HydrophobicContact CG1-CB 3.76Å; I56-L92 HydrophobicContact CD1-CD2 3.67Å; I56-L92 HydrophobicContact CD1-CG 4.45Å; I56-L92 HydrophobicContact CG1-CD2 3.81Å; I56-L92 HydrophobicContact CG1-CG 4.17Å; I56-L92 HydrophobicContact CG2-CD2 4.45Å
57	I	96.6	Very high	95.9	Very high	102 Å²	102	44 Å²	44	52%	0.523	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-51.5	-179.2	-64.4	169.7	0	0	0	110	I53 L61	I53-I57 HydrophobicContact CG2-CD1 3.84Å; I53-I57 VanDerWaalsContact O-CG1 3.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.01Å; I53-I57 VanDerWaalsContact O-N 3.11Å; I57-L61 HydrophobicContact CG2-CD1 4.29Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 3.21Å; I57-L61 VanDerWaalsContact O-N 3.15Å
58	G	96.2	Very high	95.8	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-47.1	-174.3	0	0	0	0	0	113.1	I54 S60 L61 V62 P538	I54-G58 PolarHBondContact O-N 2.9Å; G58-S60 PolarHBondContact O-N 2.99Å; G58-L61 WeakPolarHBondContact O-CB 3.47Å; G58-L61 PolarHBondContact O-N 3.5Å; G58-V62 WeakPolarHBondContact O-CG2 3.34Å; G58-V62 PolarHBondContact O-N 3.04Å; G58-P538 VanDerWaalsContact CA-CG 3.49Å
59	N	97	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71	-31.8	-179.5	-68.1	-58.8	0	0	0	112.3	G55 L61 V62 I63 A84 D87 L88 S534	G55-N59 VanDerWaalsContact O-CB 3.26Å; G55-N59 WeakPolarHBondContact O-CB 3.29Å; G55-N59 PolarHBondContact O-N 2.92Å; G55-N59 PolarHBondContact O-ND2 3.18Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 2.98Å; N59-V62 PolarHBondContact O-N 3.3Å; N59-I63 WeakPolarHBondContact O-CB 3.48Å; N59-I63 VanDerWaalsContact O-CG1 3.3Å; N59-I63 WeakPolarHBondContact O-CG1 3.3Å; N59-I63 PolarHBondContact O-N 3.29Å; N59-A84 HydrophobicContact CB-CB 4.35Å; N59-D87 WeakPolarHBondContact ND2-CB 3.47Å; N59-L88 HydrophobicContact CB-CB 4.25Å; N59-S534 PolarHBondContact ND2-O 3.4Å
60	S	96.8	Very high	95.2	Very high	52 Å²	52	47.5 Å²	47.5	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-40.8	170.7	-63.6	0	0	0	0	111.8	I56 G58 I63 W64	I56-S60 WeakPolarHBondContact O-CB 3.47Å; I56-S60 PolarHBondContact O-N 3.33Å; I56-S60 VanDerWaalsContact O-N 3.11Å; I56-S60 PolarHBondContact O-OG 2.95Å; G58-S60 PolarHBondContact O-N 2.99Å; S60-I63 PolarHBondContact O-N 3.5Å; S60-W64 WeakPolarHBondContact O-CB 3.34Å; S60-W64 PolarHBondContact O-N 2.87Å
61	L	95.5	Very high	95	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-40	174.8	-70.6	172.2	0	0	0	112.3	I57 G58 N59 W64 A65 F548 F555	I57-L61 HydrophobicContact CG2-CD1 4.29Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 3.21Å; I57-L61 VanDerWaalsContact O-N 3.15Å; G58-L61 WeakPolarHBondContact O-CB 3.47Å; G58-L61 PolarHBondContact O-N 3.5Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 2.98Å; L61-W64 PolarHBondContact O-N 3.38Å; L61-A65 VanDerWaalsContact O-CB 3.28Å; L61-A65 WeakPolarHBondContact O-CB 3.34Å; L61-A65 PolarHBondContact O-N 3.38Å; L61-F548 HydrophobicContact CB-CZ 4.4Å; L61-F555 HydrophobicContact CD2-CD1 4.08Å; L61-F555 HydrophobicContact CD2-CE1 3.82Å; L61-F555 HydrophobicContact CD2-CZ 4.1Å
62	V	96.5	Very high	94.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-48.7	174.6	175.8	0	0	0	0	110.4	G58 N59 W64 A65 F66 I80 A84 P538 Y541 F548	G58-V62 WeakPolarHBondContact O-CG2 3.34Å; G58-V62 PolarHBondContact O-N 3.04Å; N59-V62 PolarHBondContact O-N 3.3Å; V62-W64 VanDerWaalsContact C-N 3.34Å; V62-W64 PolarHBondContact O-N 3.5Å; V62-A65 PolarHBondContact O-N 3.41Å; V62-F66 HydrophobicContact CG1-CD2 3.88Å; V62-F66 HydrophobicContact CG1-CE2 4.29Å; V62-F66 WeakPolarHBondContact O-CD2 3.46Å; V62-F66 PolarHBondContact O-N 3.29Å; V62-I80 HydrophobicContact CG1-CG2 3.64Å; V62-A84 HydrophobicContact CB-CB 3.95Å; V62-A84 HydrophobicContact CG1-CB 3.62Å; V62-P538 HydrophobicContact CG2-CB 4.17Å; V62-P538 HydrophobicContact CG2-CG 4.15Å; V62-Y541 HydrophobicContact CG1-CD2 4.32Å; V62-Y541 HydrophobicContact CG1-CE2 4.25Å; V62-Y541 HydrophobicContact CG2-CD2 3.8Å; V62-Y541 HydrophobicContact CG2-CE2 4.35Å; V62-F548 HydrophobicContact CB-CE2 4.26Å; V62-F548 HydrophobicContact CG2-CE1 4.39Å; V62-F548 HydrophobicContact CG2-CE2 3.72Å; V62-F548 HydrophobicContact CG2-CZ 3.61Å
63	I	96.4	Very high	94.1	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-55.3	-51.1	175.7	-71.8	166.1	0	0	0	110.3	N59 S60 A65 F66 R67 L81 A84 L88	N59-I63 WeakPolarHBondContact O-CB 3.48Å; N59-I63 VanDerWaalsContact O-CG1 3.3Å; N59-I63 WeakPolarHBondContact O-CG1 3.3Å; N59-I63 PolarHBondContact O-N 3.29Å; S60-I63 PolarHBondContact O-N 3.5Å; I63-A65 PolarHBondContact O-N 3.25Å; I63-F66 PolarHBondContact O-N 3.11Å; I63-R67 HydrophobicContact CG2-CG 4.47Å; I63-R67 WeakPolarHBondContact O-CG 3.24Å; I63-R67 PolarHBondContact O-N 3.3Å; I63-L81 HydrophobicContact CB-CD1 3.98Å; I63-L81 HydrophobicContact CG1-CD1 3.88Å; I63-L81 HydrophobicContact CG2-CD1 3.9Å; I63-A84 HydrophobicContact CD1-CB 4.48Å; I63-A84 HydrophobicContact CG1-CB 3.85Å; I63-L88 HydrophobicContact CD1-CB 4.46Å; I63-L88 HydrophobicContact CD1-CD2 3.71Å
64	W	94.9	Very high	93.7	Very high	109 Å²	109	58.4 Å²	58.4	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-58.1	-45.7	178.1	171.5	78.5	0	0	0	112.7	S60 L61 V62 C551 F555	S60-W64 WeakPolarHBondContact O-CB 3.34Å; S60-W64 PolarHBondContact O-N 2.87Å; L61-W64 PolarHBondContact O-N 3.38Å; V62-W64 VanDerWaalsContact C-N 3.34Å; V62-W64 PolarHBondContact O-N 3.5Å; W64-C551 HydrophobicContact CH2-CB 4.49Å; W64-C551 HydrophobicContact CZ3-CB 4Å; W64-F555 HydrophobicContact CE3-CD2 4.44Å; W64-F555 HydrophobicContact CH2-CB 3.56Å; W64-F555 AromaticContact CH2-CD2 3.86Å; W64-F555 HydrophobicContact CH2-CD2 3.86Å; W64-F555 HydrophobicContact CH2-CG 4.11Å; W64-F555 HydrophobicContact CZ2-CB 4.46Å; W64-F555 AromaticContact CZ2-CD2 4Å; W64-F555 HydrophobicContact CZ2-CD2 4Å; W64-F555 HydrophobicContact CZ3-CB 3.68Å; W64-F555 HydrophobicContact CZ3-CD2 4.08Å; W64-F555 HydrophobicContact CZ3-CG 4.12Å
65	A	94.3	Very high	93.3	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-37.8	-176.2	0	0	0	0	0	113.2	L61 V62 I63 H547 F548 C551	L61-A65 VanDerWaalsContact O-CB 3.28Å; L61-A65 WeakPolarHBondContact O-CB 3.34Å; L61-A65 PolarHBondContact O-N 3.38Å; V62-A65 PolarHBondContact O-N 3.41Å; I63-A65 PolarHBondContact O-N 3.25Å; A65-H547 PolarHBondContact O-CE1 3.05Å; A65-F548 HydrophobicContact CB-CD2 3.59Å; A65-F548 HydrophobicContact CB-CE2 3.84Å; A65-C551 HydrophobicContact CB-CB 3.8Å
66	F	94.5	Very high	92.8	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-93	-13	-175.2	-75.8	-88.3	0	0	0	114.3	V62 I63 K68 Q69 V70 I80 F548	V62-F66 HydrophobicContact CG1-CD2 3.88Å; V62-F66 HydrophobicContact CG1-CE2 4.29Å; V62-F66 WeakPolarHBondContact O-CD2 3.46Å; V62-F66 PolarHBondContact O-N 3.29Å; I63-F66 PolarHBondContact O-N 3.11Å; F66-K68 PolarHBondContact O-N 3.18Å; F66-K68 VanDerWaalsContact O-N 3.12Å; F66-Q69 HydrophobicContact CD1-CG 4.45Å; F66-Q69 VanDerWaalsContact CD1-OE1 3.3Å; F66-Q69 WeakPolarHBondContact O-CB 3.33Å; F66-Q69 PolarHBondContact O-N 3.5Å; F66-V70 PolarHBondContact O-N 3.32Å; F66-V70 VanDerWaalsContact O-N 3.1Å; F66-I80 HydrophobicContact CD1-CB 4.34Å; F66-I80 HydrophobicContact CD1-CD1 4.16Å; F66-I80 HydrophobicContact CD1-CG2 4.19Å; F66-I80 HydrophobicContact CD2-CG2 3.71Å; F66-I80 HydrophobicContact CE1-CD1 3.57Å; F66-I80 HydrophobicContact CE1-CG2 4.26Å; F66-I80 HydrophobicContact CE2-CG2 3.79Å; F66-I80 HydrophobicContact CG-CB 4.43Å; F66-I80 HydrophobicContact CG-CG2 3.92Å; F66-I80 HydrophobicContact CZ-CD1 3.84Å; F66-I80 HydrophobicContact CZ-CG2 4.07Å; F66-F548 HydrophobicContact CD2-CD2 4.4Å; F66-F548 HydrophobicContact CE2-CB 4.06Å; F66-F548 AromaticContact CE2-CD2 3.8Å; F66-F548 HydrophobicContact CE2-CD2 3.8Å; F66-F548 HydrophobicContact CE2-CG 4.23Å; F66-F548 HydrophobicContact CZ-CB 4.27Å
67	R	93.9	Very high	92.5	Very high	148 Å²	148	53.9 Å²	53.9	56%	0.558	26%	0.263	S	S	*	.	H	α-helix	trans	-47.1	-42.9	173.7	-91.5	169.5	-171.3	-167.7	4.5	113.4	I63 V70 K71	I63-R67 HydrophobicContact CG2-CG 4.47Å; I63-R67 WeakPolarHBondContact O-CG 3.24Å; I63-R67 PolarHBondContact O-N 3.3Å; R67-V70 PolarHBondContact O-N 3.48Å; R67-K71 WeakPolarHBondContact O-CG 3.28Å; R67-K71 PolarHBondContact O-N 3.42Å
68	K	90.1	Very high	92.3	Very high	143 Å²	143	50.3 Å²	50.3	62%	0.622	25%	0.245	S	C	*	.	H	α-helix	trans	-65.9	-41.2	179.5	-172.7	175.9	179.4	177.8	0	112.2	F66 V70 K71 Q72	F66-K68 PolarHBondContact O-N 3.18Å; F66-K68 VanDerWaalsContact O-N 3.12Å; K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 3.45Å; K68-K71 PolarHBondContact O-N 3.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.14Å; K68-Q72 PolarHBondContact O-N 2.92Å; K68-Q72 VanDerWaalsContact O-N 3.1Å
69	Q	89	Confident	92.1	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-39.1	177.8	-67.7	-166.7	-1.5	0	0	111.7	F66 Q72 G73 I74 H547	F66-Q69 HydrophobicContact CD1-CG 4.45Å; F66-Q69 VanDerWaalsContact CD1-OE1 3.3Å; F66-Q69 WeakPolarHBondContact O-CB 3.33Å; F66-Q69 PolarHBondContact O-N 3.5Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-Q72 VanDerWaalsContact O-N 3.15Å; Q69-G73 PolarHBondContact O-N 3Å; Q69-I74 HydrophobicContact CB-CB 4.3Å; Q69-I74 HydrophobicContact CB-CD1 4.08Å; Q69-I74 HydrophobicContact CG-CD1 4.18Å; Q69-I74 WeakPolarHBondContact O-CB 3.44Å; Q69-I74 PolarHBondContact O-N 2.95Å; Q69-I74 VanDerWaalsContact O-N 3.14Å; Q69-H547 PolarHBondContact NE2-CD2 3.06Å; Q69-H547 PolarHBondContact NE2-CE1 2.86Å; Q69-H547 PolarHBondContact NE2-ND1 3.29Å; Q69-H547 PolarHBondContact NE2-NE2 2.96Å; Q69-H547 VanDerWaalsContact NE2-NE2 3.18Å
70	V	90.2	Very high	92	Very high	28 Å²	28	50.1 Å²	50.1	17%	0.17	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-43	175.6	179.2	0	0	0	0	111.2	F66 R67 K68 Q72 G73 G77 L78 L81 R152	F66-V70 PolarHBondContact O-N 3.32Å; F66-V70 VanDerWaalsContact O-N 3.1Å; R67-V70 PolarHBondContact O-N 3.48Å; K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 3.45Å; V70-Q72 PolarHBondContact O-N 3.31Å; V70-G73 PolarHBondContact O-N 3.38Å; V70-G77 VanDerWaalsContact CG2-C 3.45Å; V70-G77 WeakPolarHBondContact CG2-O 3.35Å; V70-L78 HydrophobicContact CG1-CD1 4.19Å; V70-L78 HydrophobicContact CG2-CB 4.32Å; V70-L81 HydrophobicContact CB-CD2 4.37Å; V70-L81 HydrophobicContact CG1-CD2 4.33Å; V70-L81 HydrophobicContact CG2-CB 4.1Å; V70-L81 HydrophobicContact CG2-CD2 3.81Å; V70-R152 PolarHBondContact O-NH2 2.83Å
71	K	91.5	Very high	91.8	Very high	188 Å²	188	49 Å²	49	82%	0.817	23%	0.231	S	C	*	.	H	α-helix	trans	-59.9	-30.6	173.6	-72.1	-174.6	177.7	-167.1	0	112.8	R67 K68 G73	R67-K71 WeakPolarHBondContact O-CG 3.28Å; R67-K71 PolarHBondContact O-N 3.42Å; K68-K71 PolarHBondContact O-N 3.48Å; K71-G73 VanDerWaalsContact C-N 3.33Å; K71-G73 PolarHBondContact O-N 3.31Å
72	Q	89.4	Confident	91.7	Very high	120 Å²	120	49.3 Å²	49.3	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	6.4	-179	-73.3	177.9	-32.7	0	0	115.3	K68 Q69 V70 I74	K68-Q72 WeakPolarHBondContact O-CG 3.14Å; K68-Q72 PolarHBondContact O-N 2.92Å; K68-Q72 VanDerWaalsContact O-N 3.1Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-Q72 VanDerWaalsContact O-N 3.15Å; V70-Q72 PolarHBondContact O-N 3.31Å; Q72-I74 HydrophobicContact CB-CD1 4.5Å; Q72-I74 HydrophobicContact CB-CG1 4.42Å
73	G	84.9	Confident	91.6	Very high	33 Å²	33	49.3 Å²	49.3	34%	0.34	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-12.8	179.7	0	0	0	0	0	115	Q69 V70 K71 I75 R152	Q69-G73 PolarHBondContact O-N 3Å; V70-G73 PolarHBondContact O-N 3.38Å; K71-G73 VanDerWaalsContact C-N 3.33Å; K71-G73 PolarHBondContact O-N 3.31Å; G73-I75 PolarHBondContact O-N 3.14Å; G73-R152 PolarHBondContact O-NE 3.4Å; G73-R152 PolarHBondContact O-NH2 2.86Å
74	I	87.4	Confident	91.6	Very high	70 Å²	70	48.7 Å²	48.7	36%	0.359	23%	0.23	S	C	.	.			trans	-74.5	112.3	-166.9	-54.1	174.4	0	0	0	111.2	Q69 Q72 S76 G77 L78	Q69-I74 HydrophobicContact CB-CB 4.3Å; Q69-I74 HydrophobicContact CB-CD1 4.08Å; Q69-I74 HydrophobicContact CG-CD1 4.18Å; Q69-I74 WeakPolarHBondContact O-CB 3.44Å; Q69-I74 PolarHBondContact O-N 2.95Å; Q69-I74 VanDerWaalsContact O-N 3.14Å; Q72-I74 HydrophobicContact CB-CD1 4.5Å; Q72-I74 HydrophobicContact CB-CG1 4.42Å; I74-S76 PolarHBondContact O-N 3.33Å; I74-G77 PolarHBondContact O-N 3.35Å; I74-L78 PolarHBondContact O-N 2.91Å
75	I	88.6	Confident	91.6	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-44.6	-178.2	-66.4	155.5	0	0	0	111.9	G73 G77 L78 F79 E137 Q149 M150 R152 I155	G73-I75 PolarHBondContact O-N 3.14Å; I75-G77 PolarHBondContact O-N 3.35Å; I75-L78 WeakPolarHBondContact O-CA 3.36Å; I75-L78 VanDerWaalsContact O-CB 3.25Å; I75-L78 WeakPolarHBondContact O-CB 3.22Å; I75-L78 PolarHBondContact O-N 3.39Å; I75-F79 HydrophobicContact CG2-CD2 3.86Å; I75-F79 HydrophobicContact CG2-CE2 3.57Å; I75-F79 PolarHBondContact O-N 3.37Å; I75-F79 VanDerWaalsContact O-N 3.11Å; I75-E137 HydrophobicContact CG2-CG 4.38Å; I75-E137 WeakPolarHBondContact CG2-OE1 3.46Å; I75-Q149 HydrophobicContact CD1-CB 3.88Å; I75-M150 WeakPolarHBondContact CD1-O 3.41Å; I75-R152 HydrophobicContact CG1-CG 4.42Å; I75-I155 HydrophobicContact CG2-CD1 3.32Å
76	S	87.5	Confident	91.6	Very high	19 Å²	19	47 Å²	47	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-34.2	177.5	-61.8	0	0	0	0	113.1	I74 L78 I80 E137 R138	I74-S76 PolarHBondContact O-N 3.33Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-I80 WeakPolarHBondContact O-CG1 3.29Å; S76-I80 PolarHBondContact O-N 3.43Å; S76-E137 PolarHBondContact N-OE1 3.48Å; S76-E137 PolarHBondContact OG-OE1 2.88Å; S76-R138 VanDerWaalsContact OG-CZ 3.25Å; S76-R138 PolarHBondContact OG-NH1 2.98Å; S76-R138 PolarHBondContact OG-NH2 2.95Å
77	G	90.8	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-32	173.9	0	0	0	0	0	112.5	V70 I74 I75 L81	V70-G77 VanDerWaalsContact CG2-C 3.45Å; V70-G77 WeakPolarHBondContact CG2-O 3.35Å; I74-G77 PolarHBondContact O-N 3.35Å; I75-G77 PolarHBondContact O-N 3.35Å; G77-L81 WeakPolarHBondContact O-CB 3.07Å; G77-L81 PolarHBondContact O-N 2.95Å
78	L	92.3	Very high	91.8	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-45.5	176.1	175.9	64.7	0	0	0	110.8	V70 I74 I75 S76 I80 L81 L82 I155	V70-L78 HydrophobicContact CG1-CD1 4.19Å; V70-L78 HydrophobicContact CG2-CB 4.32Å; I74-L78 PolarHBondContact O-N 2.91Å; I75-L78 WeakPolarHBondContact O-CA 3.36Å; I75-L78 VanDerWaalsContact O-CB 3.25Å; I75-L78 WeakPolarHBondContact O-CB 3.22Å; I75-L78 PolarHBondContact O-N 3.39Å; S76-L78 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 3.35Å; L78-L81 WeakPolarHBondContact O-CB 3.45Å; L78-L81 PolarHBondContact O-N 3.18Å; L78-L82 HydrophobicContact CD1-CD1 4.26Å; L78-L82 HydrophobicContact CD1-CG 4.25Å; L78-L82 HydrophobicContact CG-CD1 3.95Å; L78-L82 HydrophobicContact CG-CG 4.42Å; L78-L82 VanDerWaalsContact O-CG 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 2.78Å; L78-I155 HydrophobicContact CD2-CG2 4.48Å
79	F	93	Very high	92	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.1	-79.3	-62.3	0	0	0	113.4	I75 L81 L82 L83 L133 I134 E137 I155	I75-F79 HydrophobicContact CG2-CD2 3.86Å; I75-F79 HydrophobicContact CG2-CE2 3.57Å; I75-F79 PolarHBondContact O-N 3.37Å; I75-F79 VanDerWaalsContact O-N 3.11Å; F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 3.16Å; F79-L82 HydrophobicContact CD1-CD1 4.44Å; F79-L82 PolarHBondContact O-N 3.1Å; F79-L83 PolarHBondContact O-N 3.48Å; F79-L133 HydrophobicContact CE1-CB 3.84Å; F79-L133 HydrophobicContact CZ-CB 4.28Å; F79-I134 HydrophobicContact CB-CD1 4.03Å; F79-I134 HydrophobicContact CB-CG1 3.7Å; F79-I134 HydrophobicContact CD1-CD1 4.46Å; F79-I134 HydrophobicContact CD1-CG1 3.66Å; F79-I134 HydrophobicContact CD2-CG1 4.5Å; F79-I134 HydrophobicContact CE1-CG1 4.4Å; F79-I134 HydrophobicContact CG-CG1 3.72Å; F79-E137 HydrophobicContact CD2-CG 4.34Å; F79-E137 WeakPolarHBondContact CD2-OE2 3.46Å; F79-E137 HydrophobicContact CE2-CB 3.87Å; F79-E137 HydrophobicContact CE2-CG 3.83Å; F79-E137 HydrophobicContact CZ-CB 4.47Å; F79-I155 HydrophobicContact CE1-CG2 3.76Å; F79-I155 HydrophobicContact CE2-CD1 3.68Å; F79-I155 HydrophobicContact CE2-CG1 4.37Å; F79-I155 HydrophobicContact CZ-CB 4.47Å; F79-I155 HydrophobicContact CZ-CD1 3.66Å; F79-I155 HydrophobicContact CZ-CG1 3.84Å; F79-I155 HydrophobicContact CZ-CG2 3.79Å
80	I	93.6	Very high	92.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176.3	-66.5	169.1	0	0	0	110.5	V62 F66 S76 L78 A84 L482 Y541	V62-I80 HydrophobicContact CG1-CG2 3.64Å; F66-I80 HydrophobicContact CD1-CB 4.34Å; F66-I80 HydrophobicContact CD1-CD1 4.16Å; F66-I80 HydrophobicContact CD1-CG2 4.19Å; F66-I80 HydrophobicContact CD2-CG2 3.71Å; F66-I80 HydrophobicContact CE1-CD1 3.57Å; F66-I80 HydrophobicContact CE1-CG2 4.26Å; F66-I80 HydrophobicContact CE2-CG2 3.79Å; F66-I80 HydrophobicContact CG-CB 4.43Å; F66-I80 HydrophobicContact CG-CG2 3.92Å; F66-I80 HydrophobicContact CZ-CD1 3.84Å; F66-I80 HydrophobicContact CZ-CG2 4.07Å; S76-I80 WeakPolarHBondContact O-CG1 3.29Å; S76-I80 PolarHBondContact O-N 3.43Å; L78-I80 PolarHBondContact O-N 3.35Å; I80-A84 WeakPolarHBondContact O-CB 3.3Å; I80-A84 PolarHBondContact O-N 3.46Å; I80-A84 VanDerWaalsContact O-N 3.07Å; I80-L482 HydrophobicContact CG1-CD2 4.24Å; I80-Y541 HydrophobicContact CD1-CE1 4.47Å; I80-Y541 HydrophobicContact CG1-CE1 4.4Å; I80-Y541 HydrophobicContact CG2-CE1 4.36Å; I80-Y541 HydrophobicContact CG2-CE2 4.09Å
81	L	94.4	Very high	92.6	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-45.3	176	-174.9	72	0	0	0	111.8	I63 V70 G77 L78 F79 A84 C85	I63-L81 HydrophobicContact CB-CD1 3.98Å; I63-L81 HydrophobicContact CG1-CD1 3.88Å; I63-L81 HydrophobicContact CG2-CD1 3.9Å; V70-L81 HydrophobicContact CB-CD2 4.37Å; V70-L81 HydrophobicContact CG1-CD2 4.33Å; V70-L81 HydrophobicContact CG2-CB 4.1Å; V70-L81 HydrophobicContact CG2-CD2 3.81Å; G77-L81 WeakPolarHBondContact O-CB 3.07Å; G77-L81 PolarHBondContact O-N 2.95Å; L78-L81 WeakPolarHBondContact O-CB 3.45Å; L78-L81 PolarHBondContact O-N 3.18Å; F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 3.16Å; L81-A84 PolarHBondContact O-N 2.9Å; L81-C85 PolarHBondContact O-N 3.36Å; L81-C85 PolarHBondContact O-SG 3.16Å; L81-C85 VanDerWaalsContact O-SG 3.33Å
82	L	93.5	Very high	92.8	Very high	48 Å²	48	31.5 Å²	31.5	25%	0.251	17%	0.172	S	C	.	.	H	α-helix	trans	-60.2	-45.4	178.8	-74.2	163.9	0	0	0	111.8	L78 F79 C85 N86 L159	L78-L82 HydrophobicContact CD1-CD1 4.26Å; L78-L82 HydrophobicContact CD1-CG 4.25Å; L78-L82 HydrophobicContact CG-CD1 3.95Å; L78-L82 HydrophobicContact CG-CG 4.42Å; L78-L82 VanDerWaalsContact O-CG 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 2.78Å; F79-L82 HydrophobicContact CD1-CD1 4.44Å; F79-L82 PolarHBondContact O-N 3.1Å; L82-C85 PolarHBondContact O-N 3.27Å; L82-N86 PolarHBondContact O-N 3.02Å; L82-L159 HydrophobicContact CD1-CD1 3.32Å; L82-L159 HydrophobicContact CD2-CD1 4.04Å; L82-L159 HydrophobicContact CG-CD1 4.31Å
83	L	93.9	Very high	93.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-44.4	176.5	-171.1	65.6	0	0	0	111.3	F79 C85 N86 D87 I130 L131 V485	F79-L83 PolarHBondContact O-N 3.48Å; L83-C85 PolarHBondContact O-N 3.18Å; L83-N86 WeakPolarHBondContact O-CB 3.21Å; L83-N86 PolarHBondContact O-N 3.38Å; L83-D87 PolarHBondContact O-N 3.43Å; L83-I130 HydrophobicContact CD1-CG2 4.37Å; L83-L131 HydrophobicContact CD2-CD2 4.25Å; L83-V485 HydrophobicContact CD2-CG1 3.61Å
84	A	95.9	Very high	93.5	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-36.1	177.6	0	0	0	0	0	113.1	N59 V62 I63 I80 L81 L88	N59-A84 HydrophobicContact CB-CB 4.35Å; V62-A84 HydrophobicContact CB-CB 3.95Å; V62-A84 HydrophobicContact CG1-CB 3.62Å; I63-A84 HydrophobicContact CD1-CB 4.48Å; I63-A84 HydrophobicContact CG1-CB 3.85Å; I80-A84 WeakPolarHBondContact O-CB 3.3Å; I80-A84 PolarHBondContact O-N 3.46Å; I80-A84 VanDerWaalsContact O-N 3.07Å; L81-A84 PolarHBondContact O-N 2.9Å; A84-L88 VanDerWaalsContact O-CB 3.24Å; A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 2.86Å
85	C	95.2	Very high	93.9	Very high	60 Å²	60	24.7 Å²	24.7	41%	0.405	13%	0.132	S	C	.	.	H	α-helix	trans	-65.5	-42.3	173.4	-71.8	0	0	0	0	111.8	L81 L82 L83 L88 F89	L81-C85 PolarHBondContact O-N 3.36Å; L81-C85 PolarHBondContact O-SG 3.16Å; L81-C85 VanDerWaalsContact O-SG 3.33Å; L82-C85 PolarHBondContact O-N 3.27Å; L83-C85 PolarHBondContact O-N 3.18Å; C85-L88 PolarHBondContact O-N 3.42Å; C85-F89 PolarHBondContact O-N 2.81Å
86	N	94.2	Very high	94.2	Very high	19 Å²	19	26.6 Å²	26.6	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-48.4	175.8	177.1	77.4	0	0	0	111.4	L82 L83 L88 F89 I90 S127	L82-N86 PolarHBondContact O-N 3.02Å; L83-N86 WeakPolarHBondContact O-CB 3.21Å; L83-N86 PolarHBondContact O-N 3.38Å; N86-L88 VanDerWaalsContact C-N 3.3Å; N86-L88 PolarHBondContact O-N 3.4Å; N86-F89 WeakPolarHBondContact O-CB 3.43Å; N86-F89 PolarHBondContact O-N 3.47Å; N86-I90 WeakPolarHBondContact O-CG1 3.42Å; N86-I90 PolarHBondContact O-N 3.26Å; N86-S127 PolarHBondContact ND2-OG 3.4Å
87	D	95.4	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-36	176.9	-71.6	-37.1	0	0	0	112.5	N59 L83 I90 C91 S534 N537	N59-D87 WeakPolarHBondContact ND2-CB 3.47Å; L83-D87 PolarHBondContact O-N 3.43Å; D87-I90 WeakPolarHBondContact O-CB 3.4Å; D87-I90 PolarHBondContact O-N 2.9Å; D87-C91 PolarHBondContact O-N 2.74Å; D87-C91 PolarHBondContact O-SG 3.35Å; D87-S534 WeakPolarHBondContact OD1-CA 3.4Å; D87-S534 WeakPolarHBondContact OD1-CB 3.16Å; D87-S534 PolarHBondContact OD1-OG 3.23Å; D87-N537 PolarHBondContact OD2-ND2 2.85Å
88	L	96.3	Very high	94.6	Very high	30 Å²	30	27.8 Å²	27.8	16%	0.157	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-40.1	175	-172.9	65.4	0	0	0	111.8	I56 N59 I63 A84 C85 N86 I90 C91 L92	I56-L88 HydrophobicContact CB-CD1 4.35Å; I56-L88 HydrophobicContact CG1-CD1 4.27Å; I56-L88 HydrophobicContact CG2-CD1 4.31Å; N59-L88 HydrophobicContact CB-CB 4.25Å; I63-L88 HydrophobicContact CD1-CB 4.46Å; I63-L88 HydrophobicContact CD1-CD2 3.71Å; A84-L88 VanDerWaalsContact O-CB 3.24Å; A84-L88 WeakPolarHBondContact O-CB 3.4Å; A84-L88 PolarHBondContact O-N 2.86Å; C85-L88 PolarHBondContact O-N 3.42Å; N86-L88 VanDerWaalsContact C-N 3.3Å; N86-L88 PolarHBondContact O-N 3.4Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 2.96Å; L88-C91 PolarHBondContact O-N 3.11Å; L88-L92 HydrophobicContact CD1-CD1 3.93Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CD2-CD1 4.26Å; L88-L92 HydrophobicContact CG-CD1 3.71Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CB 3.32Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.44Å
89	F	95.1	Very high	94.7	Very high	87 Å²	87	27.6 Å²	27.6	38%	0.382	15%	0.152	S	C	.	.	H	α-helix	trans	-60.2	-42.5	172.9	175.8	-94.9	0	0	0	111.4	C85 N86 L92 I93 V94 M119 V123	C85-F89 PolarHBondContact O-N 2.81Å; N86-F89 WeakPolarHBondContact O-CB 3.43Å; N86-F89 PolarHBondContact O-N 3.47Å; F89-L92 PolarHBondContact O-N 2.78Å; F89-I93 HydrophobicContact CD2-CD1 3.67Å; F89-I93 HydrophobicContact CD2-CG1 4.49Å; F89-I93 HydrophobicContact CE2-CB 4.28Å; F89-I93 HydrophobicContact CE2-CD1 3.46Å; F89-I93 VanDerWaalsContact CE2-CD1 3.46Å; F89-I93 HydrophobicContact CE2-CG1 4.39Å; F89-I93 HydrophobicContact CE2-CG2 4.42Å; F89-I93 HydrophobicContact CZ-CB 4.48Å; F89-I93 HydrophobicContact CZ-CD1 4.38Å; F89-I93 HydrophobicContact CZ-CG2 4.35Å; F89-I93 PolarHBondContact O-N 3.26Å; F89-V94 HydrophobicContact CD1-CG2 4.07Å; F89-V94 HydrophobicContact CE1-CG2 3.83Å; F89-M119 HydrophobicContact CE1-CG 4.11Å; F89-M119 HydrophobicContact CE1-SD 3.79Å; F89-M119 HydrophobicContact CZ-CG 4.36Å; F89-M119 HydrophobicContact CZ-SD 3.65Å; F89-V123 HydrophobicContact CD1-CG2 4.42Å; F89-V123 HydrophobicContact CE1-CG2 4.09Å
90	I	94.8	Very high	94.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.175	C	C	.	.	I	π-helix	trans	-59.1	-50	175.1	-65	171.6	0	0	0	110.7	N86 D87 L88 L92 V94 I95 V123 F531 S534	N86-I90 WeakPolarHBondContact O-CG1 3.42Å; N86-I90 PolarHBondContact O-N 3.26Å; D87-I90 WeakPolarHBondContact O-CB 3.4Å; D87-I90 PolarHBondContact O-N 2.9Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 2.96Å; I90-L92 PolarHBondContact O-N 3.14Å; I90-V94 HydrophobicContact CB-CG2 4.49Å; I90-V94 HydrophobicContact CG1-CG2 4.37Å; I90-V94 HydrophobicContact CG2-CB 4.29Å; I90-V94 WeakPolarHBondContact O-CB 3.35Å; I90-V94 PolarHBondContact O-N 3.41Å; I90-V94 VanDerWaalsContact O-N 3.15Å; I90-I95 HydrophobicContact CG2-CD1 4.5Å; I90-I95 HydrophobicContact CG2-CG1 4.29Å; I90-I95 PolarHBondContact O-N 2.98Å; I90-V123 HydrophobicContact CD1-CG1 3.34Å; I90-V123 HydrophobicContact CG1-CG1 3.44Å; I90-V123 VanDerWaalsContact CG1-CG1 3.44Å; I90-F531 HydrophobicContact CG2-CD1 3.64Å; I90-F531 HydrophobicContact CG2-CE1 3.75Å; I90-S534 WeakPolarHBondContact CD1-OG 3.42Å
91	C	96.4	Very high	94.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.177	C	C	.	.	I	π-helix	trans	-70	-32.3	-177	-61.8	0	0	0	0	113.8	I56 D87 L88 P96	I56-C91 HydrophobicContact CD1-CB 4.48Å; I56-C91 HydrophobicContact CG1-CB 3.76Å; D87-C91 PolarHBondContact O-N 2.74Å; D87-C91 PolarHBondContact O-SG 3.35Å; L88-C91 PolarHBondContact O-N 3.11Å; C91-P96 WeakPolarHBondContact O-CD 3.3Å
92	L	96.7	Very high	94.3	Very high	91 Å²	91	34.9 Å²	34.9	48%	0.476	18%	0.183	S	C	.	.	I	π-helix	trans	-85.9	-32.1	-177.8	-73	175.2	0	0	0	114.1	I56 L88 F89 I90 P96	I56-L92 HydrophobicContact CD1-CD2 3.67Å; I56-L92 HydrophobicContact CD1-CG 4.45Å; I56-L92 HydrophobicContact CG1-CD2 3.81Å; I56-L92 HydrophobicContact CG1-CG 4.17Å; I56-L92 HydrophobicContact CG2-CD2 4.45Å; L88-L92 HydrophobicContact CD1-CD1 3.93Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CD2-CD1 4.26Å; L88-L92 HydrophobicContact CG-CD1 3.71Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CB 3.32Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.44Å; F89-L92 PolarHBondContact O-N 2.78Å; I90-L92 PolarHBondContact O-N 3.14Å; L92-P96 WeakPolarHBondContact O-CG 3.37Å
93	I	94.7	Very high	94	Very high	77 Å²	77	32.7 Å²	32.7	40%	0.395	17%	0.171	S	C	.	.	I	π-helix	trans	-119.8	-55.5	-171.1	-63.3	174.4	0	0	0	110.6	F89 I95 P96 C97 M119	F89-I93 HydrophobicContact CD2-CD1 3.67Å; F89-I93 HydrophobicContact CD2-CG1 4.49Å; F89-I93 HydrophobicContact CE2-CB 4.28Å; F89-I93 HydrophobicContact CE2-CD1 3.46Å; F89-I93 VanDerWaalsContact CE2-CD1 3.46Å; F89-I93 HydrophobicContact CE2-CG1 4.39Å; F89-I93 HydrophobicContact CE2-CG2 4.42Å; F89-I93 HydrophobicContact CZ-CB 4.48Å; F89-I93 HydrophobicContact CZ-CD1 4.38Å; F89-I93 HydrophobicContact CZ-CG2 4.35Å; F89-I93 PolarHBondContact O-N 3.26Å; I93-I95 PolarHBondContact O-N 2.67Å; I93-P96 WeakPolarHBondContact O-CD 3.28Å; I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 3.25Å; I93-C97 PolarHBondContact O-SG 3.01Å; I93-M119 HydrophobicContact CG2-CE 4.14Å; I93-M119 HydrophobicContact CG2-SD 3.93Å
94	V	94.2	Very high	93.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	20%	0.196	C	C	.	.	I	π-helix	trans	-65.4	-45.1	-172.7	-173.4	0	0	0	0	111.9	F89 I90 T98 M119 K120 V123 F531	F89-V94 HydrophobicContact CD1-CG2 4.07Å; F89-V94 HydrophobicContact CE1-CG2 3.83Å; I90-V94 HydrophobicContact CB-CG2 4.49Å; I90-V94 HydrophobicContact CG1-CG2 4.37Å; I90-V94 HydrophobicContact CG2-CB 4.29Å; I90-V94 WeakPolarHBondContact O-CB 3.35Å; I90-V94 PolarHBondContact O-N 3.41Å; I90-V94 VanDerWaalsContact O-N 3.15Å; V94-T98 VanDerWaalsContact O-CB 3.31Å; V94-T98 WeakPolarHBondContact O-CB 3.27Å; V94-T98 PolarHBondContact O-N 3.49Å; V94-T98 PolarHBondContact O-OG1 3.49Å; V94-M119 HydrophobicContact CB-CE 4.19Å; V94-M119 HydrophobicContact CG1-CE 4.32Å; V94-M119 HydrophobicContact CG2-CE 3.86Å; V94-M119 HydrophobicContact CG2-CG 4.05Å; V94-M119 HydrophobicContact CG2-SD 3.78Å; V94-K120 HydrophobicContact CG1-CG 4.22Å; V94-V123 HydrophobicContact CG2-CG2 4.03Å; V94-F531 HydrophobicContact CB-CE1 4.38Å; V94-F531 HydrophobicContact CG1-CE1 3.79Å; V94-F531 HydrophobicContact CG1-CZ 3.98Å
95	I	94.6	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-50.5	-179.9	-65.5	177.8	0	0	0	111.3	L48 I51 A52 I90 I93 C97 T98 L99 F531	L48-I95 HydrophobicContact CB-CG2 3.93Å; L48-I95 HydrophobicContact CD2-CG2 4.44Å; I51-I95 HydrophobicContact CG2-CD1 3.91Å; A52-I95 HydrophobicContact CB-CB 4.49Å; A52-I95 HydrophobicContact CB-CD1 4.18Å; A52-I95 HydrophobicContact CB-CG2 4.08Å; I90-I95 HydrophobicContact CG2-CD1 4.5Å; I90-I95 HydrophobicContact CG2-CG1 4.29Å; I90-I95 PolarHBondContact O-N 2.98Å; I93-I95 PolarHBondContact O-N 2.67Å; I95-C97 PolarHBondContact O-N 3.37Å; I95-T98 WeakPolarHBondContact O-CB 3.33Å; I95-T98 PolarHBondContact O-N 2.89Å; I95-T98 VanDerWaalsContact O-N 3.15Å; I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 HydrophobicContact CG2-CG 4.43Å; I95-L99 PolarHBondContact O-N 2.98Å; I95-F531 HydrophobicContact CD1-CB 4.25Å; I95-F531 HydrophobicContact CD1-CD1 3.83Å; I95-F531 HydrophobicContact CD1-CE1 4.43Å; I95-F531 HydrophobicContact CD1-CG 4.21Å; I95-F531 HydrophobicContact CG1-CD1 3.42Å; I95-F531 VanDerWaalsContact CG1-CD1 3.42Å; I95-F531 HydrophobicContact CG1-CE1 3.53Å; I95-F531 HydrophobicContact CG1-CG 4.01Å; I95-F531 HydrophobicContact CG1-CZ 4.17Å
96	P	95.3	Very high	92.7	Very high	59 Å²	59	40 Å²	40	38%	0.383	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-42.3	175.8	-29.6	39.2	0	0	0	114.1	C91 L92 I93 T98 L99 Y100	C91-P96 WeakPolarHBondContact O-CD 3.3Å; L92-P96 WeakPolarHBondContact O-CG 3.37Å; I93-P96 WeakPolarHBondContact O-CD 3.28Å; P96-T98 VanDerWaalsContact C-N 3.33Å; P96-T98 PolarHBondContact O-N 3.31Å; P96-L99 PolarHBondContact O-N 3.5Å; P96-Y100 PolarHBondContact O-N 3.27Å
97	C	94.2	Very high	92.3	Very high	43 Å²	43	42.4 Å²	42.4	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-61.4	-41.5	173.9	-70.8	0	0	0	0	111.6	I93 I95 Y100 L101 M119	I93-C97 WeakPolarHBondContact O-CB 3.48Å; I93-C97 PolarHBondContact O-N 3.25Å; I93-C97 PolarHBondContact O-SG 3.01Å; I95-C97 PolarHBondContact O-N 3.37Å; C97-Y100 PolarHBondContact O-N 3.39Å; C97-L101 HydrophobicContact CB-CD1 4.45Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CG 3.41Å; C97-L101 PolarHBondContact O-N 3.38Å; C97-M119 HydrophobicContact CB-CE 4.32Å
98	T	93.2	Very high	92.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-42	176	-58.5	0	0	0	0	111.9	L48 V94 I95 P96 D102 I103 Y528 F531	L48-T98 HydrophobicContact CD1-CG2 4.41Å; V94-T98 VanDerWaalsContact O-CB 3.31Å; V94-T98 WeakPolarHBondContact O-CB 3.27Å; V94-T98 PolarHBondContact O-N 3.49Å; V94-T98 PolarHBondContact O-OG1 3.49Å; I95-T98 WeakPolarHBondContact O-CB 3.33Å; I95-T98 PolarHBondContact O-N 2.89Å; I95-T98 VanDerWaalsContact O-N 3.15Å; P96-T98 VanDerWaalsContact C-N 3.33Å; P96-T98 PolarHBondContact O-N 3.31Å; T98-D102 HydrophobicContact CG2-CB 4.18Å; T98-D102 WeakPolarHBondContact O-CA 3.38Å; T98-D102 WeakPolarHBondContact O-CB 3.41Å; T98-D102 PolarHBondContact O-N 3.49Å; T98-I103 PolarHBondContact O-N 2.91Å; T98-I103 VanDerWaalsContact O-N 3.13Å; T98-Y528 HydrophobicContact CG2-CD1 4.22Å; T98-Y528 HydrophobicContact CG2-CE1 3.55Å; T98-F531 HydrophobicContact CG2-CE2 4.14Å; T98-F531 HydrophobicContact CG2-CZ 4.36Å
99	L	94	Very high	91.8	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.126	23%	0.227	C	C	.	.	I	π-helix	trans	-60.4	-48.2	175.7	-78.5	169.7	0	0	0	111	T45 L48 I49 I95 P96 I103 W104	T45-L99 HydrophobicContact CG2-CD2 4.11Å; L48-L99 HydrophobicContact CB-CD1 4.34Å; L48-L99 HydrophobicContact CB-CD2 3.91Å; L48-L99 HydrophobicContact CB-CG 4.2Å; L48-L99 HydrophobicContact CD1-CD2 3.79Å; L48-L99 HydrophobicContact CD1-CG 4.14Å; L48-L99 HydrophobicContact CG-CD2 4.48Å; I49-L99 HydrophobicContact CG1-CD1 3.86Å; I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 HydrophobicContact CG2-CG 4.43Å; I95-L99 PolarHBondContact O-N 2.98Å; P96-L99 PolarHBondContact O-N 3.5Å; L99-I103 HydrophobicContact CD2-CG1 4.29Å; L99-I103 WeakPolarHBondContact O-CB 3.28Å; L99-W104 VanDerWaalsContact O-CD1 3.31Å; L99-W104 PolarHBondContact O-N 2.87Å
100	Y	93.9	Very high	91.6	Very high	124 Å²	124	42.7 Å²	42.7	49%	0.486	22%	0.223	S	C	.	.	I	π-helix	trans	-69.4	-50.5	-177.9	-174.8	-104.7	0	0	0	112.6	P96 C97 T105 G106 D107	P96-Y100 PolarHBondContact O-N 3.27Å; C97-Y100 PolarHBondContact O-N 3.39Å; Y100-T105 PolarHBondContact O-N 2.95Å; Y100-G106 PolarHBondContact O-N 3.5Å; Y100-D107 WeakPolarHBondContact CE1-O 3.4Å; Y100-D107 PolarHBondContact OH-N 2.89Å; Y100-D107 PolarHBondContact OH-O 3.38Å
101	L	91.4	Very high	91.4	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.058	25%	0.251	C	S	.	.	I	π-helix	trans	-84.9	-43.1	-170.5	-60.6	170.1	0	0	0	113.2	C97 T105 T108 I112 H116	C97-L101 HydrophobicContact CB-CD1 4.45Å; C97-L101 VanDerWaalsContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CG 3.41Å; C97-L101 PolarHBondContact O-N 3.38Å; L101-T105 WeakPolarHBondContact O-CA 3.5Å; L101-T108 HydrophobicContact CD2-CG2 3.89Å; L101-T108 WeakPolarHBondContact CD2-OG1 3.26Å; L101-I112 HydrophobicContact CD1-CG2 3.71Å; L101-I112 HydrophobicContact CD2-CG2 4.07Å; L101-H116 HydrophobicContact CD1-CB 3.52Å; L101-H116 VanDerWaalsContact CD1-CG 3.46Å
102	D	87	Confident	91.2	Very high	50 Å²	50	52.7 Å²	52.7	27%	0.267	26%	0.264	S	S	.	.	I	π-helix	trans	-94.6	-40.4	-173.7	-59.9	-8.7	0	0	0	112.7	T98 H116 K120 Y528	T98-D102 HydrophobicContact CG2-CB 4.18Å; T98-D102 WeakPolarHBondContact O-CA 3.38Å; T98-D102 WeakPolarHBondContact O-CB 3.41Å; T98-D102 PolarHBondContact O-N 3.49Å; D102-H116 VanDerWaalsContact CG-NE2 3.35Å; D102-H116 IonicContact OD1-CD2 3.05Å; D102-H116 IonicContact OD1-NE2 2.75Å; D102-H116 PolarHBondContact OD1-NE2 3.11Å; D102-H116 IonicContact OD2-CE1 2.61Å; D102-H116 IonicContact OD2-NE2 3.86Å; D102-H116 PolarHBondContact OD2-NE2 3.32Å; D102-K120 IonicContact OD2-NZ 3.74Å; D102-K120 PolarHBondContact OD2-NZ 3.5Å; D102-Y528 WeakPolarHBondContact CB-OH 3.46Å
103	I	88	Confident	91	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	24%	0.241	C	C	.	.	I	π-helix	trans	-84.5	-50.3	-173.9	-60.1	-64.4	0	0	0	111.4	I41 T45 L48 T98 L99 Y528	I41-I103 HydrophobicContact CB-CG2 4.4Å; I41-I103 HydrophobicContact CG2-CG2 3.74Å; T45-I103 WeakPolarHBondContact OG1-CG2 3.12Å; L48-I103 HydrophobicContact CD1-CG1 4.17Å; T98-I103 PolarHBondContact O-N 2.91Å; T98-I103 VanDerWaalsContact O-N 3.13Å; L99-I103 HydrophobicContact CD2-CG1 4.29Å; L99-I103 WeakPolarHBondContact O-CB 3.28Å; I103-Y528 HydrophobicContact CD1-CD2 4.09Å; I103-Y528 HydrophobicContact CD1-CE2 3.3Å
104	W	88.6	Confident	90.9	Very high	136 Å²	136	47.4 Å²	47.4	52%	0.515	23%	0.232	S	C	.	.	S	Bend	trans	-95.1	-6.6	-177.7	-74.4	93.1	0	0	0	113.8	I41 T45 L99 G106	I41-W104 HydrophobicContact CG2-CD2 4.09Å; I41-W104 HydrophobicContact CG2-CE3 4.35Å; I41-W104 HydrophobicContact CG2-CH2 4.35Å; I41-W104 HydrophobicContact CG2-CZ2 4.06Å; I41-W104 HydrophobicContact CG2-CZ3 4.47Å; T45-W104 PolarHBondContact OG1-NE1 3.45Å; T45-W104 VanDerWaalsContact OG1-NE1 3.08Å; L99-W104 VanDerWaalsContact O-CD1 3.31Å; L99-W104 PolarHBondContact O-N 2.87Å; W104-G106 VanDerWaalsContact C-N 3.28Å; W104-G106 PolarHBondContact O-N 2.86Å
105	T	84.9	Confident	90.8	Very high	67 Å²	67	52 Å²	52	41%	0.411	26%	0.256	S	S	.	.			trans	50.8	47.9	179.2	58.8	0	0	0	0	112.6	Y100 L101 R216	Y100-T105 PolarHBondContact O-N 2.95Å; L101-T105 WeakPolarHBondContact O-CA 3.5Å; T105-R216 PolarHBondContact O-NE 3.12Å
106	G	83.8	Confident	90.8	Very high	13 Å²	13	52.4 Å²	52.4	13%	0.134	26%	0.258	C	S	.	.			trans	-63.9	156.1	-178.3	0	0	0	0	0	113.3	Y100 W104	Y100-G106 PolarHBondContact O-N 3.5Å; W104-G106 VanDerWaalsContact C-N 3.28Å; W104-G106 PolarHBondContact O-N 2.86Å
107	D	86.8	Confident	90.5	Very high	69 Å²	69	51.4 Å²	51.4	37%	0.369	25%	0.249	S	C	.	.			trans	-66.9	133.6	179.2	-160.4	25.1	0	0	0	111.1	Y100 S214 K215	Y100-D107 WeakPolarHBondContact CE1-O 3.4Å; Y100-D107 PolarHBondContact OH-N 2.89Å; Y100-D107 PolarHBondContact OH-O 3.38Å; D107-S214 VanDerWaalsContact OD1-CA 3.23Å; D107-S214 WeakPolarHBondContact OD1-CA 3.49Å; D107-S214 PolarHBondContact OD1-OG 2.98Å; D107-K215 CarbonylContact C-O 3.58Å; D107-K215 WeakPolarHBondContact CA-O 3.07Å; D107-K215 PolarHBondContact OD1-N 3.24Å
108	T	90	Very high	90.4	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.08	24%	0.242	C	C	.	.			trans	-157	174.8	-169.3	-161.2	0	0	0	0	114.3	L101 I112 C113 K215	L101-T108 HydrophobicContact CD2-CG2 3.89Å; L101-T108 WeakPolarHBondContact CD2-OG1 3.26Å; T108-I112 VanDerWaalsContact OG1-CB 3.31Å; T108-I112 WeakPolarHBondContact OG1-CB 3.37Å; T108-I112 VanDerWaalsContact OG1-CG2 3.25Å; T108-I112 WeakPolarHBondContact OG1-CG2 3.24Å; T108-C113 WeakPolarHBondContact CG2-SG 3.47Å; T108-K215 PolarHBondContact N-O 3.09Å; T108-K215 WeakPolarHBondContact O-CB 3.46Å
109	T	90.9	Very high	90.3	Very high	55 Å²	55	51.6 Å²	51.6	34%	0.337	25%	0.247	S	C	.	.			trans	-106.1	160.2	178.4	61.9	0	0	0	0	111.2	W111 I112 C113	T109-W111 VanDerWaalsContact C-N 3.29Å; T109-W111 PolarHBondContact O-N 3.19Å; T109-W111 PolarHBondContact OG1-NE1 3.28Å; T109-I112 PolarHBondContact O-N 3.35Å; T109-I112 VanDerWaalsContact O-N 3.16Å; T109-I112 WeakPolarHBondContact OG1-CD1 3.3Å; T109-I112 VanDerWaalsContact OG1-CG1 3.29Å; T109-I112 WeakPolarHBondContact OG1-CG1 3.34Å; T109-C113 PolarHBondContact O-N 3.45Å
110	D	89.2	Confident	90	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-55.6	-43.6	179.9	-171.4	59.8	0	0	0	112.5	I112 C113 R114 R178 A179	D110-I112 PolarHBondContact O-N 2.92Å; D110-C113 PolarHBondContact O-N 3.07Å; D110-R114 WeakPolarHBondContact O-CG 3.31Å; D110-R114 PolarHBondContact O-N 3.06Å; D110-R114 VanDerWaalsContact O-N 3.15Å; D110-R114 IonicContact OD1-NE 2.79Å; D110-R114 IonicContact OD1-NH2 2.8Å; D110-R114 IonicContact OD2-CZ 2.57Å; D110-R114 IonicContact OD2-NE 3.96Å; D110-R114 PolarHBondContact OD2-NE 3.41Å; D110-R114 IonicContact OD2-NH2 3.4Å; D110-R114 PolarHBondContact OD2-NH2 2.87Å; D110-R178 WeakPolarHBondContact OD1-CA 3.37Å; D110-R178 WeakPolarHBondContact OD1-CB 3.29Å; D110-A179 HydrophobicContact CB-CB 4.17Å; D110-A179 PolarHBondContact OD1-N 3.29Å; D110-A179 VanDerWaalsContact OD1-N 3.11Å
111	W	91.7	Very high	89.5	Confident	163 Å²	163	45.7 Å²	45.7	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-65.7	-35.8	-179.7	65.6	-97.3	0	0	0	113.1	T109 I115	T109-W111 VanDerWaalsContact C-N 3.29Å; T109-W111 PolarHBondContact O-N 3.19Å; T109-W111 PolarHBondContact OG1-NE1 3.28Å; W111-I115 HydrophobicContact CE3-CD1 3.79Å; W111-I115 HydrophobicContact CZ3-CD1 4.36Å; W111-I115 WeakPolarHBondContact O-CB 3.41Å; W111-I115 WeakPolarHBondContact O-CG1 3.44Å; W111-I115 PolarHBondContact O-N 3.41Å
112	I	92.7	Very high	89.3	Confident	51 Å²	51	46.9 Å²	46.9	26%	0.262	23%	0.23	S	C	.	.	H	α-helix	trans	-67	-44.2	177.6	-67.7	170.2	0	0	0	110	L101 T108 T109 D110 R114 I115 H116	L101-I112 HydrophobicContact CD1-CG2 3.71Å; L101-I112 HydrophobicContact CD2-CG2 4.07Å; T108-I112 VanDerWaalsContact OG1-CB 3.31Å; T108-I112 WeakPolarHBondContact OG1-CB 3.37Å; T108-I112 VanDerWaalsContact OG1-CG2 3.25Å; T108-I112 WeakPolarHBondContact OG1-CG2 3.24Å; T109-I112 PolarHBondContact O-N 3.35Å; T109-I112 VanDerWaalsContact O-N 3.16Å; T109-I112 WeakPolarHBondContact OG1-CD1 3.3Å; T109-I112 VanDerWaalsContact OG1-CG1 3.29Å; T109-I112 WeakPolarHBondContact OG1-CG1 3.34Å; D110-I112 PolarHBondContact O-N 2.92Å; I112-R114 PolarHBondContact O-N 3.17Å; I112-I115 PolarHBondContact O-N 3.47Å; I112-H116 VanDerWaalsContact O-CB 3.25Å; I112-H116 WeakPolarHBondContact O-CB 3.3Å; I112-H116 PolarHBondContact O-N 2.67Å
113	C	91.7	Very high	89.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-49.6	177.1	-69.2	0	0	0	0	112	T108 T109 D110 H116 L117 V177 C217	T108-C113 WeakPolarHBondContact CG2-SG 3.47Å; T109-C113 PolarHBondContact O-N 3.45Å; D110-C113 PolarHBondContact O-N 3.07Å; C113-H116 PolarHBondContact O-N 3.38Å; C113-L117 PolarHBondContact O-N 2.69Å; C113-L117 VanDerWaalsContact O-N 3.09Å; C113-V177 HydrophobicContact CB-CG1 4.25Å; C113-V177 HydrophobicContact CB-CG2 4.15Å; C113-C217 WeakPolarHBondContact CA-SG 3.47Å; C113-C217 HydrophobicContact CB-CB 3.84Å; C113-C217 WeakPolarHBondContact CB-SG 3.18Å; C113-C217 WeakPolarHBondContact SG-CA 3.42Å; C113-C217 WeakPolarHBondContact SG-CB 3.33Å; C113-C217 CovalentContact SG-SG 2.03Å; C113-C217 PolarHBondContact SG-SG 3.41Å
114	R	93.1	Very high	89	Confident	56 Å²	56	44.9 Å²	44.9	21%	0.211	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-44.8	-179.5	-63.2	-177.8	-169	-138.7	2.2	111.7	D110 I112 T118 G174 V177	D110-R114 WeakPolarHBondContact O-CG 3.31Å; D110-R114 PolarHBondContact O-N 3.06Å; D110-R114 VanDerWaalsContact O-N 3.15Å; D110-R114 IonicContact OD1-NE 2.79Å; D110-R114 IonicContact OD1-NH2 2.8Å; D110-R114 IonicContact OD2-CZ 2.57Å; D110-R114 IonicContact OD2-NE 3.96Å; D110-R114 PolarHBondContact OD2-NE 3.41Å; D110-R114 IonicContact OD2-NH2 3.4Å; D110-R114 PolarHBondContact OD2-NH2 2.87Å; I112-R114 PolarHBondContact O-N 3.17Å; R114-T118 WeakPolarHBondContact O-CB 3.24Å; R114-T118 PolarHBondContact O-N 3.12Å; R114-T118 PolarHBondContact O-OG1 2.85Å; R114-G174 WeakPolarHBondContact CG-O 3.43Å; R114-G174 WeakPolarHBondContact O-CA 3.38Å; R114-V177 HydrophobicContact CG-CG1 4.37Å
115	I	92.8	Very high	88.8	Confident	99 Å²	99	39.1 Å²	39.1	51%	0.508	20%	0.2	S	C	.	.	H	α-helix	trans	-64.7	-45.1	179	-76	166.8	0	0	0	111	W111 I112 L117 T118 M119	W111-I115 HydrophobicContact CE3-CD1 3.79Å; W111-I115 HydrophobicContact CZ3-CD1 4.36Å; W111-I115 WeakPolarHBondContact O-CB 3.41Å; W111-I115 WeakPolarHBondContact O-CG1 3.44Å; W111-I115 PolarHBondContact O-N 3.41Å; I112-I115 PolarHBondContact O-N 3.47Å; I115-L117 PolarHBondContact O-N 2.79Å; I115-T118 PolarHBondContact O-N 3.09Å; I115-M119 WeakPolarHBondContact O-CB 3.39Å; I115-M119 PolarHBondContact O-N 3.19Å
116	H	92.7	Very high	88.9	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-47.9	179.1	169.8	64	0	0	0	111.8	L101 D102 I112 C113 M119 K120	L101-H116 HydrophobicContact CD1-CB 3.52Å; L101-H116 VanDerWaalsContact CD1-CG 3.46Å; D102-H116 VanDerWaalsContact CG-NE2 3.35Å; D102-H116 IonicContact OD1-CD2 3.05Å; D102-H116 IonicContact OD1-NE2 2.75Å; D102-H116 PolarHBondContact OD1-NE2 3.11Å; D102-H116 IonicContact OD2-CE1 2.61Å; D102-H116 IonicContact OD2-NE2 3.86Å; D102-H116 PolarHBondContact OD2-NE2 3.32Å; I112-H116 VanDerWaalsContact O-CB 3.25Å; I112-H116 WeakPolarHBondContact O-CB 3.3Å; I112-H116 PolarHBondContact O-N 2.67Å; C113-H116 PolarHBondContact O-N 3.38Å; H116-M119 PolarHBondContact O-N 3.39Å; H116-K120 VanDerWaalsContact CE1-CD 3.47Å; H116-K120 WeakPolarHBondContact CE1-CD 3.2Å; H116-K120 PolarHBondContact O-N 2.82Å
117	L	90.6	Very high	89.3	Confident	39 Å²	39	35.8 Å²	35.8	20%	0.204	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-37.2	179.6	-170.7	55.1	0	0	0	112.3	C113 I115 K120 G121 M173 V177	C113-L117 PolarHBondContact O-N 2.69Å; C113-L117 VanDerWaalsContact O-N 3.09Å; I115-L117 PolarHBondContact O-N 2.79Å; L117-K120 PolarHBondContact O-N 2.81Å; L117-G121 PolarHBondContact O-N 3.21Å; L117-M173 WeakPolarHBondContact CD2-O 3.32Å; L117-M173 HydrophobicContact CG-CB 4.25Å; L117-M173 WeakPolarHBondContact CG-O 3.49Å; L117-V177 HydrophobicContact CB-CG1 3.96Å; L117-V177 HydrophobicContact CD2-CB 3.77Å; L117-V177 HydrophobicContact CD2-CG1 3.67Å; L117-V177 HydrophobicContact CG-CG1 4.46Å
118	T	92.2	Very high	89.5	Confident	22 Å²	22	32.6 Å²	32.6	14%	0.135	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-46.2	171.3	-55.5	0	0	0	0	110.9	R114 I115 K120 G121 F122 L167 A170 G174	R114-T118 WeakPolarHBondContact O-CB 3.24Å; R114-T118 PolarHBondContact O-N 3.12Å; R114-T118 PolarHBondContact O-OG1 2.85Å; I115-T118 PolarHBondContact O-N 3.09Å; T118-K120 PolarHBondContact O-N 3.07Å; T118-G121 CarbonylContact O-C 3.58Å; T118-G121 PolarHBondContact O-N 2.81Å; T118-G121 VanDerWaalsContact O-N 3.14Å; T118-F122 VanDerWaalsContact O-CB 3.27Å; T118-F122 WeakPolarHBondContact O-CB 3.25Å; T118-F122 PolarHBondContact O-N 3.41Å; T118-L167 HydrophobicContact CG2-CD1 4.13Å; T118-A170 HydrophobicContact CG2-CB 3.93Å; T118-A170 WeakPolarHBondContact O-CB 3.39Å; T118-G174 VanDerWaalsContact OG1-CA 3.27Å; T118-G174 WeakPolarHBondContact OG1-CA 3.41Å
119	M	90.6	Very high	89.6	Confident	24 Å²	24	33.3 Å²	33.3	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-44.4	179.8	-178	177.2	61.9	0	0	111.2	F89 I93 V94 C97 I115 H116 G121 F122 V123	F89-M119 HydrophobicContact CE1-CG 4.11Å; F89-M119 HydrophobicContact CE1-SD 3.79Å; F89-M119 HydrophobicContact CZ-CG 4.36Å; F89-M119 HydrophobicContact CZ-SD 3.65Å; I93-M119 HydrophobicContact CG2-CE 4.14Å; I93-M119 HydrophobicContact CG2-SD 3.93Å; V94-M119 HydrophobicContact CB-CE 4.19Å; V94-M119 HydrophobicContact CG1-CE 4.32Å; V94-M119 HydrophobicContact CG2-CE 3.86Å; V94-M119 HydrophobicContact CG2-CG 4.05Å; V94-M119 HydrophobicContact CG2-SD 3.78Å; C97-M119 HydrophobicContact CB-CE 4.32Å; I115-M119 WeakPolarHBondContact O-CB 3.39Å; I115-M119 PolarHBondContact O-N 3.19Å; H116-M119 PolarHBondContact O-N 3.39Å; M119-G121 VanDerWaalsContact C-N 3.32Å; M119-G121 PolarHBondContact O-N 2.79Å; M119-F122 PolarHBondContact O-N 2.88Å; M119-F122 VanDerWaalsContact O-N 3.17Å; M119-V123 HydrophobicContact CG-CG2 4.03Å; M119-V123 WeakPolarHBondContact O-CB 3.41Å; M119-V123 WeakPolarHBondContact O-CG2 3.32Å; M119-V123 PolarHBondContact O-N 2.82Å
120	K	87.4	Confident	89.7	Confident	16 Å²	16	31 Å²	31	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-40.3	173.7	-75.4	-179.2	59.2	166.2	0	112.4	V94 D102 H116 L117 T118 F122	V94-K120 HydrophobicContact CG1-CG 4.22Å; D102-K120 IonicContact OD2-NZ 3.74Å; D102-K120 PolarHBondContact OD2-NZ 3.5Å; H116-K120 VanDerWaalsContact CE1-CD 3.47Å; H116-K120 WeakPolarHBondContact CE1-CD 3.2Å; H116-K120 PolarHBondContact O-N 2.82Å; L117-K120 PolarHBondContact O-N 2.81Å; T118-K120 PolarHBondContact O-N 3.07Å; K120-F122 VanDerWaalsContact C-N 3.29Å; K120-F122 PolarHBondContact O-N 3.5Å
121	G	84.3	Confident	89.9	Confident	8 Å²	8	28.6 Å²	28.6	8%	0.082	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-28.1	175	0	0	0	0	0	114.2	L117 T118 M119 P125 M173	L117-G121 PolarHBondContact O-N 3.21Å; T118-G121 CarbonylContact O-C 3.58Å; T118-G121 PolarHBondContact O-N 2.81Å; T118-G121 VanDerWaalsContact O-N 3.14Å; M119-G121 VanDerWaalsContact C-N 3.32Å; M119-G121 PolarHBondContact O-N 2.79Å; G121-P125 WeakPolarHBondContact O-CD 3.11Å; G121-P125 WeakPolarHBondContact O-CG 3.48Å; G121-M173 WeakPolarHBondContact CA-SD 3.26Å
122	F	87.2	Confident	90	Very high	36 Å²	36	22.9 Å²	22.9	16%	0.158	12%	0.118	C	C	.	.	H	α-helix	trans	-91.3	-40.1	-173.5	174.1	-128.8	0	0	0	114.3	T118 M119 K120 V124 P125 I126 L163 L167 A170	T118-F122 VanDerWaalsContact O-CB 3.27Å; T118-F122 WeakPolarHBondContact O-CB 3.25Å; T118-F122 PolarHBondContact O-N 3.41Å; M119-F122 PolarHBondContact O-N 2.88Å; M119-F122 VanDerWaalsContact O-N 3.17Å; K120-F122 VanDerWaalsContact C-N 3.29Å; K120-F122 PolarHBondContact O-N 3.5Å; F122-V124 VanDerWaalsContact C-N 3.29Å; F122-V124 PolarHBondContact O-N 3.43Å; F122-P125 VanDerWaalsContact O-CD 3.26Å; F122-P125 WeakPolarHBondContact O-CD 3.39Å; F122-I126 HydrophobicContact CD1-CD1 3.48Å; F122-I126 VanDerWaalsContact CD1-CD1 3.48Å; F122-I126 HydrophobicContact CD2-CD1 3.58Å; F122-I126 HydrophobicContact CD2-CG1 3.8Å; F122-I126 HydrophobicContact CE1-CD1 3.17Å; F122-I126 HydrophobicContact CE1-CG1 4.26Å; F122-I126 HydrophobicContact CE2-CD1 3.27Å; F122-I126 HydrophobicContact CE2-CG1 3.43Å; F122-I126 VanDerWaalsContact CE2-CG1 3.43Å; F122-I126 HydrophobicContact CG-CD1 3.7Å; F122-I126 HydrophobicContact CG-CG1 4.38Å; F122-I126 HydrophobicContact CZ-CD1 3.09Å; F122-I126 HydrophobicContact CZ-CG1 3.73Å; F122-I126 VanDerWaalsContact O-CD1 3.32Å; F122-I126 WeakPolarHBondContact O-CD1 3.49Å; F122-I126 VanDerWaalsContact O-CG1 3.22Å; F122-I126 WeakPolarHBondContact O-CG1 3.27Å; F122-I126 PolarHBondContact O-N 3.36Å; F122-L163 HydrophobicContact CE1-CD2 4.3Å; F122-L163 HydrophobicContact CE2-CD2 4.36Å; F122-L163 WeakPolarHBondContact CE2-O 3.32Å; F122-L163 HydrophobicContact CZ-CB 4.19Å; F122-L163 HydrophobicContact CZ-CD2 3.58Å; F122-L163 WeakPolarHBondContact CZ-O 3.3Å; F122-L167 HydrophobicContact CD2-CB 4.32Å; F122-L167 VanDerWaalsContact CD2-N 3.28Å; F122-L167 HydrophobicContact CE2-CB 4.07Å; F122-L167 HydrophobicContact CZ-CB 4.36Å; F122-A170 HydrophobicContact CB-CB 3.74Å
123	V	86.2	Confident	90.1	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-36.9	-173.5	161.2	0	0	0	0	112.6	F89 I90 V94 M119 S127	F89-V123 HydrophobicContact CD1-CG2 4.42Å; F89-V123 HydrophobicContact CE1-CG2 4.09Å; I90-V123 HydrophobicContact CD1-CG1 3.34Å; I90-V123 HydrophobicContact CG1-CG1 3.44Å; I90-V123 VanDerWaalsContact CG1-CG1 3.44Å; V94-V123 HydrophobicContact CG2-CG2 4.03Å; M119-V123 HydrophobicContact CG-CG2 4.03Å; M119-V123 WeakPolarHBondContact O-CB 3.41Å; M119-V123 WeakPolarHBondContact O-CG2 3.32Å; M119-V123 PolarHBondContact O-N 2.82Å; V123-S127 PolarHBondContact O-N 2.87Å; V123-S127 PolarHBondContact O-OG 2.93Å
124	V	81.2	Confident	90.2	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-72.9	-49	-174.9	-168.7	0	0	0	0	111.8	F122 I126 S127 A128 F240 F489 Y493	F122-V124 VanDerWaalsContact C-N 3.29Å; F122-V124 PolarHBondContact O-N 3.43Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 3.27Å; V124-S127 WeakPolarHBondContact O-CB 3.32Å; V124-S127 PolarHBondContact O-N 3.21Å; V124-A128 PolarHBondContact O-N 2.96Å; V124-F240 HydrophobicContact CB-CE1 4.23Å; V124-F240 HydrophobicContact CB-CZ 3.62Å; V124-F240 HydrophobicContact CG1-CE1 3.48Å; V124-F240 VanDerWaalsContact CG1-CE1 3.48Å; V124-F240 HydrophobicContact CG1-CE2 4.3Å; V124-F240 HydrophobicContact CG1-CZ 3.3Å; V124-F489 HydrophobicContact CG1-CZ 4.2Å; V124-Y493 HydrophobicContact CB-CD1 4.47Å; V124-Y493 HydrophobicContact CB-CE1 3.87Å; V124-Y493 HydrophobicContact CG1-CD1 3.35Å; V124-Y493 HydrophobicContact CG1-CE1 3.11Å; V124-Y493 HydrophobicContact CG1-CG 4.17Å; V124-Y493 HydrophobicContact CG2-CD1 4.29Å; V124-Y493 HydrophobicContact CG2-CE1 3.42Å; V124-Y493 VanDerWaalsContact CG2-CE1 3.42Å
125	P	84.5	Confident	90.2	Very high	14 Å²	14	19 Å²	19	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-40	176	-27.1	35.2	0	0	0	113	G121 F122 S127 A128 C129 F240	G121-P125 WeakPolarHBondContact O-CD 3.11Å; G121-P125 WeakPolarHBondContact O-CG 3.48Å; F122-P125 VanDerWaalsContact O-CD 3.26Å; F122-P125 WeakPolarHBondContact O-CD 3.39Å; P125-S127 VanDerWaalsContact C-N 3.33Å; P125-S127 PolarHBondContact O-N 2.88Å; P125-A128 PolarHBondContact O-N 2.93Å; P125-C129 WeakPolarHBondContact O-CB 3.45Å; P125-C129 PolarHBondContact O-N 3.02Å; P125-C129 PolarHBondContact O-SG 2.9Å; P125-F240 HydrophobicContact CB-CZ 4.21Å; P125-F240 HydrophobicContact CG-CE2 3.98Å; P125-F240 HydrophobicContact CG-CZ 3.59Å
126	I	88.2	Confident	90.1	Very high	11 Å²	11	17.2 Å²	17.2	6%	0.056	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-48.8	176.1	-61.9	161	0	0	0	110.7	F122 V124 A128 C129 I130 L163	F122-I126 HydrophobicContact CD1-CD1 3.48Å; F122-I126 VanDerWaalsContact CD1-CD1 3.48Å; F122-I126 HydrophobicContact CD2-CD1 3.58Å; F122-I126 HydrophobicContact CD2-CG1 3.8Å; F122-I126 HydrophobicContact CE1-CD1 3.17Å; F122-I126 HydrophobicContact CE1-CG1 4.26Å; F122-I126 HydrophobicContact CE2-CD1 3.27Å; F122-I126 HydrophobicContact CE2-CG1 3.43Å; F122-I126 VanDerWaalsContact CE2-CG1 3.43Å; F122-I126 HydrophobicContact CG-CD1 3.7Å; F122-I126 HydrophobicContact CG-CG1 4.38Å; F122-I126 HydrophobicContact CZ-CD1 3.09Å; F122-I126 HydrophobicContact CZ-CG1 3.73Å; F122-I126 VanDerWaalsContact O-CD1 3.32Å; F122-I126 WeakPolarHBondContact O-CD1 3.49Å; F122-I126 VanDerWaalsContact O-CG1 3.22Å; F122-I126 WeakPolarHBondContact O-CG1 3.27Å; F122-I126 PolarHBondContact O-N 3.36Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 3.27Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.43Å; I126-C129 PolarHBondContact O-N 2.91Å; I126-I130 HydrophobicContact CG2-CD1 3.71Å; I126-I130 HydrophobicContact CG2-CG1 4.26Å; I126-I130 VanDerWaalsContact O-CG1 3.31Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.37Å; I126-L163 HydrophobicContact CD1-CD2 3.73Å; I126-L163 HydrophobicContact CG1-CD2 3.96Å; I126-L163 HydrophobicContact CG2-CD2 4.07Å
127	S	91	Very high	90	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-43.3	-179.1	-56.3	0	0	0	0	111	N86 V123 V124 P125 I130 L131 F489	N86-S127 PolarHBondContact ND2-OG 3.4Å; V123-S127 PolarHBondContact O-N 2.87Å; V123-S127 PolarHBondContact O-OG 2.93Å; V124-S127 WeakPolarHBondContact O-CB 3.32Å; V124-S127 PolarHBondContact O-N 3.21Å; P125-S127 VanDerWaalsContact C-N 3.33Å; P125-S127 PolarHBondContact O-N 2.88Å; S127-I130 PolarHBondContact O-N 3.34Å; S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.17Å; S127-L131 VanDerWaalsContact O-N 3.11Å; S127-F489 VanDerWaalsContact CB-CE2 3.45Å
128	A	91.3	Very high	90.1	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-45	176.2	0	0	0	0	0	112.5	V124 P125 I126 L131 M132 F240 L243 F489	V124-A128 PolarHBondContact O-N 2.96Å; P125-A128 PolarHBondContact O-N 2.93Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.43Å; A128-L131 PolarHBondContact O-N 2.83Å; A128-M132 PolarHBondContact O-N 3.3Å; A128-F240 HydrophobicContact CB-CD1 4.32Å; A128-F240 HydrophobicContact CB-CE1 3.95Å; A128-L243 HydrophobicContact CB-CB 4.36Å; A128-L243 HydrophobicContact CB-CD1 3.84Å; A128-F489 HydrophobicContact CB-CE1 3.56Å; A128-F489 HydrophobicContact CB-CZ 3.75Å
129	C	92	Very high	90	Very high	27 Å²	27	16.5 Å²	16.5	18%	0.182	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-39.4	178.3	-70.3	0	0	0	0	112.2	P125 I126 L131 M132 L133 I162	P125-C129 WeakPolarHBondContact O-CB 3.45Å; P125-C129 PolarHBondContact O-N 3.02Å; P125-C129 PolarHBondContact O-SG 2.9Å; I126-C129 PolarHBondContact O-N 2.91Å; C129-L131 VanDerWaalsContact C-N 3.33Å; C129-L131 PolarHBondContact O-N 2.91Å; C129-M132 PolarHBondContact O-N 3.43Å; C129-L133 WeakPolarHBondContact O-CG 3.48Å; C129-L133 PolarHBondContact O-N 3.05Å; C129-I162 HydrophobicContact CB-CB 4.42Å; C129-I162 HydrophobicContact CB-CD1 3.82Å; C129-I162 HydrophobicContact CB-CG1 4.03Å; C129-I162 HydrophobicContact CB-CG2 3.49Å; C129-I162 VanDerWaalsContact CB-CG2 3.49Å
130	I	93.1	Very high	89.9	Confident	8 Å²	8	17 Å²	17	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-45.3	172.7	-69.5	170.1	0	0	0	110.2	L83 I126 S127 M132 L133 I134 L159	L83-I130 HydrophobicContact CD1-CG2 4.37Å; I126-I130 HydrophobicContact CG2-CD1 3.71Å; I126-I130 HydrophobicContact CG2-CG1 4.26Å; I126-I130 VanDerWaalsContact O-CG1 3.31Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.37Å; S127-I130 PolarHBondContact O-N 3.34Å; I130-M132 VanDerWaalsContact C-N 3.32Å; I130-M132 PolarHBondContact O-N 2.79Å; I130-L133 PolarHBondContact O-N 3.48Å; I130-I134 HydrophobicContact CG2-CD1 3.92Å; I130-I134 VanDerWaalsContact O-CG1 3.27Å; I130-I134 WeakPolarHBondContact O-CG1 3.2Å; I130-I134 PolarHBondContact O-N 3.24Å; I130-L159 HydrophobicContact CD1-CD2 4.46Å; I130-L159 HydrophobicContact CG1-CD2 3.78Å
131	L	93.7	Very high	89.8	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-35.7	178.2	-70.3	170	0	0	0	112.7	L83 S127 A128 C129 I134 A135 V485 F489	L83-L131 HydrophobicContact CD2-CD2 4.25Å; S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.17Å; S127-L131 VanDerWaalsContact O-N 3.11Å; A128-L131 PolarHBondContact O-N 2.83Å; C129-L131 VanDerWaalsContact C-N 3.33Å; C129-L131 PolarHBondContact O-N 2.91Å; L131-I134 HydrophobicContact CD2-CD1 4.4Å; L131-I134 PolarHBondContact O-N 3.01Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.23Å; L131-V485 HydrophobicContact CD2-CG1 3.89Å; L131-F489 HydrophobicContact CD1-CB 3.42Å; L131-F489 VanDerWaalsContact CD1-CB 3.42Å; L131-F489 HydrophobicContact CD1-CD1 3.43Å; L131-F489 VanDerWaalsContact CD1-CD1 3.43Å; L131-F489 HydrophobicContact CD1-CD2 3.83Å; L131-F489 HydrophobicContact CD1-CE1 4.04Å; L131-F489 HydrophobicContact CD1-CE2 4.44Å; L131-F489 HydrophobicContact CD1-CG 3.28Å
132	M	93.7	Very high	89.9	Confident	42 Å²	42	17.4 Å²	17.4	21%	0.207	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-45	172.9	-171.9	62.5	-158.2	0	0	111.9	A128 C129 I130 I134 A135 M136 T247 V250	A128-M132 PolarHBondContact O-N 3.3Å; C129-M132 PolarHBondContact O-N 3.43Å; I130-M132 VanDerWaalsContact C-N 3.32Å; I130-M132 PolarHBondContact O-N 2.79Å; M132-I134 VanDerWaalsContact C-N 3.28Å; M132-I134 PolarHBondContact O-N 3.45Å; M132-A135 WeakPolarHBondContact O-CB 3.44Å; M132-A135 PolarHBondContact O-N 3.09Å; M132-A135 VanDerWaalsContact O-N 3.16Å; M132-M136 HydrophobicContact CE-CG 3.73Å; M132-M136 HydrophobicContact CE-SD 3.62Å; M132-M136 WeakPolarHBondContact O-CG 3.27Å; M132-M136 PolarHBondContact O-N 3.48Å; M132-T247 HydrophobicContact CB-CG2 3.86Å; M132-T247 HydrophobicContact CG-CG2 4.38Å; M132-T247 HydrophobicContact SD-CG2 3.63Å; M132-V250 HydrophobicContact CE-CG2 3.65Å
133	L	93.5	Very high	89.7	Confident	26 Å²	26	16.4 Å²	16.4	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-60.2	-40	174.9	-72.3	176.7	0	0	0	112	F79 C129 I130 M136 E137 S158 L159 I162	F79-L133 HydrophobicContact CE1-CB 3.84Å; F79-L133 HydrophobicContact CZ-CB 4.28Å; C129-L133 WeakPolarHBondContact O-CG 3.48Å; C129-L133 PolarHBondContact O-N 3.05Å; I130-L133 PolarHBondContact O-N 3.48Å; L133-M136 PolarHBondContact O-N 3.05Å; L133-E137 PolarHBondContact O-N 2.99Å; L133-S158 WeakPolarHBondContact CD2-OG 3.25Å; L133-L159 HydrophobicContact CD1-CD2 4Å; L133-L159 HydrophobicContact CD1-CG 4.35Å; L133-I162 HydrophobicContact CD1-CD1 3.54Å; L133-I162 HydrophobicContact CG-CD1 4.18Å
134	I	93.9	Very high	89.3	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-47.7	174	-69	168.9	0	0	0	110.5	F79 I130 L131 M132 M136 E137 R138 L482	F79-I134 HydrophobicContact CB-CD1 4.03Å; F79-I134 HydrophobicContact CB-CG1 3.7Å; F79-I134 HydrophobicContact CD1-CD1 4.46Å; F79-I134 HydrophobicContact CD1-CG1 3.66Å; F79-I134 HydrophobicContact CD2-CG1 4.5Å; F79-I134 HydrophobicContact CE1-CG1 4.4Å; F79-I134 HydrophobicContact CG-CG1 3.72Å; I130-I134 HydrophobicContact CG2-CD1 3.92Å; I130-I134 VanDerWaalsContact O-CG1 3.27Å; I130-I134 WeakPolarHBondContact O-CG1 3.2Å; I130-I134 PolarHBondContact O-N 3.24Å; L131-I134 HydrophobicContact CD2-CD1 4.4Å; L131-I134 PolarHBondContact O-N 3.01Å; M132-I134 VanDerWaalsContact C-N 3.28Å; M132-I134 PolarHBondContact O-N 3.45Å; I134-M136 VanDerWaalsContact C-N 3.31Å; I134-M136 PolarHBondContact O-N 2.93Å; I134-E137 PolarHBondContact O-N 3.2Å; I134-R138 WeakPolarHBondContact O-CG 3.34Å; I134-R138 PolarHBondContact O-N 3.25Å; I134-L482 HydrophobicContact CG2-CB 4.05Å; I134-L482 HydrophobicContact CG2-CD1 3.7Å; I134-L482 HydrophobicContact CG2-CD2 4.2Å; I134-L482 HydrophobicContact CG2-CG 4.19Å
135	A	94.1	Very high	88.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-43.5	178.6	0	0	0	0	0	111.2	L131 M132 R138 F139 V250 Y251	L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.23Å; M132-A135 WeakPolarHBondContact O-CB 3.44Å; M132-A135 PolarHBondContact O-N 3.09Å; M132-A135 VanDerWaalsContact O-N 3.16Å; A135-R138 PolarHBondContact O-N 3.47Å; A135-F139 WeakPolarHBondContact O-CB 3.26Å; A135-F139 PolarHBondContact O-N 3.41Å; A135-V250 HydrophobicContact CB-CB 4.17Å; A135-V250 HydrophobicContact CB-CG1 3.81Å; A135-V250 WeakPolarHBondContact O-CG1 3.3Å; A135-Y251 HydrophobicContact CB-CD2 4.15Å; A135-Y251 HydrophobicContact CB-CE2 3.66Å
136	M	91.3	Very high	87.3	Confident	63 Å²	63	26.7 Å²	26.7	31%	0.31	14%	0.141	S	C	.	.	H	α-helix	trans	-63.3	-44.9	175.9	-69.8	-58.1	-68.5	0	0	112.7	M132 L133 I134 R138 F139 L140 M150 V250	M132-M136 HydrophobicContact CE-CG 3.73Å; M132-M136 HydrophobicContact CE-SD 3.62Å; M132-M136 WeakPolarHBondContact O-CG 3.27Å; M132-M136 PolarHBondContact O-N 3.48Å; L133-M136 PolarHBondContact O-N 3.05Å; I134-M136 VanDerWaalsContact C-N 3.31Å; I134-M136 PolarHBondContact O-N 2.93Å; M136-R138 VanDerWaalsContact C-N 3.27Å; M136-R138 PolarHBondContact O-N 3.18Å; M136-F139 PolarHBondContact O-N 3.37Å; M136-L140 WeakPolarHBondContact O-CG 3.3Å; M136-L140 PolarHBondContact O-N 3.31Å; M136-M150 HydrophobicContact CB-CE 3.96Å; M136-V250 HydrophobicContact SD-CG2 4.02Å
137	E	91	Very high	86	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-54.8	-46.1	173.7	-176	-145.3	-177.5	0	0	110.3	I75 S76 F79 L133 I134 L140 L141	I75-E137 HydrophobicContact CG2-CG 4.38Å; I75-E137 WeakPolarHBondContact CG2-OE1 3.46Å; S76-E137 PolarHBondContact N-OE1 3.48Å; S76-E137 PolarHBondContact OG-OE1 2.88Å; F79-E137 HydrophobicContact CD2-CG 4.34Å; F79-E137 WeakPolarHBondContact CD2-OE2 3.46Å; F79-E137 HydrophobicContact CE2-CB 3.87Å; F79-E137 HydrophobicContact CE2-CG 3.83Å; F79-E137 HydrophobicContact CZ-CB 4.47Å; L133-E137 PolarHBondContact O-N 2.99Å; I134-E137 PolarHBondContact O-N 3.2Å; E137-L140 PolarHBondContact O-N 3.41Å; E137-L141 HydrophobicContact CG-CD1 3.88Å; E137-L141 HydrophobicContact CG-CG 4.49Å; E137-L141 WeakPolarHBondContact O-CB 3.33Å; E137-L141 VanDerWaalsContact O-CG 3.24Å; E137-L141 WeakPolarHBondContact O-CG 3.38Å; E137-L141 PolarHBondContact O-N 2.81Å
138	R	91.5	Very high	85	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-40.6	179.1	-62.4	-60.3	154	-157.1	-10.7	112.4	S76 I134 A135 M136 L141 I142 I254 A479 L482	S76-R138 VanDerWaalsContact OG-CZ 3.25Å; S76-R138 PolarHBondContact OG-NH1 2.98Å; S76-R138 PolarHBondContact OG-NH2 2.95Å; I134-R138 WeakPolarHBondContact O-CG 3.34Å; I134-R138 PolarHBondContact O-N 3.25Å; A135-R138 PolarHBondContact O-N 3.47Å; M136-R138 VanDerWaalsContact C-N 3.27Å; M136-R138 PolarHBondContact O-N 3.18Å; R138-L141 PolarHBondContact O-N 3.29Å; R138-I142 HydrophobicContact CB-CD1 4.43Å; R138-I142 VanDerWaalsContact O-CB 3.27Å; R138-I142 WeakPolarHBondContact O-CB 3.4Å; R138-I142 VanDerWaalsContact O-CG1 3.3Å; R138-I142 WeakPolarHBondContact O-CG1 3.32Å; R138-I142 PolarHBondContact O-N 2.84Å; R138-I254 HydrophobicContact CB-CD1 3.71Å; R138-A479 HydrophobicContact CB-CB 4.25Å; R138-A479 HydrophobicContact CG-CB 4.11Å; R138-L482 HydrophobicContact CG-CD1 4.33Å
139	F	90.3	Very high	84.3	Confident	47 Å²	47	39 Å²	39	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-47.4	177.2	-179.3	-110.2	0	0	0	111.2	A135 M136 L141 I142 C143 F144 V250 L253 I254	A135-F139 WeakPolarHBondContact O-CB 3.26Å; A135-F139 PolarHBondContact O-N 3.41Å; M136-F139 PolarHBondContact O-N 3.37Å; F139-L141 PolarHBondContact O-N 2.89Å; F139-I142 PolarHBondContact O-N 3.44Å; F139-C143 HydrophobicContact CD2-CB 4.02Å; F139-C143 VanDerWaalsContact CD2-SG 3.5Å; F139-C143 HydrophobicContact CE2-CB 3.86Å; F139-C143 HydrophobicContact CZ-CB 4.4Å; F139-C143 VanDerWaalsContact O-CB 3.28Å; F139-C143 WeakPolarHBondContact O-CB 3.5Å; F139-C143 PolarHBondContact O-N 3.28Å; F139-F144 HydrophobicContact CD1-CE2 4.12Å; F139-F144 HydrophobicContact CE1-CD2 4.4Å; F139-F144 AromaticContact CE1-CE2 3.55Å; F139-F144 HydrophobicContact CE1-CE2 3.55Å; F139-F144 HydrophobicContact CE1-CZ 4.42Å; F139-F144 HydrophobicContact CZ-CE2 4.07Å; F139-V250 HydrophobicContact CB-CG1 3.73Å; F139-V250 HydrophobicContact CD2-CG1 4.49Å; F139-V250 HydrophobicContact CG-CG1 4.23Å; F139-L253 HydrophobicContact CD2-CB 4.5Å; F139-L253 HydrophobicContact CE2-CB 4.13Å; F139-L253 HydrophobicContact CE2-CD1 4.37Å; F139-I254 HydrophobicContact CB-CD1 4.11Å; F139-I254 HydrophobicContact CB-CG1 4.17Å; F139-I254 HydrophobicContact CD2-CG1 4.03Å
140	L	88.2	Confident	83.8	Confident	34 Å²	34	39.5 Å²	39.5	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-44.3	176.2	-66.7	176.2	0	0	0	112.3	M136 E137 I142 F144 M150	M136-L140 WeakPolarHBondContact O-CG 3.3Å; M136-L140 PolarHBondContact O-N 3.31Å; E137-L140 PolarHBondContact O-N 3.41Å; L140-I142 PolarHBondContact O-N 3.4Å; L140-F144 HydrophobicContact CD2-CD2 3.99Å; L140-F144 HydrophobicContact CD2-CE2 4.18Å; L140-F144 WeakPolarHBondContact O-CB 3.49Å; L140-F144 PolarHBondContact O-N 2.77Å; L140-M150 HydrophobicContact CD1-CE 3.68Å; L140-M150 HydrophobicContact CD1-CG 4.02Å
141	L	85.6	Confident	83.4	Confident	22 Å²	22	45 Å²	45	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-70.8	-30.5	-178.5	-73	173.9	0	0	0	114.3	E137 R138 F139 Q149	E137-L141 HydrophobicContact CG-CD1 3.88Å; E137-L141 HydrophobicContact CG-CG 4.49Å; E137-L141 WeakPolarHBondContact O-CB 3.33Å; E137-L141 VanDerWaalsContact O-CG 3.24Å; E137-L141 WeakPolarHBondContact O-CG 3.38Å; E137-L141 PolarHBondContact O-N 2.81Å; R138-L141 PolarHBondContact O-N 3.29Å; F139-L141 PolarHBondContact O-N 2.89Å; L141-Q149 HydrophobicContact CD2-CG 3.7Å
142	I	85.7	Confident	83	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-98.9	-45.1	-172.5	-64.7	171.8	0	0	0	111.4	R138 F139 L140 I254 F257 V258 H475 A479	R138-I142 HydrophobicContact CB-CD1 4.43Å; R138-I142 VanDerWaalsContact O-CB 3.27Å; R138-I142 WeakPolarHBondContact O-CB 3.4Å; R138-I142 VanDerWaalsContact O-CG1 3.3Å; R138-I142 WeakPolarHBondContact O-CG1 3.32Å; R138-I142 PolarHBondContact O-N 2.84Å; F139-I142 PolarHBondContact O-N 3.44Å; L140-I142 PolarHBondContact O-N 3.4Å; I142-I254 HydrophobicContact CD1-CG2 3.92Å; I142-I254 HydrophobicContact CG2-CG2 4.34Å; I142-F257 HydrophobicContact CG2-CD1 4Å; I142-F257 HydrophobicContact CG2-CE1 4.24Å; I142-F257 WeakPolarHBondContact O-CE1 3.22Å; I142-V258 HydrophobicContact CG2-CG2 3.9Å; I142-H475 HydrophobicContact CG1-CB 4.43Å; I142-A479 HydrophobicContact CD1-CB 3.46Å; I142-A479 VanDerWaalsContact CD1-CB 3.46Å
143	C	83.8	Confident	82.7	Confident	16 Å²	16	52 Å²	52	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-89	-25.6	-172.6	-55.5	0	0	0	0	112.8	F139 F257	F139-C143 HydrophobicContact CD2-CB 4.02Å; F139-C143 VanDerWaalsContact CD2-SG 3.5Å; F139-C143 HydrophobicContact CE2-CB 3.86Å; F139-C143 HydrophobicContact CZ-CB 4.4Å; F139-C143 VanDerWaalsContact O-CB 3.28Å; F139-C143 WeakPolarHBondContact O-CB 3.5Å; F139-C143 PolarHBondContact O-N 3.28Å; C143-F257 HydrophobicContact CB-CD1 4.29Å; C143-F257 HydrophobicContact CB-CD2 4.48Å; C143-F257 HydrophobicContact CB-CE1 4.5Å; C143-F257 HydrophobicContact CB-CG 4.29Å
144	F	76.9	Confident	82.5	Confident	79 Å²	79	55.8 Å²	55.8	35%	0.346	30%	0.295	S	S	.	.	S	Bend	trans	-101.7	165.8	174.8	-68.1	-90	0	0	0	111.9	F139 L140	F139-F144 HydrophobicContact CD1-CE2 4.12Å; F139-F144 HydrophobicContact CE1-CD2 4.4Å; F139-F144 AromaticContact CE1-CE2 3.55Å; F139-F144 HydrophobicContact CE1-CE2 3.55Å; F139-F144 HydrophobicContact CE1-CZ 4.42Å; F139-F144 HydrophobicContact CZ-CE2 4.07Å; L140-F144 HydrophobicContact CD2-CD2 3.99Å; L140-F144 HydrophobicContact CD2-CE2 4.18Å; L140-F144 WeakPolarHBondContact O-CB 3.49Å; L140-F144 PolarHBondContact O-N 2.77Å
145	I	61.4	Low	82.2	Confident	73 Å²	73	55.9 Å²	55.9	37%	0.374	30%	0.295	S	S	.	.			trans	-51.7	128.4	-179.8	-54.6	170.2	0	0	0	109.3	G147 I148 N386	I145-G147 PolarHBondContact O-N 3.28Å; I145-I148 PolarHBondContact O-N 3.49Å; I145-N386 WeakPolarHBondContact CD1-OD1 3.22Å; I145-N386 WeakPolarHBondContact CG1-OD1 3.31Å
146	P	62.3	Low	81.9	Confident	89 Å²	89	60 Å²	60	58%	0.578	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	105.7	178.1	22.9	-32.2	0	0	0	109.8
147	G	62.3	Low	81.9	Confident	65 Å²	65	62.3 Å²	62.3	67%	0.67	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	160.1	-30.5	-175.2	0	0	0	0	0	112.9	I145 Q149	I145-G147 PolarHBondContact O-N 3.28Å; G147-Q149 PolarHBondContact O-N 2.93Å
148	I	70.3	Confident	81.9	Confident	95 Å²	95	63.7 Å²	63.7	49%	0.487	34%	0.343	S	S	.	.			trans	-81.9	101.5	172.2	-54.8	175.6	0	0	0	108.2	I145	I145-I148 PolarHBondContact O-N 3.49Å
149	Q	75.7	Confident	81.8	Confident	111 Å²	111	64.6 Å²	64.6	52%	0.519	35%	0.348	S	S	.	.			trans	-117.6	140	171.1	-52.2	-163.3	-41.4	0	0	108.7	I75 L141 G147 Q151	I75-Q149 HydrophobicContact CD1-CB 3.88Å; L141-Q149 HydrophobicContact CD2-CG 3.7Å; G147-Q149 PolarHBondContact O-N 2.93Å; Q149-Q151 PolarHBondContact O-N 3.35Å
150	M	80.9	Confident	81.9	Confident	39 Å²	39	64.1 Å²	64.1	19%	0.192	35%	0.353	C	S	.	.			trans	-61.9	126.4	170.5	-69.8	-175.4	172.8	0	0	109	I75 M136 L140 I155	I75-M150 WeakPolarHBondContact CD1-O 3.41Å; M136-M150 HydrophobicContact CB-CE 3.96Å; L140-M150 HydrophobicContact CD1-CE 3.68Å; L140-M150 HydrophobicContact CD1-CG 4.02Å; M150-I155 HydrophobicContact CB-CD1 4.01Å; M150-I155 HydrophobicContact CB-CG1 3.93Å
151	Q	84.9	Confident	82	Confident	123 Å²	123	66.5 Å²	66.5	58%	0.575	37%	0.365	S	S	*	.			trans	-67.4	150.9	176.7	-66.9	-175.2	-7.4	0	0	110.1	Q149 T153 Q154 I155	Q149-Q151 PolarHBondContact O-N 3.35Å; Q151-T153 PolarHBondContact O-N 3.39Å; Q151-Q154 HydrophobicContact CB-CG 4.22Å; Q151-Q154 WeakPolarHBondContact O-CB 3.34Å; Q151-Q154 PolarHBondContact O-N 3.28Å; Q151-Q154 VanDerWaalsContact O-N 3.09Å; Q151-I155 PolarHBondContact O-N 3.49Å; Q151-I155 VanDerWaalsContact O-N 3.13Å
152	R	85.8	Confident	82.3	Confident	98 Å²	98	66.8 Å²	66.8	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-39.1	178.7	-72.3	177.1	162.7	-156.7	-23.5	112.6	V70 G73 I75 I155 V156	V70-R152 PolarHBondContact O-NH2 2.83Å; G73-R152 PolarHBondContact O-NE 3.4Å; G73-R152 PolarHBondContact O-NH2 2.86Å; I75-R152 HydrophobicContact CG1-CG 4.42Å; R152-I155 PolarHBondContact O-N 2.79Å; R152-V156 WeakPolarHBondContact O-CG2 3.22Å; R152-V156 PolarHBondContact O-N 3.48Å
153	T	87.4	Confident	82.4	Confident	95 Å²	95	70 Å²	70	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-59.8	-45.6	176.6	46.7	0	0	0	0	111.7	Q151 I155 V156 L157	Q151-T153 PolarHBondContact O-N 3.39Å; T153-I155 VanDerWaalsContact C-N 3.34Å; T153-I155 PolarHBondContact O-N 3.23Å; T153-V156 PolarHBondContact O-N 2.81Å; T153-L157 VanDerWaalsContact O-CB 3.28Å; T153-L157 WeakPolarHBondContact O-CB 3.42Å; T153-L157 PolarHBondContact O-N 2.96Å
154	Q	89.3	Confident	82.7	Confident	106 Å²	106	78.3 Å²	78.3	50%	0.495	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.7	-65.4	173.6	-20.6	0	0	111.8	Q151 S158	Q151-Q154 HydrophobicContact CB-CG 4.22Å; Q151-Q154 WeakPolarHBondContact O-CB 3.34Å; Q151-Q154 PolarHBondContact O-N 3.28Å; Q151-Q154 VanDerWaalsContact O-N 3.09Å; Q154-S158 VanDerWaalsContact O-CB 3.25Å; Q154-S158 WeakPolarHBondContact O-CB 3.5Å; Q154-S158 PolarHBondContact O-N 2.9Å
155	I	87.3	Confident	83.3	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-48.4	177.9	-63.7	167.5	0	0	0	110.6	I75 L78 F79 M150 Q151 R152 T153 L157 S158 L159	I75-I155 HydrophobicContact CG2-CD1 3.32Å; L78-I155 HydrophobicContact CD2-CG2 4.48Å; F79-I155 HydrophobicContact CE1-CG2 3.76Å; F79-I155 HydrophobicContact CE2-CD1 3.68Å; F79-I155 HydrophobicContact CE2-CG1 4.37Å; F79-I155 HydrophobicContact CZ-CB 4.47Å; F79-I155 HydrophobicContact CZ-CD1 3.66Å; F79-I155 HydrophobicContact CZ-CG1 3.84Å; F79-I155 HydrophobicContact CZ-CG2 3.79Å; M150-I155 HydrophobicContact CB-CD1 4.01Å; M150-I155 HydrophobicContact CB-CG1 3.93Å; Q151-I155 PolarHBondContact O-N 3.49Å; Q151-I155 VanDerWaalsContact O-N 3.13Å; R152-I155 PolarHBondContact O-N 2.79Å; T153-I155 VanDerWaalsContact C-N 3.34Å; T153-I155 PolarHBondContact O-N 3.23Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 3.27Å; I155-S158 PolarHBondContact O-N 3.29Å; I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 VanDerWaalsContact O-CG 3.25Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.9Å
156	V	88.1	Confident	84.6	Confident	87 Å²	87	76.1 Å²	76.1	53%	0.527	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-42.9	179.2	172.9	0	0	0	0	110.9	R152 T153 L159 A160	R152-V156 WeakPolarHBondContact O-CG2 3.22Å; R152-V156 PolarHBondContact O-N 3.48Å; T153-V156 PolarHBondContact O-N 2.81Å; V156-L159 PolarHBondContact O-N 3.41Å; V156-A160 PolarHBondContact O-N 2.91Å
157	L	92.2	Very high	85.8	Confident	110 Å²	110	75.3 Å²	75.3	58%	0.576	40%	0.397	S	S	*	.	H	α-helix	trans	-62.4	-45.7	175.8	-178.4	63.2	0	0	0	111.6	T153 I155 L159 A160 I161	T153-L157 VanDerWaalsContact O-CB 3.28Å; T153-L157 WeakPolarHBondContact O-CB 3.42Å; T153-L157 PolarHBondContact O-N 2.96Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 3.27Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.16Å; L157-A160 PolarHBondContact O-N 2.93Å; L157-I161 HydrophobicContact CD1-CD1 4.27Å; L157-I161 HydrophobicContact CG-CD1 4Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.45Å
158	S	91	Very high	87.1	Confident	35 Å²	35	78 Å²	78	25%	0.245	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.7	-178	0	0	0	0	111.7	L133 Q154 I155 I161 I162	L133-S158 WeakPolarHBondContact CD2-OG 3.25Å; Q154-S158 VanDerWaalsContact O-CB 3.25Å; Q154-S158 WeakPolarHBondContact O-CB 3.5Å; Q154-S158 PolarHBondContact O-N 2.9Å; I155-S158 PolarHBondContact O-N 3.29Å; S158-I161 PolarHBondContact O-N 3.39Å; S158-I162 WeakPolarHBondContact O-CB 3.48Å; S158-I162 WeakPolarHBondContact O-CD1 3Å; S158-I162 WeakPolarHBondContact O-CG1 3.3Å; S158-I162 PolarHBondContact O-N 2.95Å
159	L	89.3	Confident	87.9	Confident	20 Å²	20	76.2 Å²	76.2	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-42.8	176.1	-69.3	165	0	0	0	112	L82 I130 L133 I155 V156 L157 I161 I162 L163	L82-L159 HydrophobicContact CD1-CD1 3.32Å; L82-L159 HydrophobicContact CD2-CD1 4.04Å; L82-L159 HydrophobicContact CG-CD1 4.31Å; I130-L159 HydrophobicContact CD1-CD2 4.46Å; I130-L159 HydrophobicContact CG1-CD2 3.78Å; L133-L159 HydrophobicContact CD1-CD2 4Å; L133-L159 HydrophobicContact CD1-CG 4.35Å; I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 VanDerWaalsContact O-CG 3.25Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.9Å; V156-L159 PolarHBondContact O-N 3.41Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.16Å; L159-I161 VanDerWaalsContact C-N 3.32Å; L159-I161 PolarHBondContact O-N 3.39Å; L159-I162 PolarHBondContact O-N 3.38Å; L159-L163 WeakPolarHBondContact O-CB 3.5Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.45Å
160	A	90.7	Very high	88.6	Confident	38 Å²	38	71 Å²	71	31%	0.314	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-45.8	175.8	0	0	0	0	0	111.1	V156 L157 L163 W164	V156-A160 PolarHBondContact O-N 2.91Å; L157-A160 PolarHBondContact O-N 2.93Å; A160-L163 PolarHBondContact O-N 2.81Å; A160-W164 PolarHBondContact O-N 2.77Å
161	I	92.1	Very high	89.1	Confident	84 Å²	84	72.5 Å²	72.5	43%	0.431	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-46.4	176.4	-67	165.3	0	0	0	110.8	L157 S158 L159 L163 W164 I165	L157-I161 HydrophobicContact CD1-CD1 4.27Å; L157-I161 HydrophobicContact CG-CD1 4Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.45Å; S158-I161 PolarHBondContact O-N 3.39Å; L159-I161 VanDerWaalsContact C-N 3.32Å; L159-I161 PolarHBondContact O-N 3.39Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.88Å; I161-W164 PolarHBondContact O-N 3.33Å; I161-I165 HydrophobicContact CG2-CD1 3.54Å; I161-I165 HydrophobicContact CG2-CG1 4.26Å; I161-I165 WeakPolarHBondContact O-CB 3.48Å; I161-I165 WeakPolarHBondContact O-CG1 3.23Å; I161-I165 PolarHBondContact O-N 2.94Å
162	I	90.4	Very high	89.3	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.138	36%	0.358	C	S	.	.	H	α-helix	trans	-59	-42.8	177	-72.5	159	0	0	0	111.2	C129 L133 S158 L159 G166	C129-I162 HydrophobicContact CB-CB 4.42Å; C129-I162 HydrophobicContact CB-CD1 3.82Å; C129-I162 HydrophobicContact CB-CG1 4.03Å; C129-I162 HydrophobicContact CB-CG2 3.49Å; C129-I162 VanDerWaalsContact CB-CG2 3.49Å; L133-I162 HydrophobicContact CD1-CD1 3.54Å; L133-I162 HydrophobicContact CG-CD1 4.18Å; S158-I162 WeakPolarHBondContact O-CB 3.48Å; S158-I162 WeakPolarHBondContact O-CD1 3Å; S158-I162 WeakPolarHBondContact O-CG1 3.3Å; S158-I162 PolarHBondContact O-N 2.95Å; L159-I162 PolarHBondContact O-N 3.38Å; I162-G166 WeakPolarHBondContact O-CA 3.37Å; I162-G166 PolarHBondContact O-N 3.26Å
163	L	89.1	Confident	89.4	Confident	78 Å²	78	64 Å²	64	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-44.1	178.9	-69.9	170.4	0	0	0	111.5	F122 I126 L159 A160 I161 L167	F122-L163 HydrophobicContact CE1-CD2 4.3Å; F122-L163 HydrophobicContact CE2-CD2 4.36Å; F122-L163 WeakPolarHBondContact CE2-O 3.32Å; F122-L163 HydrophobicContact CZ-CB 4.19Å; F122-L163 HydrophobicContact CZ-CD2 3.58Å; F122-L163 WeakPolarHBondContact CZ-O 3.3Å; I126-L163 HydrophobicContact CD1-CD2 3.73Å; I126-L163 HydrophobicContact CG1-CD2 3.96Å; I126-L163 HydrophobicContact CG2-CD2 4.07Å; L159-L163 WeakPolarHBondContact O-CB 3.5Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.45Å; A160-L163 PolarHBondContact O-N 2.81Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.88Å; L163-L167 VanDerWaalsContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.03Å
164	W	89.8	Confident	89.6	Confident	190 Å²	190	59.6 Å²	59.6	72%	0.72	32%	0.315	S	S	*	.	H	α-helix	trans	-66.2	-48.6	178.4	-81.3	110.4	0	0	0	112.7	A160 I161 L167 L168	A160-W164 PolarHBondContact O-N 2.77Å; I161-W164 PolarHBondContact O-N 3.33Å; W164-L167 PolarHBondContact O-N 2.64Å; W164-L168 WeakPolarHBondContact O-CB 3.41Å; W164-L168 PolarHBondContact O-N 3.05Å
165	I	89.3	Confident	89.7	Confident	99 Å²	99	57.2 Å²	57.2	51%	0.508	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-44.2	178.1	-65.4	174.2	0	0	0	110.1	I161 L167 L168 C169	I161-I165 HydrophobicContact CG2-CD1 3.54Å; I161-I165 HydrophobicContact CG2-CG1 4.26Å; I161-I165 WeakPolarHBondContact O-CB 3.48Å; I161-I165 WeakPolarHBondContact O-CG1 3.23Å; I161-I165 PolarHBondContact O-N 2.94Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 3.41Å; I165-L168 PolarHBondContact O-N 3.45Å; I165-C169 WeakPolarHBondContact O-CB 3.44Å; I165-C169 PolarHBondContact O-N 3.09Å; I165-C169 PolarHBondContact O-SG 2.89Å
166	G	87.9	Confident	89.7	Confident	8 Å²	8	57.6 Å²	57.6	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.4	178.5	0	0	0	0	0	112.2	I162 C169 A170	I162-G166 WeakPolarHBondContact O-CA 3.37Å; I162-G166 PolarHBondContact O-N 3.26Å; G166-C169 PolarHBondContact O-N 3.45Å; G166-A170 WeakPolarHBondContact O-CB 3.06Å; G166-A170 PolarHBondContact O-N 3.42Å; G166-A170 VanDerWaalsContact O-N 3.08Å
167	L	88.5	Confident	89.8	Confident	72 Å²	72	54 Å²	54	38%	0.377	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-45.9	177.9	-178.2	62.3	0	0	0	110.4	T118 F122 L163 W164 I165 C169 A170 I171	T118-L167 HydrophobicContact CG2-CD1 4.13Å; F122-L167 HydrophobicContact CD2-CB 4.32Å; F122-L167 VanDerWaalsContact CD2-N 3.28Å; F122-L167 HydrophobicContact CE2-CB 4.07Å; F122-L167 HydrophobicContact CZ-CB 4.36Å; L163-L167 VanDerWaalsContact O-CB 3.31Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.03Å; W164-L167 PolarHBondContact O-N 2.64Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 3.41Å; L167-C169 VanDerWaalsContact C-N 3.32Å; L167-C169 PolarHBondContact O-N 3.44Å; L167-A170 PolarHBondContact O-N 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 2.9Å; L167-I171 PolarHBondContact O-N 3.25Å
168	L	89.2	Confident	89.6	Confident	122 Å²	122	53.4 Å²	53.4	64%	0.639	28%	0.275	S	S	*	.	H	α-helix	trans	-58.4	-43.3	176.7	-175.4	64.2	0	0	0	111.9	W164 I165 A170 I171	W164-L168 WeakPolarHBondContact O-CB 3.41Å; W164-L168 PolarHBondContact O-N 3.05Å; I165-L168 PolarHBondContact O-N 3.45Å; L168-A170 PolarHBondContact O-N 3.42Å; L168-I171 HydrophobicContact CD1-CD1 4.22Å
169	C	87.9	Confident	89.5	Confident	56 Å²	56	52.4 Å²	52.4	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-23.6	176.6	-70	0	0	0	0	113.5	I165 G166 L167 H232	I165-C169 WeakPolarHBondContact O-CB 3.44Å; I165-C169 PolarHBondContact O-N 3.09Å; I165-C169 PolarHBondContact O-SG 2.89Å; G166-C169 PolarHBondContact O-N 3.45Å; L167-C169 VanDerWaalsContact C-N 3.32Å; L167-C169 PolarHBondContact O-N 3.44Å; C169-H232 PolarHBondContact O-CE1 3.31Å; C169-H232 PolarHBondContact O-NE2 3.2Å
170	A	90.4	Very high	89.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-89.3	-20.5	-177.4	0	0	0	0	0	114.1	T118 F122 G166 L167 L168 M173 G174	T118-A170 HydrophobicContact CG2-CB 3.93Å; T118-A170 WeakPolarHBondContact O-CB 3.39Å; F122-A170 HydrophobicContact CB-CB 3.74Å; G166-A170 WeakPolarHBondContact O-CB 3.06Å; G166-A170 PolarHBondContact O-N 3.42Å; G166-A170 VanDerWaalsContact O-N 3.08Å; L167-A170 PolarHBondContact O-N 3.44Å; L168-A170 PolarHBondContact O-N 3.42Å; A170-M173 WeakPolarHBondContact O-CB 3.35Å; A170-M173 PolarHBondContact O-N 2.94Å; A170-G174 PolarHBondContact O-N 2.91Å
171	I	90.8	Very high	88.6	Confident	72 Å²	72	56 Å²	56	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-53.3	-44.3	179.3	-68.4	165.4	0	0	0	112.9	L167 L168 M173 G174 L175	L167-I171 WeakPolarHBondContact O-CG1 2.9Å; L167-I171 PolarHBondContact O-N 3.25Å; L168-I171 HydrophobicContact CD1-CD1 4.22Å; I171-M173 PolarHBondContact O-N 2.7Å; I171-M173 VanDerWaalsContact O-N 3.15Å; I171-G174 PolarHBondContact O-N 3.14Å; I171-L175 HydrophobicContact CG2-CD1 3.87Å; I171-L175 HydrophobicContact CG2-CG 4.1Å; I171-L175 PolarHBondContact O-N 3.31Å
172	P	89.9	Confident	87.5	Confident	36 Å²	36	54.5 Å²	54.5	23%	0.234	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-27.8	176.9	-26.8	36.5	0	0	0	113.6	I224	P172-I224 VanDerWaalsContact CA-CD1 3.43Å; P172-I224 HydrophobicContact CB-CD1 3.62Å; P172-I224 WeakPolarHBondContact O-CD1 3.25Å
173	M	87.3	Confident	86.2	Confident	7 Å²	7	61 Å²	61	3%	0.034	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-43.4	173.8	-57.8	-161.8	-175.5	0	0	111	L117 G121 A170 I171 L175 H176 V236	L117-M173 WeakPolarHBondContact CD2-O 3.32Å; L117-M173 HydrophobicContact CG-CB 4.25Å; L117-M173 WeakPolarHBondContact CG-O 3.49Å; G121-M173 WeakPolarHBondContact CA-SD 3.26Å; A170-M173 WeakPolarHBondContact O-CB 3.35Å; A170-M173 PolarHBondContact O-N 2.94Å; I171-M173 PolarHBondContact O-N 2.7Å; I171-M173 VanDerWaalsContact O-N 3.15Å; M173-L175 VanDerWaalsContact C-N 3.33Å; M173-L175 PolarHBondContact O-N 2.87Å; M173-H176 PolarHBondContact O-N 3.13Å; M173-V236 HydrophobicContact CE-CB 4.25Å; M173-V236 HydrophobicContact CE-CG1 3.95Å; M173-V236 HydrophobicContact CE-CG2 3.75Å
174	G	90.6	Very high	84.6	Confident	2 Å²	2	64.7 Å²	64.7	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-29.3	177.2	0	0	0	0	0	114.7	R114 T118 A170 I171 H176 V177	R114-G174 WeakPolarHBondContact CG-O 3.43Å; R114-G174 WeakPolarHBondContact O-CA 3.38Å; T118-G174 VanDerWaalsContact OG1-CA 3.27Å; T118-G174 WeakPolarHBondContact OG1-CA 3.41Å; A170-G174 PolarHBondContact O-N 2.91Å; I171-G174 PolarHBondContact O-N 3.14Å; G174-H176 VanDerWaalsContact C-N 3.29Å; G174-H176 PolarHBondContact O-N 3.3Å; G174-V177 WeakPolarHBondContact O-CG1 3.42Å
175	L	91.4	Very high	82.7	Confident	55 Å²	55	64.8 Å²	64.8	29%	0.288	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.8	179.7	-68.8	177.6	0	0	0	114.1	I171 M173 V177 I224	I171-L175 HydrophobicContact CG2-CD1 3.87Å; I171-L175 HydrophobicContact CG2-CG 4.1Å; I171-L175 PolarHBondContact O-N 3.31Å; M173-L175 VanDerWaalsContact C-N 3.33Å; M173-L175 PolarHBondContact O-N 2.87Å; L175-V177 VanDerWaalsContact C-N 3.3Å; L175-I224 HydrophobicContact CB-CD1 3.79Å; L175-I224 HydrophobicContact CB-CG1 4.28Å; L175-I224 HydrophobicContact CD1-CD1 4.42Å
176	H	88.3	Confident	80.5	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.046	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.1	177.8	-166.9	56.4	0	0	0	113.3	M173 G174 K219 D220 D221 I224 D226 Y229	M173-H176 PolarHBondContact O-N 3.13Å; G174-H176 VanDerWaalsContact C-N 3.29Å; G174-H176 PolarHBondContact O-N 3.3Å; H176-K219 WeakPolarHBondContact CE1-CE 3.35Å; H176-K219 WeakPolarHBondContact NE2-CD 3.48Å; H176-K219 WeakPolarHBondContact NE2-CE 3.15Å; H176-K219 WeakPolarHBondContact NE2-CG 3.46Å; H176-D220 PolarHBondContact ND1-O 3.35Å; H176-D220 PolarHBondContact O-N 3.06Å; H176-D221 IonicContact CE1-OD1 3.84Å; H176-D221 PolarHBondContact CE1-OD1 2.87Å; H176-D221 IonicContact ND1-OD1 3.16Å; H176-I224 PolarHBondContact CE1-O 3.29Å; H176-I224 PolarHBondContact ND1-O 3.27Å; H176-D226 IonicContact CE1-OD1 3.27Å; H176-Y229 HydrophobicContact CB-CD2 3.69Å; H176-Y229 HydrophobicContact CB-CE2 4.04Å; H176-Y229 HydrophobicContact CB-CG 4.39Å; H176-Y229 AromaticContact CD2-CD1 3.63Å; H176-Y229 AromaticContact CD2-CD2 3.38Å; H176-Y229 WeakPolarHBondContact CD2-CD2 3.47Å; H176-Y229 AromaticContact CD2-CE1 3.9Å; H176-Y229 AromaticContact CD2-CE2 3.66Å; H176-Y229 AromaticContact CD2-CG 3.35Å; H176-Y229 AromaticContact CD2-CZ 3.9Å; H176-Y229 AromaticContact CG-CD2 3.57Å; H176-Y229 AromaticContact CG-CG 3.78Å; H176-Y229 AromaticContact NE2-CD1 3.64Å; H176-Y229 AromaticContact NE2-CG 3.58Å
177	V	88.8	Confident	78.2	Confident	11 Å²	11	74.1 Å²	74.1	7%	0.067	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.1	179.2	68.7	0	0	0	0	110.4	C113 R114 L117 G174 L175 C217 D218	C113-V177 HydrophobicContact CB-CG1 4.25Å; C113-V177 HydrophobicContact CB-CG2 4.15Å; R114-V177 HydrophobicContact CG-CG1 4.37Å; L117-V177 HydrophobicContact CB-CG1 3.96Å; L117-V177 HydrophobicContact CD2-CB 3.77Å; L117-V177 HydrophobicContact CD2-CG1 3.67Å; L117-V177 HydrophobicContact CG-CG1 4.46Å; G174-V177 WeakPolarHBondContact O-CG1 3.42Å; L175-V177 VanDerWaalsContact C-N 3.3Å; V177-C217 HydrophobicContact CG2-CB 3.92Å; V177-D218 WeakPolarHBondContact CA-O 3.45Å; V177-D218 VanDerWaalsContact CG2-O 3.28Å; V177-D218 WeakPolarHBondContact CG2-O 3.42Å
178	R	89.2	Confident	76.1	Confident	98 Å²	98	79.4 Å²	79.4	37%	0.37	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.2	170.3	76.6	-171.2	-59.1	154.4	-11.1	110.4	D110 I180 D218 D220 T222	D110-R178 WeakPolarHBondContact OD1-CA 3.37Å; D110-R178 WeakPolarHBondContact OD1-CB 3.29Å; R178-I180 HydrophobicContact CG-CD1 4.05Å; R178-I180 HydrophobicContact CG-CG1 3.47Å; R178-I180 VanDerWaalsContact CG-CG1 3.47Å; R178-D218 PolarHBondContact N-O 3.42Å; R178-D218 PolarHBondContact O-N 3.21Å; R178-D220 HydrophobicContact CB-CB 3.78Å; R178-D220 VanDerWaalsContact CD-CG 3.41Å; R178-D220 WeakPolarHBondContact CD-OD2 3.27Å; R178-D220 HydrophobicContact CG-CB 3.76Å; R178-D220 IonicContact CZ-OD2 3.55Å; R178-D220 IonicContact NE-OD2 2.8Å; R178-D220 IonicContact NH1-OD1 3.63Å; R178-D220 PolarHBondContact NH1-OD1 3.35Å; R178-D220 IonicContact NH1-OD2 3.79Å; R178-D220 PolarHBondContact NH1-OD2 3.4Å; R178-T222 PolarHBondContact NH1-OG1 3.22Å
179	A	88.3	Confident	73.9	Confident	15 Å²	15	80.8 Å²	80.8	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117	165.6	0	0	0	0	0	109.7	D110 K215 R216	D110-A179 HydrophobicContact CB-CB 4.17Å; D110-A179 PolarHBondContact OD1-N 3.29Å; D110-A179 VanDerWaalsContact OD1-N 3.11Å; A179-K215 HydrophobicContact CB-CB 4.26Å; A179-R216 CarbonylContact C-O 3.49Å; A179-R216 WeakPolarHBondContact CA-O 3.4Å
180	I	83.2	Confident	72.1	Confident	59 Å²	59	81.7 Å²	81.7	30%	0.303	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.4	177.3	-55.5	-172.7	0	0	0	109.6	R178 V182 K215 R216 D218	R178-I180 HydrophobicContact CG-CD1 4.05Å; R178-I180 HydrophobicContact CG-CG1 3.47Å; R178-I180 VanDerWaalsContact CG-CG1 3.47Å; I180-V182 PolarHBondContact O-N 3.42Å; I180-K215 VanDerWaalsContact O-CA 3.31Å; I180-K215 WeakPolarHBondContact O-CA 3.16Å; I180-R216 PolarHBondContact N-O 2.89Å; I180-R216 PolarHBondContact O-N 3.04Å; I180-D218 HydrophobicContact CB-CB 4.35Å; I180-D218 HydrophobicContact CD1-CB 3.68Å; I180-D218 HydrophobicContact CG1-CB 3.96Å
181	D	78.3	Confident	70	Confident	74 Å²	74	85.9 Å²	85.9	40%	0.396	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	106.8	172	-79.7	-45	0	0	0	110.3	V213 K215	D181-V213 VanDerWaalsContact C-CG1 3.48Å; D181-V213 HydrophobicContact CB-CB 4.29Å; D181-V213 HydrophobicContact CB-CG1 3.45Å; D181-V213 VanDerWaalsContact CB-CG1 3.45Å; D181-K215 WeakPolarHBondContact OD1-CE 3.44Å; D181-K215 WeakPolarHBondContact OD1-CG 3.46Å
182	V	69.6	Low	68.3	Low	52 Å²	52	89.6 Å²	89.6	32%	0.315	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.5	176.3	-177.8	0	0	0	0	109.5	I180 K184 V213 S214 R216	I180-V182 PolarHBondContact O-N 3.42Å; V182-K184 PolarHBondContact O-N 3Å; V182-V213 WeakPolarHBondContact O-CG1 3.32Å; V182-S214 PolarHBondContact N-O 3.41Å; V182-R216 HydrophobicContact CG2-CB 4.17Å; V182-R216 HydrophobicContact CG2-CG 4.23Å
183	F	62.9	Low	66.5	Low	164 Å²	164	92.6 Å²	92.6	72%	0.719	45%	0.448	S	S	*	.			trans	-62.3	129.5	172.1	-65	-81.4	0	0	0	109.5	E185	F183-E185 PolarHBondContact O-N 3.45Å
184	K	54.9	Low	65	Low	155 Å²	155	95.4 Å²	95.4	67%	0.674	47%	0.465	S	S	*	.			trans	-68.5	96	176.1	-174.3	-179.2	178.5	-173.5	0	107.9	V182 R186	V182-K184 PolarHBondContact O-N 3Å; K184-R186 HydrophobicContact CG-CB 4.27Å; K184-R186 PolarHBondContact O-N 3.07Å
185	E	49.1	Very low	63.2	Low	193 Å²	193	99.6 Å²	99.6	90%	0.902	49%	0.487	S	S	*	.			trans	-68.1	73.1	172.9	-167.7	161.7	-157.7	0	0	109.8	F183	F183-E185 PolarHBondContact O-N 3.45Å
186	R	44.2	Very low	61.6	Low	194 Å²	194	104.4 Å²	104.4	73%	0.732	51%	0.505	S	S	*	.			trans	-136.7	22.5	173.3	-134.4	-155.7	-69.1	-155.2	3.2	114.5	K184	K184-R186 HydrophobicContact CG-CB 4.27Å; K184-R186 PolarHBondContact O-N 3.07Å
187	D	39.7	Very low	59.7	Low	108 Å²	108	112.2 Å²	112.2	58%	0.578	54%	0.536	S	S	*	.			trans	-133.1	80.1	169.7	-62.9	-42.3	0	0	0	110.6	L189 L190	D187-L189 PolarHBondContact O-N 2.91Å; D187-L190 HydrophobicContact CB-CB 3.92Å
188	E	43.6	Very low	58.2	Low	183 Å²	183	112.1 Å²	112.1	86%	0.855	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	20.4	153.3	-87.3	-169.6	149.4	0	0	111.8
189	L	44.1	Very low	56.5	Low	151 Å²	151	114.4 Å²	114.4	79%	0.791	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.8	18.9	-177.3	-99.8	159.6	0	0	0	112.8	D187 D191	D187-L189 PolarHBondContact O-N 2.91Å; L189-D191 PolarHBondContact O-N 3.22Å
190	L	48.6	Very low	55	Low	75 Å²	75	117.8 Å²	117.8	39%	0.393	58%	0.578	S	S	.	*			trans	-77.6	76.4	167	-155.2	74.3	0	0	0	108.8	D187 L192 L195	D187-L190 HydrophobicContact CB-CB 3.92Å; L190-L192 PolarHBondContact O-N 3Å; L190-L195 HydrophobicContact CD2-CD1 3.8Å
191	D	48.1	Very low	53.8	Low	89 Å²	89	119.4 Å²	119.4	48%	0.476	59%	0.591	S	S	.	*			trans	-47.4	132.5	173.2	-146.3	-5.2	0	0	0	108.5	L189 N193 T194 L195	L189-D191 PolarHBondContact O-N 3.22Å; D191-N193 HydrophobicContact CB-CB 4.46Å; D191-N193 PolarHBondContact O-N 3.1Å; D191-T194 WeakPolarHBondContact CB-OG1 3.33Å; D191-T194 WeakPolarHBondContact O-CB 3.3Å; D191-T194 PolarHBondContact O-N 3.36Å; D191-T194 PolarHBondContact O-OG1 3.47Å; D191-L195 PolarHBondContact O-N 3Å
192	L	53.4	Low	52.3	Low	151 Å²	151	118.7 Å²	118.7	79%	0.791	59%	0.587	S	S	*	*	H	α-helix	trans	-53.3	-23.7	177.4	-130.9	96.1	0	0	0	111	L190 K196	L190-L192 PolarHBondContact O-N 3Å; L192-K196 WeakPolarHBondContact O-CB 3.07Å; L192-K196 PolarHBondContact O-N 2.92Å; L192-K196 VanDerWaalsContact O-N 3.14Å
193	N	52.8	Low	51.5	Low	99 Å²	99	125.4 Å²	125.4	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-70.4	-37.3	173.2	-65.6	-34.8	0	0	0	113.7	D191 K196 Y197	D191-N193 HydrophobicContact CB-CB 4.46Å; D191-N193 PolarHBondContact O-N 3.1Å; N193-K196 PolarHBondContact O-N 3.22Å; N193-Y197 WeakPolarHBondContact O-CB 3.29Å; N193-Y197 PolarHBondContact O-N 3.47Å
194	T	54.9	Low	50.9	Low	65 Å²	65	122.7 Å²	122.7	40%	0.399	61%	0.608	S	S	.	*	H	α-helix	trans	-70.2	-37.3	177.2	-35.4	0	0	0	0	111.2	D191 G198	D191-T194 WeakPolarHBondContact CB-OG1 3.33Å; D191-T194 WeakPolarHBondContact O-CB 3.3Å; D191-T194 PolarHBondContact O-N 3.36Å; D191-T194 PolarHBondContact O-OG1 3.47Å; T194-G198 PolarHBondContact O-N 3.05Å
195	L	53.3	Low	51	Low	90 Å²	90	121.8 Å²	121.8	47%	0.471	61%	0.61	S	S	.	*	H	α-helix	trans	-70.4	-35.2	174.8	-161.2	134.4	0	0	0	111.3	L190 D191 L199	L190-L195 HydrophobicContact CD2-CD1 3.8Å; D191-L195 PolarHBondContact O-N 3Å; L195-L199 VanDerWaalsContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CB 3.33Å; L195-L199 PolarHBondContact O-N 2.82Å
196	K	57.9	Low	51.4	Low	157 Å²	157	120 Å²	120	68%	0.683	60%	0.602	S	S	*	*	H	α-helix	trans	-70.8	-38.2	174.2	-162.8	175.9	-176.3	-176.2	0	112.8	L192 N193 S200	L192-K196 WeakPolarHBondContact O-CB 3.07Å; L192-K196 PolarHBondContact O-N 2.92Å; L192-K196 VanDerWaalsContact O-N 3.14Å; N193-K196 PolarHBondContact O-N 3.22Å; K196-S200 PolarHBondContact O-N 3.1Å; K196-S200 PolarHBondContact O-OG 3.08Å
197	Y	49.8	Very low	51.7	Low	174 Å²	174	114.5 Å²	114.5	68%	0.682	58%	0.581	S	S	*	*	H	α-helix	trans	-69.3	-46.5	174.8	-115.8	-89.5	0	0	0	111.6	N193 L199 S200 T201	N193-Y197 WeakPolarHBondContact O-CB 3.29Å; N193-Y197 PolarHBondContact O-N 3.47Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.47Å; Y197-S200 WeakPolarHBondContact CA-OG 3.44Å; Y197-S200 PolarHBondContact O-N 2.8Å; Y197-S200 VanDerWaalsContact O-N 3.08Å; Y197-S200 PolarHBondContact O-OG 2.8Å; Y197-T201 PolarHBondContact O-N 3.49Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.13Å
198	G	55.7	Low	52.3	Low	8 Å²	8	114.9 Å²	114.9	8%	0.082	58%	0.583	C	S	.	*	H	α-helix	trans	-58.2	-42.5	175.5	0	0	0	0	0	112.1	T194 S200 T201 L202	T194-G198 PolarHBondContact O-N 3.05Å; G198-S200 PolarHBondContact O-N 3.06Å; G198-T201 PolarHBondContact O-N 2.86Å; G198-L202 WeakPolarHBondContact O-CB 3.24Å; G198-L202 WeakPolarHBondContact O-CD1 3.21Å; G198-L202 PolarHBondContact O-N 2.94Å
199	L	54.8	Low	52.9	Low	146 Å²	146	110.9 Å²	110.9	76%	0.764	57%	0.567	S	S	*	*	H	α-helix	trans	-68.8	-21	177.8	-151	73.8	0	0	0	113.7	L195 Y197	L195-L199 VanDerWaalsContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CB 3.33Å; L195-L199 PolarHBondContact O-N 2.82Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.47Å
200	S	56.8	Low	53.4	Low	87 Å²	87	111.1 Å²	111.1	61%	0.608	56%	0.564	S	S	*	*	H	α-helix	trans	-90.2	-10.5	178.3	64.6	0	0	0	0	114.5	K196 Y197 G198	K196-S200 PolarHBondContact O-N 3.1Å; K196-S200 PolarHBondContact O-OG 3.08Å; Y197-S200 WeakPolarHBondContact CA-OG 3.44Å; Y197-S200 PolarHBondContact O-N 2.8Å; Y197-S200 VanDerWaalsContact O-N 3.08Å; Y197-S200 PolarHBondContact O-OG 2.8Å; G198-S200 PolarHBondContact O-N 3.06Å
201	T	57	Low	53.7	Low	92 Å²	92	111.8 Å²	111.8	56%	0.564	57%	0.567	S	S	*	*	S	Bend	trans	-120.1	10.2	-176.2	56.8	0	0	0	0	114.2	Y197 G198	Y197-T201 PolarHBondContact O-N 3.49Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.13Å; G198-T201 PolarHBondContact O-N 2.86Å
202	L	47.7	Very low	54	Low	60 Å²	60	115.9 Å²	115.9	31%	0.314	58%	0.576	S	S	.	*			trans	-111.4	83.6	-168.4	-112.7	109.8	0	0	0	114.7	G198 N204 W207	G198-L202 WeakPolarHBondContact O-CB 3.24Å; G198-L202 WeakPolarHBondContact O-CD1 3.21Å; G198-L202 PolarHBondContact O-N 2.94Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 WeakPolarHBondContact CD2-O 3.14Å; L202-W207 HydrophobicContact CD1-CB 3.52Å; L202-W207 HydrophobicContact CD1-CD2 3.7Å; L202-W207 HydrophobicContact CD1-CE3 3.72Å; L202-W207 HydrophobicContact CD1-CG 3.66Å; L202-W207 HydrophobicContact CD2-CB 3.48Å; L202-W207 VanDerWaalsContact CD2-CB 3.48Å; L202-W207 HydrophobicContact CD2-CE3 4.31Å; L202-W207 HydrophobicContact CD2-CG 4.39Å; L202-W207 HydrophobicContact CG-CB 3.94Å
203	E	51.8	Low	54.5	Low	193 Å²	193	110.7 Å²	110.7	90%	0.902	55%	0.551	S	S	*	*			trans	-93.2	12.1	151	-155.3	171.4	-177.1	0	0	111.1
204	N	49.9	Very low	55.4	Low	107 Å²	107	107.5 Å²	107.5	57%	0.572	54%	0.536	S	S	*	.			trans	-113.5	114.9	-173.5	-68.7	-20.2	0	0	0	111.7	L202 E206	L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 WeakPolarHBondContact CD2-O 3.14Å; N204-E206 PolarHBondContact O-N 2.75Å
205	D	56.9	Low	56.6	Low	135 Å²	135	108.7 Å²	108.7	72%	0.722	54%	0.536	S	S	*	.	H	α-helix	trans	-51.5	-7.1	173.4	-83.9	-38.6	0	0	0	115.4	N209	D205-N209 PolarHBondContact O-ND2 2.82Å
206	E	57.8	Low	58.1	Low	155 Å²	155	109.3 Å²	109.3	72%	0.724	53%	0.532	S	S	*	.	H	α-helix	trans	-81.3	-35.2	-169.9	-147.9	168.4	-164.5	0	0	113.7	N204 N209 Q210	N204-E206 PolarHBondContact O-N 2.75Å; E206-N209 PolarHBondContact O-N 3.31Å; E206-Q210 PolarHBondContact O-N 3.21Å
207	W	51.6	Low	59.5	Low	80 Å²	80	103.6 Å²	103.6	30%	0.303	51%	0.512	S	S	.	.	H	α-helix	trans	-77.8	-31.8	-179.5	-158.9	73.3	0	0	0	112.4	L202 N209 Q210 L211	L202-W207 HydrophobicContact CD1-CB 3.52Å; L202-W207 HydrophobicContact CD1-CD2 3.7Å; L202-W207 HydrophobicContact CD1-CE3 3.72Å; L202-W207 HydrophobicContact CD1-CG 3.66Å; L202-W207 HydrophobicContact CD2-CB 3.48Å; L202-W207 VanDerWaalsContact CD2-CB 3.48Å; L202-W207 HydrophobicContact CD2-CE3 4.31Å; L202-W207 HydrophobicContact CD2-CG 4.39Å; L202-W207 HydrophobicContact CG-CB 3.94Å; W207-N209 VanDerWaalsContact C-N 3.27Å; W207-N209 PolarHBondContact O-N 3.32Å; W207-Q210 WeakPolarHBondContact O-CB 3.16Å; W207-Q210 PolarHBondContact O-N 2.83Å; W207-Q210 VanDerWaalsContact O-N 3.09Å; W207-L211 HydrophobicContact CE3-CD1 3.86Å; W207-L211 HydrophobicContact CH2-CD1 4.22Å; W207-L211 HydrophobicContact CZ3-CD1 3.68Å; W207-L211 PolarHBondContact O-N 3.48Å
208	L	52.4	Low	61.1	Low	116 Å²	116	99.8 Å²	99.8	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-32.5	171.4	-82.1	166	0	0	0	111.8	Q210 L211	L208-Q210 VanDerWaalsContact C-N 3.3Å; L208-Q210 PolarHBondContact O-N 3.14Å; L208-L211 PolarHBondContact O-N 3.06Å
209	N	55.3	Low	62.5	Low	99 Å²	99	103.2 Å²	103.2	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-69.5	-24.4	172.2	-84.1	-53	0	0	0	113.3	D205 E206 W207 R212	D205-N209 PolarHBondContact O-ND2 2.82Å; E206-N209 PolarHBondContact O-N 3.31Å; W207-N209 VanDerWaalsContact C-N 3.27Å; W207-N209 PolarHBondContact O-N 3.32Å; N209-R212 WeakPolarHBondContact O-CB 3.34Å; N209-R212 PolarHBondContact O-N 3.45Å
210	Q	55.2	Low	64	Low	156 Å²	156	96.8 Å²	96.8	73%	0.729	48%	0.482	S	S	*	.	H	α-helix	trans	-77.3	-26.8	173.9	-78.9	-174	-26.8	0	0	113.2	E206 W207 L208 R212	E206-Q210 PolarHBondContact O-N 3.21Å; W207-Q210 WeakPolarHBondContact O-CB 3.16Å; W207-Q210 PolarHBondContact O-N 2.83Å; W207-Q210 VanDerWaalsContact O-N 3.09Å; L208-Q210 VanDerWaalsContact C-N 3.3Å; L208-Q210 PolarHBondContact O-N 3.14Å; Q210-R212 PolarHBondContact O-N 2.88Å
211	L	54.1	Low	65.3	Low	88 Å²	88	96.4 Å²	96.4	46%	0.461	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	23.2	170	-76.1	158.4	0	0	0	112.6	W207 L208 V213	W207-L211 HydrophobicContact CE3-CD1 3.86Å; W207-L211 HydrophobicContact CH2-CD1 4.22Å; W207-L211 HydrophobicContact CZ3-CD1 3.68Å; W207-L211 PolarHBondContact O-N 3.48Å; L208-L211 PolarHBondContact O-N 3.06Å; L211-V213 VanDerWaalsContact O-CG2 3.28Å; L211-V213 WeakPolarHBondContact O-CG2 3.39Å; L211-V213 PolarHBondContact O-N 3.18Å
212	R	54.8	Low	66.6	Low	175 Å²	175	96.4 Å²	96.4	66%	0.66	47%	0.473	S	S	*	.			trans	-51.9	107	-178.1	-175.6	178.7	-68.2	156.3	0.5	110.1	N209 Q210 S214	N209-R212 WeakPolarHBondContact O-CB 3.34Å; N209-R212 PolarHBondContact O-N 3.45Å; Q210-R212 PolarHBondContact O-N 2.88Å; R212-S214 PolarHBondContact O-N 3.32Å
213	V	63.6	Low	68.3	Low	43 Å²	43	100.3 Å²	100.3	26%	0.261	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-76.7	117.2	177.9	-162.8	0	0	0	0	106.9	D181 V182 L211 K215	D181-V213 VanDerWaalsContact C-CG1 3.48Å; D181-V213 HydrophobicContact CB-CB 4.29Å; D181-V213 HydrophobicContact CB-CG1 3.45Å; D181-V213 VanDerWaalsContact CB-CG1 3.45Å; V182-V213 WeakPolarHBondContact O-CG1 3.32Å; L211-V213 VanDerWaalsContact O-CG2 3.28Å; L211-V213 WeakPolarHBondContact O-CG2 3.39Å; L211-V213 PolarHBondContact O-N 3.18Å; V213-K215 PolarHBondContact O-N 3.13Å
214	S	71.4	Confident	70	Confident	32 Å²	32	91.9 Å²	91.9	22%	0.224	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.8	175.4	-177.2	0	0	0	0	108	D107 V182 R212	D107-S214 VanDerWaalsContact OD1-CA 3.23Å; D107-S214 WeakPolarHBondContact OD1-CA 3.49Å; D107-S214 PolarHBondContact OD1-OG 2.98Å; V182-S214 PolarHBondContact N-O 3.41Å; R212-S214 PolarHBondContact O-N 3.32Å
215	K	80.8	Confident	71.7	Confident	89 Å²	89	90.6 Å²	90.6	39%	0.387	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.6	175	-77.1	-177.1	179.9	-178.6	0	109.5	D107 T108 A179 I180 D181 V213	D107-K215 CarbonylContact C-O 3.58Å; D107-K215 WeakPolarHBondContact CA-O 3.07Å; D107-K215 PolarHBondContact OD1-N 3.24Å; T108-K215 PolarHBondContact N-O 3.09Å; T108-K215 WeakPolarHBondContact O-CB 3.46Å; A179-K215 HydrophobicContact CB-CB 4.26Å; I180-K215 VanDerWaalsContact O-CA 3.31Å; I180-K215 WeakPolarHBondContact O-CA 3.16Å; D181-K215 WeakPolarHBondContact OD1-CE 3.44Å; D181-K215 WeakPolarHBondContact OD1-CG 3.46Å; V213-K215 PolarHBondContact O-N 3.13Å
216	R	84.4	Confident	72.9	Confident	103 Å²	103	86.7 Å²	86.7	39%	0.389	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.8	177.3	-64.3	-179.3	-178.6	153.6	4.2	110.1	T105 A179 I180 V182 D218	T105-R216 PolarHBondContact O-NE 3.12Å; A179-R216 CarbonylContact C-O 3.49Å; A179-R216 WeakPolarHBondContact CA-O 3.4Å; I180-R216 PolarHBondContact N-O 2.89Å; I180-R216 PolarHBondContact O-N 3.04Å; V182-R216 HydrophobicContact CG2-CB 4.17Å; V182-R216 HydrophobicContact CG2-CG 4.23Å; R216-D218 PolarHBondContact O-N 2.9Å
217	C	88	Confident	74.2	Confident	38 Å²	38	86 Å²	86	26%	0.257	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	119.6	172.8	-56.3	0	0	0	0	109.4	C113 V177	C113-C217 WeakPolarHBondContact CA-SG 3.47Å; C113-C217 HydrophobicContact CB-CB 3.84Å; C113-C217 WeakPolarHBondContact CB-SG 3.18Å; C113-C217 WeakPolarHBondContact SG-CA 3.42Å; C113-C217 WeakPolarHBondContact SG-CB 3.33Å; C113-C217 CovalentContact SG-SG 2.03Å; C113-C217 PolarHBondContact SG-SG 3.41Å; V177-C217 HydrophobicContact CG2-CB 3.92Å
218	D	83.3	Confident	75.9	Confident	94 Å²	94	86.9 Å²	86.9	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.5	172.9	-164.3	15.8	0	0	0	110.1	V177 R178 I180 R216 D220	V177-D218 WeakPolarHBondContact CA-O 3.45Å; V177-D218 VanDerWaalsContact CG2-O 3.28Å; V177-D218 WeakPolarHBondContact CG2-O 3.42Å; R178-D218 PolarHBondContact N-O 3.42Å; R178-D218 PolarHBondContact O-N 3.21Å; I180-D218 HydrophobicContact CB-CB 4.35Å; I180-D218 HydrophobicContact CD1-CB 3.68Å; I180-D218 HydrophobicContact CG1-CB 3.96Å; R216-D218 PolarHBondContact O-N 2.9Å; D218-D220 PolarHBondContact O-N 2.96Å
219	K	84.7	Confident	77.5	Confident	80 Å²	80	83.2 Å²	83.2	35%	0.348	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135	-176.6	-179.3	175.8	158.1	-95	0	110.7	H176 D221 D226	H176-K219 WeakPolarHBondContact CE1-CE 3.35Å; H176-K219 WeakPolarHBondContact NE2-CD 3.48Å; H176-K219 WeakPolarHBondContact NE2-CE 3.15Å; H176-K219 WeakPolarHBondContact NE2-CG 3.46Å; K219-D221 WeakPolarHBondContact CE-OD1 3.41Å; K219-D221 VanDerWaalsContact NZ-CG 3.32Å; K219-D221 IonicContact NZ-OD1 3.81Å; K219-D221 PolarHBondContact NZ-OD1 3.48Å; K219-D221 IonicContact NZ-OD2 3.51Å; K219-D221 PolarHBondContact NZ-OD2 3.48Å; K219-D226 WeakPolarHBondContact CE-OD1 3.41Å; K219-D226 WeakPolarHBondContact CE-OD2 3.47Å; K219-D226 IonicContact NZ-OD1 3.22Å; K219-D226 PolarHBondContact NZ-OD1 3.23Å; K219-D226 IonicContact NZ-OD2 2.84Å; K219-D226 PolarHBondContact NZ-OD2 3.42Å
220	D	85.8	Confident	78.8	Confident	10 Å²	10	82.9 Å²	82.9	5%	0.053	39%	0.394	C	S	.	.			trans	-122.7	121.9	177.6	-170.5	15	0	0	0	111.2	H176 R178 D218 T222	H176-D220 PolarHBondContact ND1-O 3.35Å; H176-D220 PolarHBondContact O-N 3.06Å; R178-D220 HydrophobicContact CB-CB 3.78Å; R178-D220 VanDerWaalsContact CD-CG 3.41Å; R178-D220 WeakPolarHBondContact CD-OD2 3.27Å; R178-D220 HydrophobicContact CG-CB 3.76Å; R178-D220 IonicContact CZ-OD2 3.55Å; R178-D220 IonicContact NE-OD2 2.8Å; R178-D220 IonicContact NH1-OD1 3.63Å; R178-D220 PolarHBondContact NH1-OD1 3.35Å; R178-D220 IonicContact NH1-OD2 3.79Å; R178-D220 PolarHBondContact NH1-OD2 3.4Å; D218-D220 PolarHBondContact O-N 2.96Å; D220-T222 VanDerWaalsContact OD1-CB 3.28Å; D220-T222 WeakPolarHBondContact OD1-CB 3.35Å; D220-T222 PolarHBondContact OD1-N 2.95Å; D220-T222 VanDerWaalsContact OD1-N 3.08Å; D220-T222 PolarHBondContact OD1-OG1 3.25Å; D220-T222 PolarHBondContact OD2-OG1 2.89Å
221	D	84.2	Confident	80.4	Confident	80 Å²	80	82 Å²	82	43%	0.428	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	-179.3	-59.4	-17.2	0	0	0	111.9	H176 K219	H176-D221 IonicContact CE1-OD1 3.84Å; H176-D221 PolarHBondContact CE1-OD1 2.87Å; H176-D221 IonicContact ND1-OD1 3.16Å; K219-D221 WeakPolarHBondContact CE-OD1 3.41Å; K219-D221 VanDerWaalsContact NZ-CG 3.32Å; K219-D221 IonicContact NZ-OD1 3.81Å; K219-D221 PolarHBondContact NZ-OD1 3.48Å; K219-D221 IonicContact NZ-OD2 3.51Å; K219-D221 PolarHBondContact NZ-OD2 3.48Å
222	T	84	Confident	81.9	Confident	92 Å²	92	79.5 Å²	79.5	56%	0.564	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-45.6	-176.4	-55.8	0	0	0	0	113	R178 D220	R178-T222 PolarHBondContact NH1-OG1 3.22Å; D220-T222 VanDerWaalsContact OD1-CB 3.28Å; D220-T222 WeakPolarHBondContact OD1-CB 3.35Å; D220-T222 PolarHBondContact OD1-N 2.95Å; D220-T222 VanDerWaalsContact OD1-N 3.08Å; D220-T222 PolarHBondContact OD1-OG1 3.25Å; D220-T222 PolarHBondContact OD2-OG1 2.89Å
223	Y	85.3	Confident	83.3	Confident	142 Å²	142	71.8 Å²	71.8	56%	0.557	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-37.9	-177.5	-65.8	-78.7	0	0	0	112.7
224	I	85.7	Confident	84.3	Confident	15 Å²	15	72 Å²	72	8%	0.077	34%	0.342	C	S	.	.	S	Bend	trans	-135.7	114.2	-176.9	-65.2	179.2	0	0	0	107.6	P172 L175 H176 L228	P172-I224 VanDerWaalsContact CA-CD1 3.43Å; P172-I224 HydrophobicContact CB-CD1 3.62Å; P172-I224 WeakPolarHBondContact O-CD1 3.25Å; L175-I224 HydrophobicContact CB-CD1 3.79Å; L175-I224 HydrophobicContact CB-CG1 4.28Å; L175-I224 HydrophobicContact CD1-CD1 4.42Å; H176-I224 PolarHBondContact CE1-O 3.29Å; H176-I224 PolarHBondContact ND1-O 3.27Å; I224-L228 HydrophobicContact CG2-CB 4.09Å; I224-L228 HydrophobicContact CG2-CD2 4.24Å; I224-L228 HydrophobicContact CG2-CG 4.2Å
225	N	85.6	Confident	85.1	Confident	80 Å²	80	74.4 Å²	74.4	43%	0.428	36%	0.358	S	S	.	.			trans	-72.1	162.8	175.7	69.4	15.1	0	0	0	111.7	Q227 L228 Y229	N225-Q227 PolarHBondContact O-N 2.81Å; N225-Q227 VanDerWaalsContact O-N 3.16Å; N225-Q227 PolarHBondContact OD1-N 3.2Å; N225-L228 PolarHBondContact O-N 3.45Å; N225-L228 VanDerWaalsContact O-N 3.14Å; N225-L228 WeakPolarHBondContact OD1-CA 3.4Å; N225-L228 WeakPolarHBondContact OD1-CB 3.3Å; N225-L228 PolarHBondContact OD1-N 3.25Å; N225-Y229 PolarHBondContact O-N 3.38Å
226	D	83	Confident	85.2	Confident	53 Å²	53	71.1 Å²	71.1	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-54.8	-37.8	-178.5	-68.3	26.6	0	0	0	113.2	H176 K219 W230 I504	H176-D226 IonicContact CE1-OD1 3.27Å; K219-D226 WeakPolarHBondContact CE-OD1 3.41Å; K219-D226 WeakPolarHBondContact CE-OD2 3.47Å; K219-D226 IonicContact NZ-OD1 3.22Å; K219-D226 PolarHBondContact NZ-OD1 3.23Å; K219-D226 IonicContact NZ-OD2 2.84Å; K219-D226 PolarHBondContact NZ-OD2 3.42Å; D226-W230 WeakPolarHBondContact O-CB 3.41Å; D226-W230 PolarHBondContact O-N 3.18Å; D226-I504 HydrophobicContact CB-CD1 4.46Å
227	Q	85.7	Confident	85.3	Confident	141 Å²	141	68.3 Å²	68.3	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-67.5	-47.3	-178.9	-68.1	-172.7	-21.9	0	0	110.8	N225 W230 Y231	N225-Q227 PolarHBondContact O-N 2.81Å; N225-Q227 VanDerWaalsContact O-N 3.16Å; N225-Q227 PolarHBondContact OD1-N 3.2Å; Q227-W230 WeakPolarHBondContact O-CB 3.45Å; Q227-W230 PolarHBondContact O-N 3.02Å; Q227-Y231 WeakPolarHBondContact O-CD2 3.3Å; Q227-Y231 PolarHBondContact O-N 3.21Å
228	L	87.5	Confident	85.3	Confident	98 Å²	98	71.1 Å²	71.1	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-67.6	-40.7	178.9	-174	62.9	0	0	0	111.1	I224 N225 W230 Y231 H232	I224-L228 HydrophobicContact CG2-CB 4.09Å; I224-L228 HydrophobicContact CG2-CD2 4.24Å; I224-L228 HydrophobicContact CG2-CG 4.2Å; N225-L228 PolarHBondContact O-N 3.45Å; N225-L228 VanDerWaalsContact O-N 3.14Å; N225-L228 WeakPolarHBondContact OD1-CA 3.4Å; N225-L228 WeakPolarHBondContact OD1-CB 3.3Å; N225-L228 PolarHBondContact OD1-N 3.25Å; L228-W230 VanDerWaalsContact C-N 3.3Å; L228-W230 PolarHBondContact O-N 3.19Å; L228-Y231 PolarHBondContact O-N 3.07Å; L228-H232 WeakPolarHBondContact O-CB 3.32Å; L228-H232 PolarHBondContact O-N 3.11Å
229	Y	85.5	Confident	85.5	Confident	40 Å²	40	70.4 Å²	70.4	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-42.3	171.9	-179	-101.8	0	0	0	111.2	H176 N225 H232 Q233	H176-Y229 HydrophobicContact CB-CD2 3.69Å; H176-Y229 HydrophobicContact CB-CE2 4.04Å; H176-Y229 HydrophobicContact CB-CG 4.39Å; H176-Y229 AromaticContact CD2-CD1 3.63Å; H176-Y229 AromaticContact CD2-CD2 3.38Å; H176-Y229 WeakPolarHBondContact CD2-CD2 3.47Å; H176-Y229 AromaticContact CD2-CE1 3.9Å; H176-Y229 AromaticContact CD2-CE2 3.66Å; H176-Y229 AromaticContact CD2-CG 3.35Å; H176-Y229 AromaticContact CD2-CZ 3.9Å; H176-Y229 AromaticContact CG-CD2 3.57Å; H176-Y229 AromaticContact CG-CG 3.78Å; H176-Y229 AromaticContact NE2-CD1 3.64Å; H176-Y229 AromaticContact NE2-CG 3.58Å; N225-Y229 PolarHBondContact O-N 3.38Å; Y229-H232 WeakPolarHBondContact O-CB 3.49Å; Y229-H232 PolarHBondContact O-N 3.28Å; Y229-Q233 HydrophobicContact CD1-CG 4.11Å; Y229-Q233 HydrophobicContact CE1-CG 3.74Å; Y229-Q233 HydrophobicContact CE2-CG 4.43Å; Y229-Q233 VanDerWaalsContact CZ-NE2 3.27Å; Y229-Q233 WeakPolarHBondContact O-CG 3.33Å; Y229-Q233 PolarHBondContact O-N 3.2Å; Y229-Q233 PolarHBondContact OH-NE2 3.23Å; Y229-Q233 VanDerWaalsContact OH-NE2 3.15Å
230	W	82.6	Confident	85.7	Confident	91 Å²	91	66.9 Å²	66.9	35%	0.345	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-44	177	-175.2	78	0	0	0	112.5	D226 Q227 L228 H232 Q233 I234	D226-W230 WeakPolarHBondContact O-CB 3.41Å; D226-W230 PolarHBondContact O-N 3.18Å; Q227-W230 WeakPolarHBondContact O-CB 3.45Å; Q227-W230 PolarHBondContact O-N 3.02Å; L228-W230 VanDerWaalsContact C-N 3.3Å; L228-W230 PolarHBondContact O-N 3.19Å; W230-H232 VanDerWaalsContact C-N 3.34Å; W230-H232 PolarHBondContact O-N 2.89Å; W230-Q233 PolarHBondContact O-N 3.49Å; W230-I234 HydrophobicContact CD2-CD1 3.8Å; W230-I234 HydrophobicContact CE3-CD1 3.56Å; W230-I234 HydrophobicContact CH2-CD1 3.35Å; W230-I234 HydrophobicContact CZ2-CD1 3.57Å; W230-I234 HydrophobicContact CZ3-CD1 3.33Å; W230-I234 WeakPolarHBondContact O-CG1 3.35Å; W230-I234 PolarHBondContact O-N 3.14Å
231	Y	87.7	Confident	85.8	Confident	139 Å²	139	70.5 Å²	70.5	55%	0.545	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-41.4	172.7	-76.7	-64.6	0	0	0	112.1	Q227 L228 Q233 I234 C235	Q227-Y231 WeakPolarHBondContact O-CD2 3.3Å; Q227-Y231 PolarHBondContact O-N 3.21Å; L228-Y231 PolarHBondContact O-N 3.07Å; Y231-Q233 PolarHBondContact O-N 3.11Å; Y231-I234 WeakPolarHBondContact O-CB 3.29Å; Y231-I234 PolarHBondContact O-N 3.28Å; Y231-C235 PolarHBondContact O-N 3.42Å; Y231-C235 PolarHBondContact O-SG 3.02Å; Y231-C235 VanDerWaalsContact O-SG 3.39Å
232	H	86.3	Confident	86.2	Confident	34 Å²	34	71.2 Å²	71.2	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-44.8	174.8	177.4	-87.5	0	0	0	111.7	C169 L228 Y229 W230 I234 C235 V236	C169-H232 PolarHBondContact O-CE1 3.31Å; C169-H232 PolarHBondContact O-NE2 3.2Å; L228-H232 WeakPolarHBondContact O-CB 3.32Å; L228-H232 PolarHBondContact O-N 3.11Å; Y229-H232 WeakPolarHBondContact O-CB 3.49Å; Y229-H232 PolarHBondContact O-N 3.28Å; W230-H232 VanDerWaalsContact C-N 3.34Å; W230-H232 PolarHBondContact O-N 2.89Å; H232-I234 VanDerWaalsContact C-N 3.3Å; H232-I234 PolarHBondContact O-N 3.5Å; H232-C235 WeakPolarHBondContact O-CB 3.29Å; H232-C235 PolarHBondContact O-N 3.44Å; H232-C235 VanDerWaalsContact O-N 3.16Å; H232-V236 WeakPolarHBondContact O-CG2 3.24Å; H232-V236 PolarHBondContact O-N 2.91Å
233	Q	84.5	Confident	86.6	Confident	13 Å²	13	68 Å²	68	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-36.9	175.4	-70	-63.6	-36.4	0	0	112.5	Y229 W230 Y231 V236 L237	Y229-Q233 HydrophobicContact CD1-CG 4.11Å; Y229-Q233 HydrophobicContact CE1-CG 3.74Å; Y229-Q233 HydrophobicContact CE2-CG 4.43Å; Y229-Q233 VanDerWaalsContact CZ-NE2 3.27Å; Y229-Q233 WeakPolarHBondContact O-CG 3.33Å; Y229-Q233 PolarHBondContact O-N 3.2Å; Y229-Q233 PolarHBondContact OH-NE2 3.23Å; Y229-Q233 VanDerWaalsContact OH-NE2 3.15Å; W230-Q233 PolarHBondContact O-N 3.49Å; Y231-Q233 PolarHBondContact O-N 3.11Å; Q233-V236 PolarHBondContact O-N 3.45Å; Q233-L237 WeakPolarHBondContact O-CB 3.32Å; Q233-L237 PolarHBondContact O-N 2.91Å
234	I	85	Confident	86.9	Confident	49 Å²	49	62.1 Å²	62.1	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-45.8	173.2	-68.6	169.9	0	0	0	111	W230 Y231 H232 V236 L237 L238	W230-I234 HydrophobicContact CD2-CD1 3.8Å; W230-I234 HydrophobicContact CE3-CD1 3.56Å; W230-I234 HydrophobicContact CH2-CD1 3.35Å; W230-I234 HydrophobicContact CZ2-CD1 3.57Å; W230-I234 HydrophobicContact CZ3-CD1 3.33Å; W230-I234 WeakPolarHBondContact O-CG1 3.35Å; W230-I234 PolarHBondContact O-N 3.14Å; Y231-I234 WeakPolarHBondContact O-CB 3.29Å; Y231-I234 PolarHBondContact O-N 3.28Å; H232-I234 VanDerWaalsContact C-N 3.3Å; H232-I234 PolarHBondContact O-N 3.5Å; I234-V236 VanDerWaalsContact C-N 3.31Å; I234-V236 PolarHBondContact O-N 3.26Å; I234-L237 WeakPolarHBondContact O-CB 3.49Å; I234-L237 PolarHBondContact O-N 3.22Å; I234-L238 HydrophobicContact CG2-CD1 4.12Å; I234-L238 HydrophobicContact CG2-CG 4.38Å; I234-L238 WeakPolarHBondContact O-CG 3.05Å; I234-L238 PolarHBondContact O-N 3.34Å
235	C	87.6	Confident	87.3	Confident	82 Å²	82	66.9 Å²	66.9	55%	0.554	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-43.4	177.2	-68.8	0	0	0	0	111.6	Y231 H232 L238 L239	Y231-C235 PolarHBondContact O-N 3.42Å; Y231-C235 PolarHBondContact O-SG 3.02Å; Y231-C235 VanDerWaalsContact O-SG 3.39Å; H232-C235 WeakPolarHBondContact O-CB 3.29Å; H232-C235 PolarHBondContact O-N 3.44Å; H232-C235 VanDerWaalsContact O-N 3.16Å; C235-L238 PolarHBondContact O-N 3.15Å; C235-L239 PolarHBondContact O-N 3.17Å
236	V	83.8	Confident	87.7	Confident	20 Å²	20	64.3 Å²	64.3	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.9	176	171.9	0	0	0	0	111	M173 H232 Q233 I234 L239 F240	M173-V236 HydrophobicContact CE-CB 4.25Å; M173-V236 HydrophobicContact CE-CG1 3.95Å; M173-V236 HydrophobicContact CE-CG2 3.75Å; H232-V236 WeakPolarHBondContact O-CG2 3.24Å; H232-V236 PolarHBondContact O-N 2.91Å; Q233-V236 PolarHBondContact O-N 3.45Å; I234-V236 VanDerWaalsContact C-N 3.31Å; I234-V236 PolarHBondContact O-N 3.26Å; V236-L239 WeakPolarHBondContact O-CB 3.38Å; V236-L239 PolarHBondContact O-N 3.07Å; V236-F240 HydrophobicContact CG1-CD2 3.72Å; V236-F240 HydrophobicContact CG1-CE2 3.59Å; V236-F240 WeakPolarHBondContact O-CD2 3.36Å; V236-F240 PolarHBondContact O-N 3.07Å
237	L	85.2	Confident	88.3	Confident	44 Å²	44	62 Å²	62	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-48.8	174	178.2	79	0	0	0	111.8	Q233 I234 L239 F240 L241 L497 T501	Q233-L237 WeakPolarHBondContact O-CB 3.32Å; Q233-L237 PolarHBondContact O-N 2.91Å; I234-L237 WeakPolarHBondContact O-CB 3.49Å; I234-L237 PolarHBondContact O-N 3.22Å; L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 PolarHBondContact O-N 3.07Å; L237-F240 WeakPolarHBondContact O-CB 3.34Å; L237-F240 PolarHBondContact O-N 2.87Å; L237-F240 VanDerWaalsContact O-N 3.12Å; L237-L241 WeakPolarHBondContact O-CB 3.48Å; L237-L241 PolarHBondContact O-N 3.18Å; L237-L497 HydrophobicContact CD1-CB 3.89Å; L237-L497 HydrophobicContact CD1-CD2 4.31Å; L237-T501 HydrophobicContact CB-CG2 4.07Å; L237-T501 HydrophobicContact CD1-CG2 3.48Å; L237-T501 VanDerWaalsContact CD1-CG2 3.48Å; L237-T501 HydrophobicContact CD2-CG2 3.27Å; L237-T501 HydrophobicContact CG-CG2 3.72Å
238	L	88.1	Confident	88.7	Confident	96 Å²	96	57.6 Å²	57.6	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-41.7	-179.7	-71.5	174.6	0	0	0	110.9	I234 C235 F240 L241 V242	I234-L238 HydrophobicContact CG2-CD1 4.12Å; I234-L238 HydrophobicContact CG2-CG 4.38Å; I234-L238 WeakPolarHBondContact O-CG 3.05Å; I234-L238 PolarHBondContact O-N 3.34Å; C235-L238 PolarHBondContact O-N 3.15Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 3.14Å; L238-L241 PolarHBondContact O-N 3.14Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 3.37Å
239	L	88	Confident	89.1	Confident	79 Å²	79	54.5 Å²	54.5	41%	0.414	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-46.1	173.3	-179.2	66.3	0	0	0	111.4	C235 V236 L237 L241 V242 L243	C235-L239 PolarHBondContact O-N 3.17Å; V236-L239 WeakPolarHBondContact O-CB 3.38Å; V236-L239 PolarHBondContact O-N 3.07Å; L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 PolarHBondContact O-N 3.07Å; L239-L241 PolarHBondContact O-N 3.17Å; L239-V242 PolarHBondContact O-N 3.24Å; L239-L243 HydrophobicContact CG-CD1 4.23Å; L239-L243 WeakPolarHBondContact O-CG 3.16Å; L239-L243 PolarHBondContact O-N 3.04Å
240	F	87.9	Confident	89.5	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-42.4	175.9	-88.2	-65.1	0	0	0	113.1	V124 P125 A128 V236 L237 L238 V242 L243 F244 L497	V124-F240 HydrophobicContact CB-CE1 4.23Å; V124-F240 HydrophobicContact CB-CZ 3.62Å; V124-F240 HydrophobicContact CG1-CE1 3.48Å; V124-F240 VanDerWaalsContact CG1-CE1 3.48Å; V124-F240 HydrophobicContact CG1-CE2 4.3Å; V124-F240 HydrophobicContact CG1-CZ 3.3Å; P125-F240 HydrophobicContact CB-CZ 4.21Å; P125-F240 HydrophobicContact CG-CE2 3.98Å; P125-F240 HydrophobicContact CG-CZ 3.59Å; A128-F240 HydrophobicContact CB-CD1 4.32Å; A128-F240 HydrophobicContact CB-CE1 3.95Å; V236-F240 HydrophobicContact CG1-CD2 3.72Å; V236-F240 HydrophobicContact CG1-CE2 3.59Å; V236-F240 WeakPolarHBondContact O-CD2 3.36Å; V236-F240 PolarHBondContact O-N 3.07Å; L237-F240 WeakPolarHBondContact O-CB 3.34Å; L237-F240 PolarHBondContact O-N 2.87Å; L237-F240 VanDerWaalsContact O-N 3.12Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 3.14Å; F240-V242 VanDerWaalsContact C-N 3.33Å; F240-V242 PolarHBondContact O-N 3.18Å; F240-L243 PolarHBondContact O-N 3.45Å; F240-F244 HydrophobicContact CD1-CD1 4.47Å; F240-F244 AromaticContact CD1-CE1 3.78Å; F240-F244 HydrophobicContact CD1-CE1 3.78Å; F240-F244 HydrophobicContact CD1-CZ 4.25Å; F240-F244 WeakPolarHBondContact O-CB 3.23Å; F240-F244 VanDerWaalsContact O-CD1 3.26Å; F240-F244 WeakPolarHBondContact O-CD1 3.35Å; F240-F244 VanDerWaalsContact O-CG 3.32Å; F240-F244 WeakPolarHBondContact O-CG 3.5Å; F240-F244 PolarHBondContact O-N 3.05Å; F240-L497 HydrophobicContact CB-CD1 4Å; F240-L497 HydrophobicContact CB-CD2 4.19Å; F240-L497 HydrophobicContact CD2-CD2 3.77Å; F240-L497 HydrophobicContact CE2-CD2 4.4Å; F240-L497 HydrophobicContact CG-CD1 4.31Å; F240-L497 HydrophobicContact CG-CD2 3.99Å
241	L	89.1	Confident	90.1	Very high	86 Å²	86	50.1 Å²	50.1	45%	0.45	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-42.1	178.5	-175.9	137.5	0	0	0	110.8	L237 L238 L239 F244 L245	L237-L241 WeakPolarHBondContact O-CB 3.48Å; L237-L241 PolarHBondContact O-N 3.18Å; L238-L241 PolarHBondContact O-N 3.14Å; L239-L241 PolarHBondContact O-N 3.17Å; L241-F244 PolarHBondContact O-N 3.07Å; L241-L245 HydrophobicContact CD2-CD1 3.52Å; L241-L245 HydrophobicContact CD2-CG 4.37Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.26Å
242	V	92.3	Very high	90.5	Very high	95 Å²	95	45.9 Å²	45.9	58%	0.576	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-44.4	173.3	171.4	0	0	0	0	111.3	L238 L239 F240 G246	L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 3.37Å; L239-V242 PolarHBondContact O-N 3.24Å; F240-V242 VanDerWaalsContact C-N 3.33Å; F240-V242 PolarHBondContact O-N 3.18Å; V242-G246 WeakPolarHBondContact O-CA 3.48Å; V242-G246 PolarHBondContact O-N 2.71Å
243	L	92.5	Very high	90.9	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-38.9	177.7	-69.3	171.8	0	0	0	112.4	A128 L239 F240 T247	A128-L243 HydrophobicContact CB-CB 4.36Å; A128-L243 HydrophobicContact CB-CD1 3.84Å; L239-L243 HydrophobicContact CG-CD1 4.23Å; L239-L243 WeakPolarHBondContact O-CG 3.16Å; L239-L243 PolarHBondContact O-N 3.04Å; F240-L243 PolarHBondContact O-N 3.45Å; L243-T247 WeakPolarHBondContact O-CB 3.47Å; L243-T247 VanDerWaalsContact O-CG2 3.3Å; L243-T247 WeakPolarHBondContact O-CG2 3.36Å; L243-T247 PolarHBondContact O-N 2.97Å; L243-T247 PolarHBondContact O-OG1 3.37Å
244	F	92	Very high	91.2	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-46.2	179.3	-77.1	17.5	0	0	0	111	F240 L241 G246 T247 A248 F489 I490 L497	F240-F244 HydrophobicContact CD1-CD1 4.47Å; F240-F244 AromaticContact CD1-CE1 3.78Å; F240-F244 HydrophobicContact CD1-CE1 3.78Å; F240-F244 HydrophobicContact CD1-CZ 4.25Å; F240-F244 WeakPolarHBondContact O-CB 3.23Å; F240-F244 VanDerWaalsContact O-CD1 3.26Å; F240-F244 WeakPolarHBondContact O-CD1 3.35Å; F240-F244 VanDerWaalsContact O-CG 3.32Å; F240-F244 WeakPolarHBondContact O-CG 3.5Å; F240-F244 PolarHBondContact O-N 3.05Å; L241-F244 PolarHBondContact O-N 3.07Å; F244-G246 VanDerWaalsContact C-N 3.33Å; F244-T247 WeakPolarHBondContact CA-OG1 3.42Å; F244-T247 PolarHBondContact O-N 3.32Å; F244-T247 PolarHBondContact O-OG1 3.12Å; F244-A248 WeakPolarHBondContact O-CB 3.41Å; F244-A248 PolarHBondContact O-N 3.46Å; F244-F489 HydrophobicContact CD1-CE1 4.38Å; F244-F489 AromaticContact CE1-CD1 3.9Å; F244-F489 HydrophobicContact CE1-CD1 3.9Å; F244-F489 AromaticContact CE1-CE1 3.46Å; F244-F489 HydrophobicContact CE1-CE1 3.46Å; F244-F489 VanDerWaalsContact CE1-CE1 3.46Å; F244-F489 HydrophobicContact CE1-CZ 4.43Å; F244-F489 HydrophobicContact CZ-CD1 4.28Å; F244-F489 HydrophobicContact CZ-CE1 4.02Å; F244-I490 HydrophobicContact CB-CD1 4.48Å; F244-I490 HydrophobicContact CB-CG1 4.34Å; F244-I490 HydrophobicContact CD1-CG1 4.22Å; F244-I490 HydrophobicContact CD2-CB 4.26Å; F244-I490 HydrophobicContact CD2-CG1 4.02Å; F244-I490 HydrophobicContact CD2-CG2 3.81Å; F244-I490 HydrophobicContact CE2-CB 4.35Å; F244-I490 HydrophobicContact CE2-CG1 4.35Å; F244-I490 HydrophobicContact CE2-CG2 4.14Å; F244-I490 HydrophobicContact CG-CG1 3.93Å; F244-I490 HydrophobicContact CG-CG2 4.47Å; F244-L497 HydrophobicContact CD2-CD1 4.34Å; F244-L497 HydrophobicContact CE2-CD1 3.55Å; F244-L497 HydrophobicContact CZ-CD1 3.8Å
245	L	93.5	Very high	91.6	Very high	114 Å²	114	52.2 Å²	52.2	60%	0.597	31%	0.305	S	S	*	.	H	α-helix	trans	-66.4	-37.6	175.3	-67.9	178.4	0	0	0	111.4	L241 G249	L241-L245 HydrophobicContact CD2-CD1 3.52Å; L241-L245 HydrophobicContact CD2-CG 4.37Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.26Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.97Å
246	G	94.8	Very high	91.9	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-50.5	174.7	0	0	0	0	0	112.2	V242 F244 G249 V250	V242-G246 WeakPolarHBondContact O-CA 3.48Å; V242-G246 PolarHBondContact O-N 2.71Å; F244-G246 VanDerWaalsContact C-N 3.33Å; G246-G249 PolarHBondContact O-N 3.2Å; G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.42Å; G246-V250 PolarHBondContact O-N 3.46Å
247	T	94.2	Very high	92.2	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-47.2	176.8	47.2	0	0	0	0	111.9	M132 L243 F244 V250 Y251	M132-T247 HydrophobicContact CB-CG2 3.86Å; M132-T247 HydrophobicContact CG-CG2 4.38Å; M132-T247 HydrophobicContact SD-CG2 3.63Å; L243-T247 WeakPolarHBondContact O-CB 3.47Å; L243-T247 VanDerWaalsContact O-CG2 3.3Å; L243-T247 WeakPolarHBondContact O-CG2 3.36Å; L243-T247 PolarHBondContact O-N 2.97Å; L243-T247 PolarHBondContact O-OG1 3.37Å; F244-T247 WeakPolarHBondContact CA-OG1 3.42Å; F244-T247 PolarHBondContact O-N 3.32Å; F244-T247 PolarHBondContact O-OG1 3.12Å; T247-V250 PolarHBondContact O-N 2.82Å; T247-Y251 VanDerWaalsContact O-CD2 3.25Å; T247-Y251 WeakPolarHBondContact O-CD2 3.38Å; T247-Y251 PolarHBondContact O-N 3.13Å
248	A	94.7	Very high	92.3	Very high	47 Å²	47	54 Å²	54	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-44.4	177.2	0	0	0	0	0	111.9	F244 Y251 A252	F244-A248 WeakPolarHBondContact O-CB 3.41Å; F244-A248 PolarHBondContact O-N 3.46Å; A248-Y251 PolarHBondContact O-N 3.28Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å
249	G	95.5	Very high	92.4	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-45.5	177.4	0	0	0	0	0	112.4	L245 G246 Y251 A252 L253	L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.97Å; G246-G249 PolarHBondContact O-N 3.2Å; G249-Y251 PolarHBondContact O-N 3.44Å; G249-A252 PolarHBondContact O-N 2.94Å; G249-L253 WeakPolarHBondContact O-CG 3.46Å; G249-L253 PolarHBondContact O-N 2.85Å
250	V	95.2	Very high	92.4	Very high	16 Å²	16	60.2 Å²	60.2	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-44.4	176.7	172.9	0	0	0	0	111.6	M132 A135 M136 F139 G246 T247 A252 L253 I254	M132-V250 HydrophobicContact CE-CG2 3.65Å; A135-V250 HydrophobicContact CB-CB 4.17Å; A135-V250 HydrophobicContact CB-CG1 3.81Å; A135-V250 WeakPolarHBondContact O-CG1 3.3Å; M136-V250 HydrophobicContact SD-CG2 4.02Å; F139-V250 HydrophobicContact CB-CG1 3.73Å; F139-V250 HydrophobicContact CD2-CG1 4.49Å; F139-V250 HydrophobicContact CG-CG1 4.23Å; G246-V250 VanDerWaalsContact O-CG2 3.31Å; G246-V250 WeakPolarHBondContact O-CG2 3.42Å; G246-V250 PolarHBondContact O-N 3.46Å; T247-V250 PolarHBondContact O-N 2.82Å; V250-A252 VanDerWaalsContact C-N 3.35Å; V250-A252 PolarHBondContact O-N 3.41Å; V250-L253 PolarHBondContact O-N 3.36Å; V250-I254 HydrophobicContact CG1-CD1 4.09Å; V250-I254 VanDerWaalsContact O-CG1 3.3Å; V250-I254 WeakPolarHBondContact O-CG1 3.49Å; V250-I254 PolarHBondContact O-N 2.97Å
251	Y	95	Very high	92.2	Very high	24 Å²	24	60.9 Å²	60.9	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-34.3	176.3	-79.7	-62.2	0	0	0	113.1	A135 T247 A248 G249 I254 F255 L482 A483 A486	A135-Y251 HydrophobicContact CB-CD2 4.15Å; A135-Y251 HydrophobicContact CB-CE2 3.66Å; T247-Y251 VanDerWaalsContact O-CD2 3.25Å; T247-Y251 WeakPolarHBondContact O-CD2 3.38Å; T247-Y251 PolarHBondContact O-N 3.13Å; A248-Y251 PolarHBondContact O-N 3.28Å; G249-Y251 PolarHBondContact O-N 3.44Å; Y251-I254 HydrophobicContact CD1-CD1 4Å; Y251-I254 HydrophobicContact CE1-CD1 4.37Å; Y251-I254 PolarHBondContact O-N 3.15Å; Y251-F255 WeakPolarHBondContact O-CB 3.08Å; Y251-F255 PolarHBondContact O-N 2.98Å; Y251-L482 PolarHBondContact OH-O 2.71Å; Y251-A483 HydrophobicContact CD1-CB 3.6Å; Y251-A483 HydrophobicContact CD2-CB 4.46Å; Y251-A483 HydrophobicContact CE1-CB 3.79Å; Y251-A483 HydrophobicContact CG-CB 3.97Å; Y251-A486 HydrophobicContact CD2-CB 4.11Å; Y251-A486 HydrophobicContact CE2-CB 3.53Å
252	A	94.7	Very high	91.9	Very high	49 Å²	49	59.7 Å²	59.7	41%	0.405	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-43.8	172.6	0	0	0	0	0	111.3	A248 G249 V250 I254 F255 L256	A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 2.89Å; G249-A252 PolarHBondContact O-N 2.94Å; V250-A252 VanDerWaalsContact C-N 3.35Å; V250-A252 PolarHBondContact O-N 3.41Å; A252-I254 PolarHBondContact O-N 2.88Å; A252-F255 PolarHBondContact O-N 3.32Å; A252-L256 WeakPolarHBondContact O-CB 3.47Å; A252-L256 VanDerWaalsContact O-CG 3.3Å; A252-L256 WeakPolarHBondContact O-CG 3.47Å; A252-L256 PolarHBondContact O-N 3.09Å
253	L	94.5	Very high	91.4	Very high	94 Å²	94	57.6 Å²	57.6	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-44	174.2	-70.5	173.1	0	0	0	112.1	F139 G249 V250 F255 L256 F257	F139-L253 HydrophobicContact CD2-CB 4.5Å; F139-L253 HydrophobicContact CE2-CB 4.13Å; F139-L253 HydrophobicContact CE2-CD1 4.37Å; G249-L253 WeakPolarHBondContact O-CG 3.46Å; G249-L253 PolarHBondContact O-N 2.85Å; V250-L253 PolarHBondContact O-N 3.36Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-F255 PolarHBondContact O-N 3.47Å; L253-L256 PolarHBondContact O-N 3.01Å; L253-F257 VanDerWaalsContact O-CB 3.29Å; L253-F257 WeakPolarHBondContact O-CB 3.35Å; L253-F257 PolarHBondContact O-N 2.87Å
254	I	92.6	Very high	90.8	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-46.4	174.9	-66.8	165.7	0	0	0	110.3	R138 F139 I142 V250 Y251 A252 F257 V258	R138-I254 HydrophobicContact CB-CD1 3.71Å; F139-I254 HydrophobicContact CB-CD1 4.11Å; F139-I254 HydrophobicContact CB-CG1 4.17Å; F139-I254 HydrophobicContact CD2-CG1 4.03Å; I142-I254 HydrophobicContact CD1-CG2 3.92Å; I142-I254 HydrophobicContact CG2-CG2 4.34Å; V250-I254 HydrophobicContact CG1-CD1 4.09Å; V250-I254 VanDerWaalsContact O-CG1 3.3Å; V250-I254 WeakPolarHBondContact O-CG1 3.49Å; V250-I254 PolarHBondContact O-N 2.97Å; Y251-I254 HydrophobicContact CD1-CD1 4Å; Y251-I254 HydrophobicContact CE1-CD1 4.37Å; Y251-I254 PolarHBondContact O-N 3.15Å; A252-I254 PolarHBondContact O-N 2.88Å; I254-F257 PolarHBondContact O-N 3.21Å; I254-V258 HydrophobicContact CG2-CG2 4.31Å; I254-V258 WeakPolarHBondContact O-CB 3.29Å; I254-V258 WeakPolarHBondContact O-CG2 3.28Å; I254-V258 PolarHBondContact O-N 2.92Å
255	F	93.4	Very high	89.9	Confident	128 Å²	128	58.6 Å²	58.6	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-62	-48.6	179.5	177.3	-95.9	0	0	0	111.6	Y251 A252 L253 F257 V258 W259	Y251-F255 WeakPolarHBondContact O-CB 3.08Å; Y251-F255 PolarHBondContact O-N 2.98Å; A252-F255 PolarHBondContact O-N 3.32Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-F255 PolarHBondContact O-N 3.47Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.39Å; F255-V258 PolarHBondContact O-N 2.68Å; F255-W259 HydrophobicContact CZ-CE3 4.37Å; F255-W259 VanDerWaalsContact O-CB 3.3Å; F255-W259 WeakPolarHBondContact O-CB 3.25Å; F255-W259 PolarHBondContact O-N 3.26Å
256	L	92.8	Very high	89	Confident	105 Å²	105	61.1 Å²	61.1	55%	0.55	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-42.6	177.3	-71.2	173.2	0	0	0	111.6	A252 L253 W259 R260	A252-L256 WeakPolarHBondContact O-CB 3.47Å; A252-L256 VanDerWaalsContact O-CG 3.3Å; A252-L256 WeakPolarHBondContact O-CG 3.47Å; A252-L256 PolarHBondContact O-N 3.09Å; L253-L256 PolarHBondContact O-N 3.01Å; L256-W259 PolarHBondContact O-N 3.04Å; L256-R260 WeakPolarHBondContact O-CB 3.34Å; L256-R260 PolarHBondContact O-N 3.46Å
257	F	90.5	Very high	88.2	Confident	57 Å²	57	67 Å²	67	25%	0.25	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-43.2	176.8	178.8	-96.2	0	0	0	112.3	I142 C143 L253 I254 F255 H261	I142-F257 HydrophobicContact CG2-CD1 4Å; I142-F257 HydrophobicContact CG2-CE1 4.24Å; I142-F257 WeakPolarHBondContact O-CE1 3.22Å; C143-F257 HydrophobicContact CB-CD1 4.29Å; C143-F257 HydrophobicContact CB-CD2 4.48Å; C143-F257 HydrophobicContact CB-CE1 4.5Å; C143-F257 HydrophobicContact CB-CG 4.29Å; L253-F257 VanDerWaalsContact O-CB 3.29Å; L253-F257 WeakPolarHBondContact O-CB 3.35Å; L253-F257 PolarHBondContact O-N 2.87Å; I254-F257 PolarHBondContact O-N 3.21Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.39Å; F257-H261 VanDerWaalsContact O-CB 3.3Å; F257-H261 WeakPolarHBondContact O-CB 3.21Å; F257-H261 PolarHBondContact O-N 3.3Å
258	V	88.2	Confident	87.1	Confident	20 Å²	20	72.2 Å²	72.2	12%	0.121	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-47.3	175.3	171.5	0	0	0	0	110.9	I142 I254 F255 H261 E262 V476	I142-V258 HydrophobicContact CG2-CG2 3.9Å; I254-V258 HydrophobicContact CG2-CG2 4.31Å; I254-V258 WeakPolarHBondContact O-CB 3.29Å; I254-V258 WeakPolarHBondContact O-CG2 3.28Å; I254-V258 PolarHBondContact O-N 2.92Å; F255-V258 PolarHBondContact O-N 2.68Å; V258-H261 PolarHBondContact O-N 2.87Å; V258-E262 HydrophobicContact CG1-CG 4.32Å; V258-E262 WeakPolarHBondContact O-CB 3.46Å; V258-E262 WeakPolarHBondContact O-CG 3.25Å; V258-E262 PolarHBondContact O-N 2.96Å; V258-V476 HydrophobicContact CG1-CG1 3.95Å; V258-V476 HydrophobicContact CG2-CG1 4.27Å; V258-V476 HydrophobicContact CG2-CG2 4.03Å
259	W	89	Confident	85.9	Confident	168 Å²	168	71 Å²	71	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-48.8	177.8	179.2	-92.3	0	0	0	112.1	F255 L256 H261 E262 S263	F255-W259 HydrophobicContact CZ-CE3 4.37Å; F255-W259 VanDerWaalsContact O-CB 3.3Å; F255-W259 WeakPolarHBondContact O-CB 3.25Å; F255-W259 PolarHBondContact O-N 3.26Å; L256-W259 PolarHBondContact O-N 3.04Å; W259-H261 VanDerWaalsContact C-N 3.34Å; W259-H261 PolarHBondContact O-N 2.93Å; W259-E262 PolarHBondContact O-N 3.49Å; W259-S263 WeakPolarHBondContact O-CB 3.26Å; W259-S263 PolarHBondContact O-N 2.9Å; W259-S263 PolarHBondContact O-OG 3.32Å
260	R	88.8	Confident	84.4	Confident	139 Å²	139	70.4 Å²	70.4	53%	0.525	33%	0.33	S	S	.	.	H	α-helix	trans	-57.5	-47	176.8	-178.9	86.5	175.7	116.4	-1	111.1	L256 S263 F264	L256-R260 WeakPolarHBondContact O-CB 3.34Å; L256-R260 PolarHBondContact O-N 3.46Å; R260-S263 PolarHBondContact O-N 2.89Å; R260-F264 WeakPolarHBondContact O-CB 3.12Å; R260-F264 PolarHBondContact O-N 3.28Å
261	H	82.3	Confident	82.3	Confident	20 Å²	20	76.1 Å²	76.1	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-47.2	-178.6	178	-88.2	0	0	0	112.6	F257 V258 W259 S263 F264 M265 E469 R472	F257-H261 VanDerWaalsContact O-CB 3.3Å; F257-H261 WeakPolarHBondContact O-CB 3.21Å; F257-H261 PolarHBondContact O-N 3.3Å; V258-H261 PolarHBondContact O-N 2.87Å; W259-H261 VanDerWaalsContact C-N 3.34Å; W259-H261 PolarHBondContact O-N 2.93Å; H261-S263 VanDerWaalsContact C-N 3.29Å; H261-S263 PolarHBondContact O-N 3.43Å; H261-F264 PolarHBondContact O-N 2.87Å; H261-M265 VanDerWaalsContact CE1-CE 3.47Å; H261-M265 WeakPolarHBondContact CE1-CE 3.31Å; H261-M265 WeakPolarHBondContact NE2-CE 3.27Å; H261-M265 WeakPolarHBondContact O-CB 3.33Å; H261-M265 VanDerWaalsContact O-CG 3.29Å; H261-M265 WeakPolarHBondContact O-CG 3.37Å; H261-M265 PolarHBondContact O-N 2.97Å; H261-E469 IonicContact CE1-OE2 3.29Å; H261-E469 PolarHBondContact CE1-OE2 3.19Å; H261-E469 VanDerWaalsContact CE1-OE2 3.31Å; H261-E469 IonicContact ND1-OE2 3.31Å; H261-R472 PolarHBondContact CD2-NH1 3.27Å; H261-R472 PolarHBondContact CE1-NH1 3.47Å; H261-R472 PolarHBondContact ND1-NH1 3.48Å; H261-R472 VanDerWaalsContact ND1-NH1 3.14Å; H261-R472 PolarHBondContact NE2-NH1 3.39Å
262	E	82.8	Confident	80.1	Confident	60 Å²	60	80 Å²	80	28%	0.28	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-40.9	176.4	-71.8	-84.9	166	0	0	111.2	V258 W259 M265 Y266 H282	V258-E262 HydrophobicContact CG1-CG 4.32Å; V258-E262 WeakPolarHBondContact O-CB 3.46Å; V258-E262 WeakPolarHBondContact O-CG 3.25Å; V258-E262 PolarHBondContact O-N 2.96Å; W259-E262 PolarHBondContact O-N 3.49Å; E262-M265 PolarHBondContact O-N 3.16Å; E262-Y266 WeakPolarHBondContact O-CB 3.38Å; E262-Y266 PolarHBondContact O-N 3.27Å; E262-H282 IonicContact OE2-CE1 2.85Å
263	S	81.7	Confident	77.8	Confident	52 Å²	52	86.8 Å²	86.8	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-45.3	176.2	-57	0	0	0	0	111.9	W259 R260 H261 Y266 E267	W259-S263 WeakPolarHBondContact O-CB 3.26Å; W259-S263 PolarHBondContact O-N 2.9Å; W259-S263 PolarHBondContact O-OG 3.32Å; R260-S263 PolarHBondContact O-N 2.89Å; H261-S263 VanDerWaalsContact C-N 3.29Å; H261-S263 PolarHBondContact O-N 3.43Å; S263-Y266 PolarHBondContact O-N 3.37Å; S263-E267 PolarHBondContact O-N 2.9Å
264	F	81.8	Confident	75.5	Confident	61 Å²	61	86.1 Å²	86.1	27%	0.268	41%	0.406	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.3	178.9	-100.7	0	0	0	112.4	R260 H261 Y266 E267 K268 L387	R260-F264 WeakPolarHBondContact O-CB 3.12Å; R260-F264 PolarHBondContact O-N 3.28Å; H261-F264 PolarHBondContact O-N 2.87Å; F264-Y266 VanDerWaalsContact C-N 3.32Å; F264-Y266 PolarHBondContact O-N 3.25Å; F264-E267 PolarHBondContact O-N 3.46Å; F264-K268 HydrophobicContact CE1-CD 4.16Å; F264-K268 HydrophobicContact CZ-CD 4.09Å; F264-K268 WeakPolarHBondContact O-CB 3.43Å; F264-K268 PolarHBondContact O-N 2.9Å; F264-L387 HydrophobicContact CE1-CD1 4.18Å
265	M	73.1	Confident	73.2	Confident	3 Å²	3	92.7 Å²	92.7	2%	0.015	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-38.6	175.8	-71.9	-64.3	175.5	0	0	111.6	H261 E262 Y269 L387 A465	H261-M265 VanDerWaalsContact CE1-CE 3.47Å; H261-M265 WeakPolarHBondContact CE1-CE 3.31Å; H261-M265 WeakPolarHBondContact NE2-CE 3.27Å; H261-M265 WeakPolarHBondContact O-CB 3.33Å; H261-M265 VanDerWaalsContact O-CG 3.29Å; H261-M265 WeakPolarHBondContact O-CG 3.37Å; H261-M265 PolarHBondContact O-N 2.97Å; E262-M265 PolarHBondContact O-N 3.16Å; M265-Y269 WeakPolarHBondContact O-CB 3.48Å; M265-Y269 PolarHBondContact O-N 3.4Å; M265-Y269 HydrophobicContact SD-CD2 3.69Å; M265-Y269 HydrophobicContact SD-CE2 3.52Å; M265-Y269 VanDerWaalsContact SD-CE2 3.52Å; M265-L387 HydrophobicContact CE-CD2 4.21Å; M265-A465 HydrophobicContact SD-CB 4.41Å
266	Y	74.6	Confident	70.6	Confident	167 Å²	167	89 Å²	89	66%	0.655	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-39.7	175.1	-173.4	-93.4	0	0	0	112.2	E262 S263 F264 G270	E262-Y266 WeakPolarHBondContact O-CB 3.38Å; E262-Y266 PolarHBondContact O-N 3.27Å; S263-Y266 PolarHBondContact O-N 3.37Å; F264-Y266 VanDerWaalsContact C-N 3.32Å; F264-Y266 PolarHBondContact O-N 3.25Å; Y266-G270 WeakPolarHBondContact O-CA 3.47Å; Y266-G270 PolarHBondContact O-N 2.98Å
267	E	77.4	Confident	68.2	Low	152 Å²	152	87.4 Å²	87.4	71%	0.71	43%	0.425	S	S	*	.	H	α-helix	trans	-68.3	-45.6	177.5	-169.4	178	179.2	0	0	112.1	S263 F264	S263-E267 PolarHBondContact O-N 2.9Å; F264-E267 PolarHBondContact O-N 3.46Å
268	K	70.8	Confident	65.7	Low	114 Å²	114	87 Å²	87	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-77	-35.9	-175.6	-169	172.3	-179.4	177.8	0	113.8	F264	F264-K268 HydrophobicContact CE1-CD 4.16Å; F264-K268 HydrophobicContact CZ-CD 4.09Å; F264-K268 WeakPolarHBondContact O-CB 3.43Å; F264-K268 PolarHBondContact O-N 2.9Å
269	Y	69.2	Low	63.4	Low	22 Å²	22	90.6 Å²	90.6	9%	0.086	44%	0.443	C	S	.	.	H	α-helix	trans	-122.5	-9.9	-172.5	-55.3	-68.1	0	0	0	114.3	M265 N271 I461 E462 A465	M265-Y269 WeakPolarHBondContact O-CB 3.48Å; M265-Y269 PolarHBondContact O-N 3.4Å; M265-Y269 HydrophobicContact SD-CD2 3.69Å; M265-Y269 HydrophobicContact SD-CE2 3.52Å; M265-Y269 VanDerWaalsContact SD-CE2 3.52Å; Y269-N271 VanDerWaalsContact C-N 3.32Å; Y269-N271 PolarHBondContact O-N 3.45Å; Y269-I461 HydrophobicContact CE1-CG2 4.48Å; Y269-I461 VanDerWaalsContact OH-CG2 3.29Å; Y269-I461 WeakPolarHBondContact OH-CG2 3.38Å; Y269-E462 HydrophobicContact CD1-CB 4.45Å; Y269-E462 HydrophobicContact CD1-CG 3.62Å; Y269-E462 HydrophobicContact CE1-CB 4.33Å; Y269-E462 HydrophobicContact CE1-CG 3.62Å; Y269-A465 HydrophobicContact CD2-CB 4.31Å; Y269-A465 HydrophobicContact CE1-CB 4.41Å; Y269-A465 HydrophobicContact CE2-CB 3.55Å
270	G	63.4	Low	60.9	Low	19 Å²	19	90.1 Å²	90.1	20%	0.196	44%	0.441	C	S	.	.	S	Bend	trans	-79.8	-10.8	-177.5	0	0	0	0	0	114.4	Y266	Y266-G270 WeakPolarHBondContact O-CA 3.47Å; Y266-G270 PolarHBondContact O-N 2.98Å
271	N	52.5	Low	59	Low	137 Å²	137	86.6 Å²	86.6	73%	0.733	43%	0.432	S	S	*	.	S	Bend	trans	-108.6	115.4	-177.2	-120.1	-3.9	0	0	0	112.2	Y269	Y269-N271 VanDerWaalsContact C-N 3.32Å; Y269-N271 PolarHBondContact O-N 3.45Å
272	S	48.7	Very low	57	Low	104 Å²	104	89.8 Å²	89.8	73%	0.727	45%	0.447	S	S	*	.	S	Bend	trans	88.3	124.5	174.4	86.7	0	0	0	0	117.6	M274	S272-M274 VanDerWaalsContact C-N 3.33Å; S272-M274 PolarHBondContact O-N 3.32Å
273	K	46.5	Very low	54.7	Low	193 Å²	193	89.4 Å²	89.4	84%	0.839	45%	0.454	S	S	*	.	S	Bend	trans	63.6	-24.1	172.6	-68.6	-176.5	176.2	-179.9	0	120.7
274	M	45.6	Very low	52.5	Low	79 Å²	79	91.7 Å²	91.7	39%	0.389	47%	0.466	S	S	.	.			trans	-100.2	2.9	-177.7	-93.4	-92.3	167.8	0	0	115.9	S272 G276 N277 W278	S272-M274 VanDerWaalsContact C-N 3.33Å; S272-M274 PolarHBondContact O-N 3.32Å; M274-G276 PolarHBondContact O-N 3.37Å; M274-N277 HydrophobicContact CE-CB 4.47Å; M274-N277 PolarHBondContact O-N 3.04Å; M274-N277 HydrophobicContact SD-CB 3.57Å; M274-N277 VanDerWaalsContact SD-CB 3.57Å; M274-W278 PolarHBondContact O-N 2.9Å
275	K	44.1	Very low	50.2	Low	146 Å²	146	94.1 Å²	94.1	64%	0.635	49%	0.488	S	S	*	.	H	α-helix	trans	-49.7	-33.5	177.9	-122.1	175.6	-176.4	174	0	112.8	V279	K275-V279 WeakPolarHBondContact O-CB 3.07Å; K275-V279 WeakPolarHBondContact O-CG2 3.35Å; K275-V279 PolarHBondContact O-N 2.92Å
276	G	39.7	Very low	48.2	Very low	50 Å²	50	100.3 Å²	100.3	52%	0.515	52%	0.521	S	S	.	.	H	α-helix	trans	-74.2	-28	177.3	0	0	0	0	0	115.6	M274 R280	M274-G276 PolarHBondContact O-N 3.37Å; G276-R280 WeakPolarHBondContact O-CB 3.45Å
277	N	41.5	Very low	46.1	Very low	72 Å²	72	97.8 Å²	97.8	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-96.9	-37.1	-178	-93.8	-7.1	0	0	0	112.4	M274 R280 I281	M274-N277 HydrophobicContact CE-CB 4.47Å; M274-N277 PolarHBondContact O-N 3.04Å; M274-N277 HydrophobicContact SD-CB 3.57Å; M274-N277 VanDerWaalsContact SD-CB 3.57Å; N277-R280 WeakPolarHBondContact O-CB 3.48Å; N277-R280 PolarHBondContact O-N 3.27Å; N277-R280 VanDerWaalsContact O-N 3.16Å; N277-I281 VanDerWaalsContact O-CG1 3.28Å; N277-I281 WeakPolarHBondContact O-CG1 3.45Å; N277-I281 PolarHBondContact O-N 3.27Å; N277-I281 VanDerWaalsContact O-N 3.1Å
278	W	38.5	Very low	44	Very low	49 Å²	49	95 Å²	95	19%	0.186	53%	0.525	C	S	.	.	H	α-helix	trans	-66.5	-39.7	173.2	-95.8	82.3	0	0	0	111.8	M274 R280 I281 H282 E469	M274-W278 PolarHBondContact O-N 2.9Å; W278-R280 VanDerWaalsContact C-N 3.26Å; W278-R280 PolarHBondContact O-N 3.47Å; W278-I281 PolarHBondContact O-N 3.43Å; W278-I281 VanDerWaalsContact O-N 3.16Å; W278-H282 AromaticContact CE3-NE2 3.72Å; W278-H282 AromaticContact CZ3-NE2 3.72Å; W278-H282 PolarHBondContact O-CD2 2.86Å; W278-H282 PolarHBondContact O-N 3.47Å; W278-E469 HydrophobicContact CH2-CB 4.36Å; W278-E469 HydrophobicContact CH2-CG 3.97Å; W278-E469 HydrophobicContact CZ3-CG 4.19Å
279	V	39.4	Very low	42.1	Very low	95 Å²	95	95.6 Å²	95.6	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-63.5	-32	171.5	173.3	0	0	0	0	111.4	K275 I281 H282 A283	K275-V279 WeakPolarHBondContact O-CB 3.07Å; K275-V279 WeakPolarHBondContact O-CG2 3.35Å; K275-V279 PolarHBondContact O-N 2.92Å; V279-I281 VanDerWaalsContact C-N 3.34Å; V279-I281 PolarHBondContact O-N 3.09Å; V279-H282 PolarHBondContact O-N 2.91Å; V279-A283 VanDerWaalsContact O-CB 3.24Å; V279-A283 WeakPolarHBondContact O-CB 3.5Å; V279-A283 PolarHBondContact O-N 2.64Å
280	R	37.6	Very low	40.3	Very low	158 Å²	158	101.4 Å²	101.4	60%	0.596	57%	0.571	S	S	*	*	H	α-helix	trans	-72.6	-24	176	-159.9	-179.6	-61.4	174.6	0.2	113.6	G276 N277 W278	G276-R280 WeakPolarHBondContact O-CB 3.45Å; N277-R280 WeakPolarHBondContact O-CB 3.48Å; N277-R280 PolarHBondContact O-N 3.27Å; N277-R280 VanDerWaalsContact O-N 3.16Å; W278-R280 VanDerWaalsContact C-N 3.26Å; W278-R280 PolarHBondContact O-N 3.47Å
281	I	47.5	Very low	38.8	Very low	66 Å²	66	105.3 Å²	105.3	34%	0.338	59%	0.586	S	S	.	*	H	α-helix	trans	-83.3	-24.4	175.3	-60.3	162.6	0	0	0	111.2	N277 W278 V279	N277-I281 VanDerWaalsContact O-CG1 3.28Å; N277-I281 WeakPolarHBondContact O-CG1 3.45Å; N277-I281 PolarHBondContact O-N 3.27Å; N277-I281 VanDerWaalsContact O-N 3.1Å; W278-I281 PolarHBondContact O-N 3.43Å; W278-I281 VanDerWaalsContact O-N 3.16Å; V279-I281 VanDerWaalsContact C-N 3.34Å; V279-I281 PolarHBondContact O-N 3.09Å
282	H	40.2	Very low	37.8	Very low	86 Å²	86	104.2 Å²	104.2	40%	0.398	58%	0.58	S	S	.	*	H	α-helix	trans	-96.2	-21.6	175	-75.2	-99.8	0	0	0	114.1	E262 W278 V279 K473	E262-H282 IonicContact OE2-CE1 2.85Å; W278-H282 AromaticContact CE3-NE2 3.72Å; W278-H282 AromaticContact CZ3-NE2 3.72Å; W278-H282 PolarHBondContact O-CD2 2.86Å; W278-H282 PolarHBondContact O-N 3.47Å; V279-H282 PolarHBondContact O-N 2.91Å; H282-K473 PolarHBondContact CD2-NZ 3.32Å; H282-K473 VanDerWaalsContact CD2-NZ 3.25Å; H282-K473 WeakPolarHBondContact CE1-CE 3.38Å; H282-K473 PolarHBondContact CE1-NZ 2.96Å; H282-K473 VanDerWaalsContact CE1-NZ 3.26Å; H282-K473 WeakPolarHBondContact NE2-CE 3.4Å; H282-K473 PolarHBondContact NE2-NZ 2.91Å
283	A	35.5	Very low	37.4	Very low	52 Å²	52	103.3 Å²	103.3	43%	0.43	57%	0.57	S	S	.	*	S	Bend	trans	-68	130.9	163.5	0	0	0	0	0	108.7	V279	V279-A283 VanDerWaalsContact O-CB 3.24Å; V279-A283 WeakPolarHBondContact O-CB 3.5Å; V279-A283 PolarHBondContact O-N 2.64Å
284	T	34.9	Very low	37.2	Very low	100 Å²	100	98.8 Å²	98.8	61%	0.613	56%	0.558	S	S	*	*			trans	-42.5	141.2	163.9	46.3	0	0	0	0	110.1	N286	T284-N286 PolarHBondContact O-N 3.32Å
285	P	34.4	Very low	36.9	Very low	113 Å²	113	101.8 Å²	101.8	73%	0.734	57%	0.569	S	S	*	*			trans	-69.1	81.4	176.1	30.1	-33	0	0	0	108.8
286	N	31.1	Very low	36.8	Very low	133 Å²	133	101.8 Å²	101.8	71%	0.711	57%	0.565	S	S	*	*			trans	-84.6	104.2	153.9	-81.8	-8.4	0	0	0	105.3	T284	T284-N286 PolarHBondContact O-N 3.32Å
287	S	30	Very low	37.1	Very low	114 Å²	114	103.3 Å²	103.3	80%	0.797	56%	0.561	S	S	*	*	S	Bend	trans	54.7	74.3	148.8	64.2	0	0	0	0	117.6
288	S	32.3	Very low	37.6	Very low	92 Å²	92	103.4 Å²	103.4	64%	0.643	57%	0.568	S	S	*	*			trans	-161.7	49.6	147.4	71	0	0	0	0	111
289	T	32.2	Very low	38.4	Very low	127 Å²	127	104.5 Å²	104.5	78%	0.779	58%	0.577	S	S	*	*	S	Bend	trans	-104.2	119.9	147.7	37.9	0	0	0	0	104.6	M291	T289-M291 PolarHBondContact O-N 3.17Å
290	D	30.7	Very low	39.3	Very low	145 Å²	145	106.5 Å²	106.5	78%	0.775	58%	0.578	S	S	*	*			trans	-54.5	78.7	163.3	-80	-49.5	0	0	0	109.5	N292 V293	D290-N292 PolarHBondContact O-N 3.36Å; D290-N292 VanDerWaalsContact O-N 3.11Å; D290-V293 WeakPolarHBondContact OD1-CG2 3.44Å
291	M	31.8	Very low	40.3	Very low	101 Å²	101	106.6 Å²	106.6	50%	0.498	58%	0.582	S	S	.	*	S	Bend	trans	-84.1	68.6	164.5	-161.5	-156.8	75.5	0	0	105.4	T289 W296	T289-M291 PolarHBondContact O-N 3.17Å; M291-W296 HydrophobicContact CE-CB 4.16Å; M291-W296 HydrophobicContact CE-CE3 3.78Å
292	N	31.6	Very low	40.7	Very low	114 Å²	114	112.5 Å²	112.5	61%	0.61	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	33.4	92.8	-174.7	-104.2	-15.6	0	0	0	111.7	D290 T294 K295 W296	D290-N292 PolarHBondContact O-N 3.36Å; D290-N292 VanDerWaalsContact O-N 3.11Å; N292-T294 CarbonylContact O-C 3.46Å; N292-T294 PolarHBondContact O-N 3.29Å; N292-K295 HydrophobicContact CB-CB 4.08Å; N292-K295 PolarHBondContact O-N 2.85Å; N292-W296 PolarHBondContact O-N 3.5Å
293	V	40.3	Very low	41.3	Very low	85 Å²	85	113.6 Å²	113.6	52%	0.515	61%	0.608	S	S	.	*	H	α-helix	trans	-45	-26.8	179.7	173.1	0	0	0	0	112.5	D290 N297	D290-V293 WeakPolarHBondContact OD1-CG2 3.44Å; V293-N297 WeakPolarHBondContact CG1-ND2 3.14Å; V293-N297 WeakPolarHBondContact O-CB 3.45Å; V293-N297 PolarHBondContact O-N 3.37Å; V293-N297 VanDerWaalsContact O-N 3.12Å; V293-N297 PolarHBondContact O-ND2 3.18Å; V293-N297 VanDerWaalsContact O-ND2 3.09Å
294	T	41.7	Very low	42.7	Very low	98 Å²	98	114 Å²	114	60%	0.601	61%	0.607	S	S	*	*	H	α-helix	trans	-66.2	-41.3	170	52.2	0	0	0	0	115.8	N292 S298	N292-T294 CarbonylContact O-C 3.46Å; N292-T294 PolarHBondContact O-N 3.29Å; T294-S298 WeakPolarHBondContact O-CB 3.07Å; T294-S298 PolarHBondContact O-N 2.78Å; T294-S298 VanDerWaalsContact O-N 3.07Å; T294-S298 PolarHBondContact O-OG 3.18Å
295	K	40.6	Very low	43.9	Very low	142 Å²	142	115.9 Å²	115.9	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-78.1	-38.8	-177.6	-158.2	171.6	-172.6	174.3	0	112.2	N292 S298 I299	N292-K295 HydrophobicContact CB-CB 4.08Å; N292-K295 PolarHBondContact O-N 2.85Å; K295-S298 PolarHBondContact O-N 2.86Å; K295-I299 WeakPolarHBondContact O-CG1 3.4Å; K295-I299 PolarHBondContact O-N 3.22Å
296	W	40.8	Very low	45	Very low	146 Å²	146	119.6 Å²	119.6	55%	0.553	61%	0.607	S	S	*	*	H	α-helix	trans	-72.2	-40	173.9	-171.4	-109	0	0	0	112.1	M291 N292 S298 I299 K300	M291-W296 HydrophobicContact CE-CB 4.16Å; M291-W296 HydrophobicContact CE-CE3 3.78Å; N292-W296 PolarHBondContact O-N 3.5Å; W296-S298 VanDerWaalsContact C-N 3.28Å; W296-S298 PolarHBondContact O-N 2.72Å; W296-I299 PolarHBondContact O-N 3.25Å; W296-K300 WeakPolarHBondContact O-CB 3.44Å; W296-K300 PolarHBondContact O-N 3.1Å
297	N	45.6	Very low	46.2	Very low	81 Å²	81	119.8 Å²	119.8	43%	0.433	60%	0.601	S	S	.	*	H	α-helix	trans	-64.3	-32.3	173.1	-75	-19.8	0	0	0	112.3	V293 K301	V293-N297 WeakPolarHBondContact CG1-ND2 3.14Å; V293-N297 WeakPolarHBondContact O-CB 3.45Å; V293-N297 PolarHBondContact O-N 3.37Å; V293-N297 VanDerWaalsContact O-N 3.12Å; V293-N297 PolarHBondContact O-ND2 3.18Å; V293-N297 VanDerWaalsContact O-ND2 3.09Å; N297-K301 VanDerWaalsContact O-CB 3.26Å; N297-K301 WeakPolarHBondContact O-CB 3.37Å; N297-K301 PolarHBondContact O-N 3.29Å
298	S	53.8	Low	47.8	Very low	74 Å²	74	121.1 Å²	121.1	52%	0.517	59%	0.593	S	S	.	*	H	α-helix	trans	-66.3	-38.7	173	-68.5	0	0	0	0	112.9	T294 K295 W296 R302	T294-S298 WeakPolarHBondContact O-CB 3.07Å; T294-S298 PolarHBondContact O-N 2.78Å; T294-S298 VanDerWaalsContact O-N 3.07Å; T294-S298 PolarHBondContact O-OG 3.18Å; K295-S298 PolarHBondContact O-N 2.86Å; W296-S298 VanDerWaalsContact C-N 3.28Å; W296-S298 PolarHBondContact O-N 2.72Å; S298-R302 WeakPolarHBondContact O-CB 3.23Å; S298-R302 PolarHBondContact O-N 3.06Å
299	I	54.6	Low	49.1	Very low	73 Å²	73	120.9 Å²	120.9	37%	0.374	58%	0.584	S	S	.	*	H	α-helix	trans	-73.1	-41	176.7	-65.7	167.4	0	0	0	110.6	K295 W296 R302 I303	K295-I299 WeakPolarHBondContact O-CG1 3.4Å; K295-I299 PolarHBondContact O-N 3.22Å; W296-I299 PolarHBondContact O-N 3.25Å; I299-R302 PolarHBondContact O-N 3.15Å; I299-I303 HydrophobicContact CG2-CD1 3.76Å; I299-I303 HydrophobicContact CG2-CG1 4.43Å; I299-I303 VanDerWaalsContact O-CG1 3.27Å; I299-I303 WeakPolarHBondContact O-CG1 3.3Å; I299-I303 PolarHBondContact O-N 2.89Å
300	K	58.2	Low	50	Low	137 Å²	137	122.8 Å²	122.8	60%	0.596	58%	0.581	S	S	*	*	H	α-helix	trans	-66.5	-39.7	176.5	-144.1	-179.9	-175	-172.7	0	111.7	W296 I303 S304	W296-K300 WeakPolarHBondContact O-CB 3.44Å; W296-K300 PolarHBondContact O-N 3.1Å; K300-I303 PolarHBondContact O-N 2.95Å; K300-S304 WeakPolarHBondContact O-CB 3.48Å; K300-S304 PolarHBondContact O-N 3.28Å
301	K	57.6	Low	51.2	Low	160 Å²	160	120.4 Å²	120.4	70%	0.696	57%	0.565	S	S	*	*	H	α-helix	trans	-60.9	-46.6	168.9	-89.9	-174.5	173.9	-179.8	0	111.2	N297 I303 S304 F305	N297-K301 VanDerWaalsContact O-CB 3.26Å; N297-K301 WeakPolarHBondContact O-CB 3.37Å; N297-K301 PolarHBondContact O-N 3.29Å; K301-I303 VanDerWaalsContact C-N 3.35Å; K301-I303 PolarHBondContact O-N 3.25Å; K301-S304 PolarHBondContact O-N 3.07Å; K301-S304 PolarHBondContact O-OG 3.27Å; K301-F305 WeakPolarHBondContact O-CB 3.26Å; K301-F305 PolarHBondContact O-N 3.26Å
302	R	56.5	Low	52.2	Low	190 Å²	190	118.7 Å²	118.7	72%	0.717	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-37.2	176.1	-93.5	-176.7	-176.3	171.4	2.8	113.6	S298 I299 R306	S298-R302 WeakPolarHBondContact O-CB 3.23Å; S298-R302 PolarHBondContact O-N 3.06Å; I299-R302 PolarHBondContact O-N 3.15Å; R302-R306 WeakPolarHBondContact O-CB 3.35Å; R302-R306 WeakPolarHBondContact O-CG 3.37Å; R302-R306 PolarHBondContact O-N 2.82Å
303	I	54.3	Low	53	Low	109 Å²	109	117.5 Å²	117.5	56%	0.559	56%	0.557	S	S	*	*	H	α-helix	trans	-74	-42.5	178.1	-65.6	165.9	0	0	0	110.5	I299 K300 K301 R306 K307	I299-I303 HydrophobicContact CG2-CD1 3.76Å; I299-I303 HydrophobicContact CG2-CG1 4.43Å; I299-I303 VanDerWaalsContact O-CG1 3.27Å; I299-I303 WeakPolarHBondContact O-CG1 3.3Å; I299-I303 PolarHBondContact O-N 2.89Å; K300-I303 PolarHBondContact O-N 2.95Å; K301-I303 VanDerWaalsContact C-N 3.35Å; K301-I303 PolarHBondContact O-N 3.25Å; I303-R306 PolarHBondContact O-N 2.87Å; I303-K307 WeakPolarHBondContact O-CB 3.39Å; I303-K307 PolarHBondContact O-N 2.91Å
304	S	63.3	Low	53.2	Low	59 Å²	59	116.2 Å²	116.2	41%	0.413	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-35.7	176	87.3	0	0	0	0	112.4	K300 K301 K307 K308	K300-S304 WeakPolarHBondContact O-CB 3.48Å; K300-S304 PolarHBondContact O-N 3.28Å; K301-S304 PolarHBondContact O-N 3.07Å; K301-S304 PolarHBondContact O-OG 3.27Å; S304-K307 PolarHBondContact O-N 3.24Å; S304-K308 WeakPolarHBondContact O-CB 3.28Å; S304-K308 WeakPolarHBondContact O-CG 3.29Å; S304-K308 PolarHBondContact O-N 3.1Å
305	F	60.9	Low	53.6	Low	141 Å²	141	116.1 Å²	116.1	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-67.6	-40.8	175.4	-167.8	-97.2	0	0	0	110.9	K301 K307 K308 L309	K301-F305 WeakPolarHBondContact O-CB 3.26Å; K301-F305 PolarHBondContact O-N 3.26Å; F305-K307 VanDerWaalsContact C-N 3.32Å; F305-K307 PolarHBondContact O-N 3.33Å; F305-K308 PolarHBondContact O-N 2.99Å; F305-L309 HydrophobicContact CD1-CD1 4.33Å; F305-L309 HydrophobicContact CE1-CD1 3.72Å; F305-L309 HydrophobicContact CZ-CD1 4.02Å; F305-L309 WeakPolarHBondContact O-CB 3.09Å; F305-L309 PolarHBondContact O-N 3.45Å
306	R	56.4	Low	53.9	Low	190 Å²	190	114.8 Å²	114.8	72%	0.717	54%	0.543	S	S	*	.	H	α-helix	trans	-68.1	-28.8	172.8	-78.9	-178.3	176.8	177.7	0.3	113.6	R302 I303 K310	R302-R306 WeakPolarHBondContact O-CB 3.35Å; R302-R306 WeakPolarHBondContact O-CG 3.37Å; R302-R306 PolarHBondContact O-N 2.82Å; I303-R306 PolarHBondContact O-N 2.87Å; R306-K310 WeakPolarHBondContact O-CB 3.47Å; R306-K310 PolarHBondContact O-N 3.01Å; R306-K310 VanDerWaalsContact O-N 3.1Å
307	K	57.5	Low	53.9	Low	137 Å²	137	112.4 Å²	112.4	60%	0.596	54%	0.541	S	S	*	.	H	α-helix	trans	-73.3	-45.3	174.1	-137.1	-177.3	-179.1	-162.8	0	110.7	I303 S304 F305 L309 K310 E311	I303-K307 WeakPolarHBondContact O-CB 3.39Å; I303-K307 PolarHBondContact O-N 2.91Å; S304-K307 PolarHBondContact O-N 3.24Å; F305-K307 VanDerWaalsContact C-N 3.32Å; F305-K307 PolarHBondContact O-N 3.33Å; K307-L309 PolarHBondContact O-N 3.33Å; K307-K310 PolarHBondContact O-N 2.9Å; K307-E311 WeakPolarHBondContact O-CB 3.46Å; K307-E311 PolarHBondContact O-N 3.06Å
308	K	63.6	Low	53.9	Low	142 Å²	142	113.1 Å²	113.1	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-35.3	171.7	-75.9	-171.6	175.8	-168.3	0	113.2	S304 F305 S312	S304-K308 WeakPolarHBondContact O-CB 3.28Å; S304-K308 WeakPolarHBondContact O-CG 3.29Å; S304-K308 PolarHBondContact O-N 3.1Å; F305-K308 PolarHBondContact O-N 2.99Å; K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.42Å; K308-S312 PolarHBondContact O-N 3.12Å
309	L	59.5	Low	53.4	Low	88 Å²	88	116.1 Å²	116.1	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-71.3	-34.6	174.9	-137.9	91.5	0	0	0	111.9	F305 K307 N313	F305-L309 HydrophobicContact CD1-CD1 4.33Å; F305-L309 HydrophobicContact CE1-CD1 3.72Å; F305-L309 HydrophobicContact CZ-CD1 4.02Å; F305-L309 WeakPolarHBondContact O-CB 3.09Å; F305-L309 PolarHBondContact O-N 3.45Å; K307-L309 PolarHBondContact O-N 3.33Å; L309-N313 VanDerWaalsContact O-CB 3.29Å; L309-N313 WeakPolarHBondContact O-CB 3.21Å; L309-N313 PolarHBondContact O-N 3.47Å; L309-N313 PolarHBondContact O-OD1 3.43Å
310	K	51.7	Low	52.7	Low	167 Å²	167	118.3 Å²	118.3	73%	0.726	56%	0.555	S	S	*	*	H	α-helix	trans	-72.4	-38	173.5	-87.2	-170.4	169.2	-158.8	0	112.3	R306 K307 S314	R306-K310 WeakPolarHBondContact O-CB 3.47Å; R306-K310 PolarHBondContact O-N 3.01Å; R306-K310 VanDerWaalsContact O-N 3.1Å; K307-K310 PolarHBondContact O-N 2.9Å; K310-S314 VanDerWaalsContact O-CB 3.29Å; K310-S314 WeakPolarHBondContact O-CB 3.39Å; K310-S314 PolarHBondContact O-N 3.44Å; K310-S314 PolarHBondContact O-OG 3.17Å; K310-S314 VanDerWaalsContact O-OG 3.08Å
311	E	55	Low	51.8	Low	94 Å²	94	117.4 Å²	117.4	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-70.5	-39.3	174.1	-79.8	163.9	-176.8	0	0	111.2	K307 S314 L315	K307-E311 WeakPolarHBondContact O-CB 3.46Å; K307-E311 PolarHBondContact O-N 3.06Å; E311-S314 WeakPolarHBondContact CA-OG 3.43Å; E311-S314 PolarHBondContact O-N 3.08Å; E311-S314 PolarHBondContact O-OG 3.4Å; E311-S314 VanDerWaalsContact O-OG 3.06Å; E311-L315 WeakPolarHBondContact O-CB 3.31Å; E311-L315 WeakPolarHBondContact O-CD1 3.29Å; E311-L315 VanDerWaalsContact O-CG 3.3Å; E311-L315 WeakPolarHBondContact O-CG 3.42Å; E311-L315 PolarHBondContact O-N 3.05Å
312	S	51.9	Low	50.9	Low	66 Å²	66	114.9 Å²	114.9	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-44.9	171.6	-93.6	0	0	0	0	111.6	K308 L315 Q316	K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.42Å; K308-S312 PolarHBondContact O-N 3.12Å; S312-L315 CarbonylContact O-C 3.58Å; S312-L315 PolarHBondContact O-N 3.27Å; S312-Q316 WeakPolarHBondContact O-CB 3.43Å; S312-Q316 PolarHBondContact O-N 2.98Å
313	N	48.6	Very low	50.1	Low	88 Å²	88	112.8 Å²	112.8	47%	0.471	54%	0.543	S	S	.	.	H	α-helix	trans	-71.1	-30.8	178.2	-70.9	7.9	0	0	0	112.5	L309 N317	L309-N313 VanDerWaalsContact O-CB 3.29Å; L309-N313 WeakPolarHBondContact O-CB 3.21Å; L309-N313 PolarHBondContact O-N 3.47Å; L309-N313 PolarHBondContact O-OD1 3.43Å; N313-N317 WeakPolarHBondContact O-CB 3.48Å; N313-N317 VanDerWaalsContact O-CG 3.23Å; N313-N317 PolarHBondContact O-N 3.15Å; N313-N317 PolarHBondContact O-OD1 3.1Å
314	S	44.3	Very low	49.2	Very low	58 Å²	58	114.2 Å²	114.2	41%	0.406	55%	0.552	S	S	.	*	H	α-helix	trans	-73.7	-35.7	171.6	66.4	0	0	0	0	111.7	K310 E311 Q316 E318	K310-S314 VanDerWaalsContact O-CB 3.29Å; K310-S314 WeakPolarHBondContact O-CB 3.39Å; K310-S314 PolarHBondContact O-N 3.44Å; K310-S314 PolarHBondContact O-OG 3.17Å; K310-S314 VanDerWaalsContact O-OG 3.08Å; E311-S314 WeakPolarHBondContact CA-OG 3.43Å; E311-S314 PolarHBondContact O-N 3.08Å; E311-S314 PolarHBondContact O-OG 3.4Å; E311-S314 VanDerWaalsContact O-OG 3.06Å; S314-Q316 VanDerWaalsContact C-N 3.33Å; S314-E318 WeakPolarHBondContact O-CB 3.24Å; S314-E318 PolarHBondContact O-N 3.1Å
315	L	50.5	Low	47.9	Very low	96 Å²	96	115.6 Å²	115.6	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-72.1	-23.8	173	-82.5	156.5	0	0	0	112.9	E311 S312 K319	E311-L315 WeakPolarHBondContact O-CB 3.31Å; E311-L315 WeakPolarHBondContact O-CD1 3.29Å; E311-L315 VanDerWaalsContact O-CG 3.3Å; E311-L315 WeakPolarHBondContact O-CG 3.42Å; E311-L315 PolarHBondContact O-N 3.05Å; S312-L315 CarbonylContact O-C 3.58Å; S312-L315 PolarHBondContact O-N 3.27Å; L315-K319 WeakPolarHBondContact O-CB 3.33Å; L315-K319 WeakPolarHBondContact O-CG 3.02Å; L315-K319 PolarHBondContact O-N 3.13Å
316	Q	47.9	Very low	46.6	Very low	114 Å²	114	114.9 Å²	114.9	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-79.6	-43.1	174.3	-136.4	156.1	-32.5	0	0	110.5	S312 S314 K319 E320	S312-Q316 WeakPolarHBondContact O-CB 3.43Å; S312-Q316 PolarHBondContact O-N 2.98Å; S314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-K319 PolarHBondContact O-N 2.76Å; Q316-E320 WeakPolarHBondContact O-CB 3.49Å; Q316-E320 WeakPolarHBondContact O-CG 3.23Å; Q316-E320 PolarHBondContact O-N 3.17Å
317	N	40.9	Very low	45.5	Very low	97 Å²	97	112.5 Å²	112.5	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-68.3	-35.1	173.4	-68	11.2	0	0	0	112.1	N313 E320 D321	N313-N317 WeakPolarHBondContact O-CB 3.48Å; N313-N317 VanDerWaalsContact O-CG 3.23Å; N313-N317 PolarHBondContact O-N 3.15Å; N313-N317 PolarHBondContact O-OD1 3.1Å; N317-E320 PolarHBondContact O-N 2.85Å; N317-D321 WeakPolarHBondContact O-CB 3.48Å; N317-D321 PolarHBondContact O-N 2.87Å
318	E	44.5	Very low	44.3	Very low	95 Å²	95	114.8 Å²	114.8	44%	0.444	58%	0.575	S	S	.	*	H	α-helix	trans	-79	-19.6	176.3	-157.4	-174.7	154.9	0	0	112.5	S314 K322	S314-E318 WeakPolarHBondContact O-CB 3.24Å; S314-E318 PolarHBondContact O-N 3.1Å; E318-K322 HydrophobicContact CG-CD 4.36Å; E318-K322 WeakPolarHBondContact O-CB 3.39Å; E318-K322 WeakPolarHBondContact O-CD 3.48Å; E318-K322 VanDerWaalsContact O-CG 3.24Å; E318-K322 WeakPolarHBondContact O-CG 3.47Å; E318-K322 PolarHBondContact O-N 2.95Å; E318-K322 VanDerWaalsContact O-N 3.14Å; E318-K322 IonicContact OE1-NZ 4Å; E318-K322 PolarHBondContact OE1-NZ 3.33Å
319	K	43.7	Very low	42.8	Very low	137 Å²	137	117 Å²	117	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-81.3	-34.2	168.2	-83.8	178.3	176.6	-172.6	0	112.3	L315 Q316 Q323	L315-K319 WeakPolarHBondContact O-CB 3.33Å; L315-K319 WeakPolarHBondContact O-CG 3.02Å; L315-K319 PolarHBondContact O-N 3.13Å; Q316-K319 PolarHBondContact O-N 2.76Å; K319-Q323 WeakPolarHBondContact O-CB 3.5Å; K319-Q323 PolarHBondContact O-N 2.99Å
320	E	40.1	Very low	41.5	Very low	120 Å²	120	121 Å²	121	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-70	-37.8	171.9	-76.6	177.2	166.8	0	0	111.6	Q316 N317 N324	Q316-E320 WeakPolarHBondContact O-CB 3.49Å; Q316-E320 WeakPolarHBondContact O-CG 3.23Å; Q316-E320 PolarHBondContact O-N 3.17Å; N317-E320 PolarHBondContact O-N 2.85Å; E320-N324 PolarHBondContact O-N 3.43Å
321	D	38.1	Very low	40.6	Very low	117 Å²	117	121.3 Å²	121.3	63%	0.626	61%	0.613	S	S	*	*	H	α-helix	trans	-73.8	-29.2	174.4	-74.6	-25.8	0	0	0	113.1	N317 S325	N317-D321 WeakPolarHBondContact O-CB 3.48Å; N317-D321 PolarHBondContact O-N 2.87Å; D321-S325 PolarHBondContact O-N 3.49Å
322	K	40.5	Very low	39.5	Very low	108 Å²	108	123.4 Å²	123.4	47%	0.47	62%	0.623	S	S	.	*	H	α-helix	trans	-84	-24.4	173.9	-75.9	172	173.9	163.5	0	113.9	E318 N324 S325 N326	E318-K322 HydrophobicContact CG-CD 4.36Å; E318-K322 WeakPolarHBondContact O-CB 3.39Å; E318-K322 WeakPolarHBondContact O-CD 3.48Å; E318-K322 VanDerWaalsContact O-CG 3.24Å; E318-K322 WeakPolarHBondContact O-CG 3.47Å; E318-K322 PolarHBondContact O-N 2.95Å; E318-K322 VanDerWaalsContact O-N 3.14Å; E318-K322 IonicContact OE1-NZ 4Å; E318-K322 PolarHBondContact OE1-NZ 3.33Å; K322-N324 VanDerWaalsContact C-N 3.34Å; K322-S325 PolarHBondContact O-N 3.5Å; K322-N326 WeakPolarHBondContact O-CB 3.41Å; K322-N326 PolarHBondContact O-N 3.24Å; K322-N326 PolarHBondContact O-ND2 3.42Å
323	Q	38	Very low	38.7	Very low	145 Å²	145	128.4 Å²	128.4	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-73.7	-24.8	169.7	-96.8	171	-66.2	0	0	112.9	K319	K319-Q323 WeakPolarHBondContact O-CB 3.5Å; K319-Q323 PolarHBondContact O-N 2.99Å
324	N	35.5	Very low	37.8	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-8.6	172.4	-86.6	-11.8	0	0	0	114.5	E320 K322	E320-N324 PolarHBondContact O-N 3.43Å; K322-N324 VanDerWaalsContact C-N 3.34Å
325	S	36.7	Very low	37.2	Very low	87 Å²	87	139 Å²	139	61%	0.608	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-14.2	176.2	-86.8	0	0	0	0	115	D321 K322 I327	D321-S325 PolarHBondContact O-N 3.49Å; K322-S325 PolarHBondContact O-N 3.5Å; S325-I327 PolarHBondContact O-N 2.97Å
326	N	33.5	Very low	36.3	Very low	127 Å²	127	143.1 Å²	143.1	68%	0.679	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	19.9	-177.1	-71.2	-15.7	0	0	0	114.7	K322 F328	K322-N326 WeakPolarHBondContact O-CB 3.41Å; K322-N326 PolarHBondContact O-N 3.24Å; K322-N326 PolarHBondContact O-ND2 3.42Å; N326-F328 VanDerWaalsContact C-N 3.31Å
327	I	34.3	Very low	35.4	Very low	140 Å²	140	145.9 Å²	145.9	72%	0.718	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-1.4	170.3	-72.6	174.2	0	0	0	111.7	S325	S325-I327 PolarHBondContact O-N 2.97Å
328	F	30.9	Very low	34.9	Very low	185 Å²	185	148.1 Å²	148.1	81%	0.811	72%	0.722	S	S	*	*	S	Bend	trans	-123.4	-4.5	-166.2	-115.9	-91.7	0	0	0	118.7	N326	N326-F328 VanDerWaalsContact C-N 3.31Å
329	E	31.8	Very low	34.2	Very low	187 Å²	187	151.7 Å²	151.7	87%	0.874	74%	0.739	S	S	*	*	S	Bend	trans	-155.8	37	-164.4	-116.6	175.4	166	0	0	117.8
330	H	32.5	Very low	33.6	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.806	75%	0.751	S	S	*	*			trans	-127	42	176	-138.8	-46.3	0	0	0	115
331	D	33.6	Very low	33.1	Very low	172 Å²	172	150.8 Å²	150.8	92%	0.92	76%	0.763	S	S	*	*	S	Bend	trans	-95.5	6.3	171.1	-130.2	-0.5	0	0	0	113.5
332	E	32.9	Very low	32.5	Very low	139 Å²	139	154.5 Å²	154.5	65%	0.65	78%	0.776	S	S	*	*	S	Bend	trans	-133.1	126.2	-178.8	-110.7	-171.6	101.8	0	0	111.3
333	K	33.5	Very low	32.1	Very low	171 Å²	171	158.2 Å²	158.2	74%	0.743	80%	0.795	S	S	*	*			trans	93.2	47.4	157.4	-57.3	163.8	-175.4	159	0	116.9
334	Q	30	Very low	31.6	Very low	191 Å²	191	158.7 Å²	158.7	89%	0.893	80%	0.797	S	S	*	*			trans	-73.7	97.5	130.6	-87.3	179.7	-14.9	0	0	108.4
335	Q	31.4	Very low	31.1	Very low	178 Å²	178	160.7 Å²	160.7	83%	0.832	79%	0.794	S	S	*	*			trans	177.2	98.1	156.9	-104.1	169.9	17.2	0	0	107.6
336	L	31.5	Very low	30.7	Very low	182 Å²	182	164.6 Å²	164.6	95%	0.953	80%	0.803	S	S	*	*			trans	154.9	75.4	150.8	-86	146.2	0	0	0	109.7
337	E	30.3	Very low	30.4	Very low	171 Å²	171	164 Å²	164	80%	0.799	81%	0.808	S	S	*	*			trans	-79	168.9	157.8	-74.8	-175	134.7	0	0	111
338	L	29.2	Very low	29.9	Very low	144 Å²	144	163.3 Å²	163.3	75%	0.754	82%	0.815	S	S	*	*			trans	86.7	96.8	152.5	-71.3	134.8	0	0	0	118.8
339	Q	30.2	Very low	29.7	Very low	171 Å²	171	165.6 Å²	165.6	80%	0.799	82%	0.82	S	S	*	*				168.1	147.3	96.7	-101.4	177.1	-7.1	0	0	113.8
340	N	31.9	Very low	29.7	Very low	161 Å²	161	166.1 Å²	166.1	86%	0.861	82%	0.822	S	S	*	*			trans	84.7	118.6	166.1	-64.7	-15.3	0	0	0	118.3
341	G	28.2	Very low	29.5	Very low	77 Å²	77	167.5 Å²	167.5	79%	0.794	83%	0.829	S	S	*	*			cis	120.3	119.1	14.1	0	0	0	0	0	111.1
342	Q	27.1	Very low	29.3	Very low	195 Å²	195	163.2 Å²	163.2	91%	0.911	83%	0.826	S	S	*	*			trans	-85.8	162.2	-160.9	-56.5	165.2	-59.1	0	0	117
343	Q	30.3	Very low	29.1	Very low	185 Å²	185	161.3 Å²	161.3	86%	0.864	83%	0.828	S	S	*	*			trans	-172.9	117.8	142	-105.2	172.1	-3.3	0	0	111.2
344	H	28.6	Very low	28.8	Very low	155 Å²	155	160.2 Å²	160.2	72%	0.718	83%	0.83	S	S	*	*				69.6	147	93.1	-98.3	-2	0	0	0	116.4
345	R	24.8	Very low	28.6	Very low	183 Å²	183	158.6 Å²	158.6	69%	0.691	83%	0.826	S	S	*	*			cis	-178.1	142.5	-14.1	-161.2	-162.1	-90.8	-143.6	-0.6	109.1
346	Q	28.1	Very low	28.5	Very low	168 Å²	168	155.1 Å²	155.1	79%	0.785	82%	0.822	S	S	*	*			trans	44.1	139.3	147	-85.8	168	-45.8	0	0	129.4
347	S	27.2	Very low	28.2	Very low	114 Å²	114	154.8 Å²	154.8	80%	0.797	82%	0.815	S	S	*	*			trans	97.3	132.6	130.5	-156.2	0	0	0	0	123.2
348	C	25.1	Very low	28.2	Very low	126 Å²	126	152.7 Å²	152.7	85%	0.851	82%	0.817	S	S	*	*			trans	-175.3	136.7	137.8	-103.2	0	0	0	0	114.5
349	Y	26.2	Very low	28	Very low	234 Å²	234	154 Å²	154	92%	0.918	82%	0.819	S	S	*	*			trans	-130.9	140.1	167.3	-117.9	-80.1	0	0	0	106.2
350	E	31.6	Very low	28	Very low	197 Å²	197	151.6 Å²	151.6	92%	0.921	82%	0.821	S	S	*	*			trans	-157.2	143.3	166.6	-116.9	172.4	-179.5	0	0	113
351	Q	28.3	Very low	27.6	Very low	203 Å²	203	151 Å²	151	95%	0.949	82%	0.818	S	S	*	*			trans	-90.3	156.6	179.8	-79.6	167.4	-53.6	0	0	112
352	G	29.4	Very low	27.6	Very low	83 Å²	83	154.8 Å²	154.8	86%	0.856	82%	0.819	S	S	*	*			trans	-161.7	116.8	165.5	0	0	0	0	0	113.1
353	S	27.6	Very low	27.4	Very low	99 Å²	99	154.5 Å²	154.5	69%	0.692	82%	0.818	S	S	*	*			trans	-98.9	141.5	175.3	46.3	0	0	0	0	111.5
354	N	27.6	Very low	27.4	Very low	148 Å²	148	153.7 Å²	153.7	79%	0.791	81%	0.814	S	S	*	*			trans	153.9	144.7	130.7	-79.3	-21.3	0	0	0	115.2
355	L	27.1	Very low	27.1	Very low	156 Å²	156	155 Å²	155	82%	0.817	82%	0.82	S	S	*	*			trans	99.1	114.8	139.9	-121.5	73.7	0	0	0	122.7
356	S	29.5	Very low	27.4	Very low	105 Å²	105	152.5 Å²	152.5	73%	0.734	83%	0.825	S	S	*	*			trans	74	122.3	132.8	48.4	0	0	0	0	123.5
357	Q	24.7	Very low	27.4	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.822	83%	0.826	S	S	*	*			trans	-71.6	167.8	160.3	-67.1	176.4	-42.2	0	0	112.3
358	P	29.6	Very low	27.3	Very low	127 Å²	127	149.9 Å²	149.9	83%	0.825	82%	0.824	S	S	*	*				-145.4	159.1	98.7	34.9	-17.4	0	0	0	116.3
359	Q	25.3	Very low	27.5	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.794	82%	0.824	S	S	*	*			trans	-67.7	150	167	-74.8	171.4	-73.5	0	0	112.5
360	S	29.5	Very low	27.3	Very low	121 Å²	121	148.9 Å²	148.9	85%	0.846	82%	0.818	S	S	*	*			trans	-148.9	130	145.7	54.6	0	0	0	0	111.2
361	N	23.9	Very low	27.4	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	81%	0.806	S	S	*	*			trans	-78.2	142.9	169	-73.1	-39.4	0	0	0	109.4
362	L	27.3	Very low	27.3	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	80%	0.796	S	S	*	*			trans	-148.6	108.4	153.8	-145.8	81.1	0	0	0	110.7
363	Q	23.6	Very low	27.3	Very low	190 Å²	190	143.7 Å²	143.7	89%	0.888	79%	0.793	S	S	*	*			trans	-74.3	134.2	157.9	-81.5	172	-62.7	0	0	108.4
364	Q	29.6	Very low	27.2	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	79%	0.794	S	S	*	*			trans	-147.1	109	153.7	-114.8	170.4	-1.5	0	0	110.6
365	H	23.3	Very low	27.2	Very low	182 Å²	182	144.3 Å²	144.3	84%	0.843	79%	0.793	S	S	*	*			trans	-75.7	128.6	160.6	-120	-106.3	0	0	0	107.6
366	T	30.6	Very low	27.4	Very low	130 Å²	130	143.8 Å²	143.8	80%	0.798	79%	0.788	S	S	*	*			trans	-149.9	132.3	154.2	-38.8	0	0	0	0	111
367	L	28.1	Very low	27.5	Very low	155 Å²	155	143.5 Å²	143.5	81%	0.812	78%	0.782	S	S	*	*			trans	-67.7	140.6	-174.2	-78	81	0	0	0	114
368	G	24.8	Very low	27.9	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	77%	0.774	S	S	*	*				65.8	103.7	118.5	0	0	0	0	0	120.4
369	I	29.2	Very low	28	Very low	166 Å²	166	137.1 Å²	137.1	85%	0.851	76%	0.755	S	S	*	*			trans	-145.2	119.9	140.9	-56.9	-176.5	0	0	0	108.6
370	H	23.7	Very low	28.6	Very low	173 Å²	173	133 Å²	133	80%	0.801	74%	0.738	S	S	*	*			trans	-89.1	138.1	165.4	-136.9	-77.9	0	0	0	107.4
371	P	33.4	Very low	28.7	Very low	104 Å²	104	130.5 Å²	130.5	68%	0.675	72%	0.721	S	S	*	*				-146	134.2	110.9	31.8	-13.4	0	0	0	113.9
372	T	26.4	Very low	29.2	Very low	120 Å²	120	128.1 Å²	128.1	74%	0.736	70%	0.703	S	S	*	*			trans	25.4	94.4	144.2	58.6	0	0	0	0	118.9
373	L	27.8	Very low	30	Very low	151 Å²	151	123.1 Å²	123.1	79%	0.791	68%	0.679	S	S	*	*			trans	-136.5	86.9	150	-162.4	76.8	0	0	0	109
374	T	26.4	Very low	30.8	Very low	115 Å²	115	117.2 Å²	117.2	71%	0.706	66%	0.656	S	S	*	*			trans	-64.3	143.6	162.7	38.9	0	0	0	0	109.4
375	D	26.7	Very low	31.4	Very low	145 Å²	145	112 Å²	112	78%	0.775	64%	0.638	S	S	*	*	S	Bend	trans	111.2	20.3	165	-57.4	-16.9	0	0	0	121.3
376	M	31.1	Very low	32.5	Very low	144 Å²	144	104.3 Å²	104.3	71%	0.709	60%	0.603	S	S	*	*	S	Bend	trans	-133	-5.3	162.2	-88.3	-172	-85.5	0	0	116.3	S379	M376-S379 PolarHBondContact O-OG 3.2Å
377	T	33.4	Very low	33.3	Very low	99 Å²	99	100.1 Å²	100.1	61%	0.607	58%	0.576	S	S	*	*	H	α-helix	trans	-80	-16.4	-172.8	44.9	0	0	0	0	115.1	I380 S381	T377-I380 PolarHBondContact O-N 2.86Å; T377-S381 PolarHBondContact O-N 3.4Å
378	T	32	Very low	33.7	Very low	108 Å²	108	98.4 Å²	98.4	66%	0.663	57%	0.567	S	S	*	*	H	α-helix	trans	-70.1	-31.4	179.4	49.3	0	0	0	0	113.5	S381 F382	T378-S381 PolarHBondContact O-OG 3.37Å; T378-F382 VanDerWaalsContact O-CB 3.31Å; T378-F382 WeakPolarHBondContact O-CB 3.46Å; T378-F382 PolarHBondContact O-N 2.96Å
379	S	32.2	Very low	34.3	Very low	61 Å²	61	103.6 Å²	103.6	43%	0.427	57%	0.565	S	S	.	*	H	α-helix	trans	-72.2	-30.8	176.7	67.2	0	0	0	0	112.6	M376 V383	M376-S379 PolarHBondContact O-OG 3.2Å; S379-V383 WeakPolarHBondContact O-CG2 3.42Å; S379-V383 PolarHBondContact O-N 2.93Å
380	I	36.5	Very low	34.8	Very low	84 Å²	84	98.2 Å²	98.2	43%	0.431	54%	0.537	S	S	.	.	H	α-helix	trans	-76.4	-43.1	-179.4	-60.7	177.4	0	0	0	110.2	T377 F382 V383 T384	T377-I380 PolarHBondContact O-N 2.86Å; I380-F382 VanDerWaalsContact C-N 3.35Å; I380-F382 PolarHBondContact O-N 3.15Å; I380-V383 PolarHBondContact O-N 3.48Å; I380-T384 WeakPolarHBondContact O-CG2 3.45Å; I380-T384 PolarHBondContact O-N 3.03Å; I380-T384 VanDerWaalsContact O-N 3.13Å; I380-T384 PolarHBondContact O-OG1 2.83Å
381	S	32.8	Very low	35.3	Very low	69 Å²	69	91.6 Å²	91.6	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-33.5	176.2	66.1	0	0	0	0	113	T377 T378 T384 S385	T377-S381 PolarHBondContact O-N 3.4Å; T378-S381 PolarHBondContact O-OG 3.37Å; S381-T384 PolarHBondContact O-OG1 3.44Å; S381-S385 WeakPolarHBondContact O-CB 3.21Å; S381-S385 PolarHBondContact O-N 3.06Å
382	F	33.2	Very low	35.2	Very low	100 Å²	100	90.6 Å²	90.6	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-36.5	176.6	-173.2	-99.1	0	0	0	112.6	T378 I380 N386	T378-F382 VanDerWaalsContact O-CB 3.31Å; T378-F382 WeakPolarHBondContact O-CB 3.46Å; T378-F382 PolarHBondContact O-N 2.96Å; I380-F382 VanDerWaalsContact C-N 3.35Å; I380-F382 PolarHBondContact O-N 3.15Å; F382-N386 VanDerWaalsContact CE1-ND2 3.35Å; F382-N386 WeakPolarHBondContact CE1-ND2 3.38Å; F382-N386 VanDerWaalsContact CZ-ND2 3.33Å; F382-N386 WeakPolarHBondContact CZ-ND2 3.45Å; F382-N386 WeakPolarHBondContact O-CB 3.45Å; F382-N386 PolarHBondContact O-N 2.89Å; F382-N386 PolarHBondContact O-ND2 3.32Å
383	V	44.6	Very low	35.6	Very low	49 Å²	49	90.4 Å²	90.4	30%	0.297	50%	0.503	S	S	.	.	H	α-helix	trans	-74.2	-41.6	179.2	170.6	0	0	0	0	111.3	S379 I380 N386 L387	S379-V383 WeakPolarHBondContact O-CG2 3.42Å; S379-V383 PolarHBondContact O-N 2.93Å; I380-V383 PolarHBondContact O-N 3.48Å; V383-N386 PolarHBondContact O-N 2.9Å; V383-L387 HydrophobicContact CG1-CD1 3.78Å; V383-L387 WeakPolarHBondContact O-CB 3.39Å; V383-L387 WeakPolarHBondContact O-CD1 3.12Å; V383-L387 PolarHBondContact O-N 3.15Å; V383-L387 VanDerWaalsContact O-N 3.11Å
384	T	41.5	Very low	35.8	Very low	67 Å²	67	87.8 Å²	87.8	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-44.1	176.4	53.6	0	0	0	0	112	I380 S381 N386 L387 D388	I380-T384 WeakPolarHBondContact O-CG2 3.45Å; I380-T384 PolarHBondContact O-N 3.03Å; I380-T384 VanDerWaalsContact O-N 3.13Å; I380-T384 PolarHBondContact O-OG1 2.83Å; S381-T384 PolarHBondContact O-OG1 3.44Å; T384-N386 VanDerWaalsContact C-N 3.29Å; T384-N386 PolarHBondContact O-N 3.22Å; T384-L387 PolarHBondContact O-N 3.5Å; T384-D388 PolarHBondContact O-N 3.42Å
385	S	41.9	Very low	36	Very low	58 Å²	58	86 Å²	86	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-55.6	-40.1	176.1	168.7	0	0	0	0	113.5	S381 R389	S381-S385 WeakPolarHBondContact O-CB 3.21Å; S381-S385 PolarHBondContact O-N 3.06Å; S385-R389 PolarHBondContact O-N 2.89Å
386	N	46.4	Very low	36	Very low	21 Å²	21	85.5 Å²	85.5	11%	0.112	49%	0.488	C	S	.	.	H	α-helix	trans	-83	-29.8	-177.9	-76.9	-51.7	0	0	0	113.3	I145 F382 V383 T384 D388 R389 I390	I145-N386 WeakPolarHBondContact CD1-OD1 3.22Å; I145-N386 WeakPolarHBondContact CG1-OD1 3.31Å; F382-N386 VanDerWaalsContact CE1-ND2 3.35Å; F382-N386 WeakPolarHBondContact CE1-ND2 3.38Å; F382-N386 VanDerWaalsContact CZ-ND2 3.33Å; F382-N386 WeakPolarHBondContact CZ-ND2 3.45Å; F382-N386 WeakPolarHBondContact O-CB 3.45Å; F382-N386 PolarHBondContact O-N 2.89Å; F382-N386 PolarHBondContact O-ND2 3.32Å; V383-N386 PolarHBondContact O-N 2.9Å; T384-N386 VanDerWaalsContact C-N 3.29Å; T384-N386 PolarHBondContact O-N 3.22Å; N386-D388 VanDerWaalsContact C-N 3.35Å; N386-R389 PolarHBondContact O-N 3.15Å; N386-I390 WeakPolarHBondContact O-CD1 3.16Å; N386-I390 WeakPolarHBondContact O-CG1 3.42Å; N386-I390 PolarHBondContact O-N 3.41Å
387	L	46.3	Very low	36.1	Very low	42 Å²	42	87.4 Å²	87.4	22%	0.22	50%	0.495	C	S	.	.	H	α-helix	trans	-64.5	-39.7	172.9	-89.6	152.8	0	0	0	111.6	F264 M265 V383 T384 I390 S391 L468	F264-L387 HydrophobicContact CE1-CD1 4.18Å; M265-L387 HydrophobicContact CE-CD2 4.21Å; V383-L387 HydrophobicContact CG1-CD1 3.78Å; V383-L387 WeakPolarHBondContact O-CB 3.39Å; V383-L387 WeakPolarHBondContact O-CD1 3.12Å; V383-L387 PolarHBondContact O-N 3.15Å; V383-L387 VanDerWaalsContact O-N 3.11Å; T384-L387 PolarHBondContact O-N 3.5Å; L387-I390 PolarHBondContact O-N 3.23Å; L387-S391 PolarHBondContact O-N 3.48Å; L387-L468 HydrophobicContact CD2-CD2 4.49Å
388	D	37	Very low	35.9	Very low	119 Å²	119	92.9 Å²	92.9	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-69.2	-39.7	177.3	-72.4	-21.1	0	0	0	112.2	T384 N386 I390 S391	T384-D388 PolarHBondContact O-N 3.42Å; N386-D388 VanDerWaalsContact C-N 3.35Å; D388-I390 VanDerWaalsContact C-N 3.34Å; D388-I390 PolarHBondContact O-N 2.73Å; D388-S391 PolarHBondContact O-N 2.98Å
389	R	38.1	Very low	35.9	Very low	181 Å²	181	93.9 Å²	93.9	68%	0.683	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-32.2	176.9	-79.6	-174.9	175	-159	-0.7	113.8	S385 N386	S385-R389 PolarHBondContact O-N 2.89Å; N386-R389 PolarHBondContact O-N 3.15Å
390	I	40.1	Very low	35.9	Very low	53 Å²	53	96.8 Å²	96.8	27%	0.272	52%	0.517	S	S	.	.	H	α-helix	trans	-79	-26.9	-179	-66.1	166.1	0	0	0	111.4	N386 L387 D388 C392 V393 L468	N386-I390 WeakPolarHBondContact O-CD1 3.16Å; N386-I390 WeakPolarHBondContact O-CG1 3.42Å; N386-I390 PolarHBondContact O-N 3.41Å; L387-I390 PolarHBondContact O-N 3.23Å; D388-I390 VanDerWaalsContact C-N 3.34Å; D388-I390 PolarHBondContact O-N 2.73Å; I390-C392 PolarHBondContact O-N 2.89Å; I390-V393 PolarHBondContact O-N 3.34Å; I390-L468 HydrophobicContact CG2-CD1 4.24Å
391	S	34.6	Very low	35.8	Very low	34 Å²	34	99.2 Å²	99.2	24%	0.238	53%	0.531	C	S	.	.	H	α-helix	trans	-64.7	-23.8	174.1	-169.4	0	0	0	0	113.1	L387 D388 L395	L387-S391 PolarHBondContact O-N 3.48Å; D388-S391 PolarHBondContact O-N 2.98Å; S391-L395 WeakPolarHBondContact O-CD1 3.42Å
392	C	29.9	Very low	35.9	Very low	83 Å²	83	101.4 Å²	101.4	56%	0.561	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.4	-179.7	-72.4	0	0	0	0	114.6	I390	I390-C392 PolarHBondContact O-N 2.89Å
393	V	35.4	Very low	35.8	Very low	116 Å²	116	106.2 Å²	106.2	70%	0.703	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	0	-167.9	177.1	0	0	0	0	113.9	I390	I390-V393 PolarHBondContact O-N 3.34Å
394	C	31	Very low	35.1	Very low	95 Å²	95	112.2 Å²	112.2	64%	0.642	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	17.4	-178.4	-74.7	0	0	0	0	115.5	C396	C394-C396 PolarHBondContact O-N 3.49Å
395	L	31.3	Very low	34.5	Very low	79 Å²	79	116.8 Å²	116.8	41%	0.414	61%	0.608	S	S	.	*			trans	-99.9	77.1	179.7	-73.2	165.1	0	0	0	111.7	S391 R460	S391-L395 WeakPolarHBondContact O-CD1 3.42Å; L395-R460 HydrophobicContact CD2-CG 4.15Å
396	C	27.9	Very low	33.9	Very low	133 Å²	133	121.7 Å²	121.7	90%	0.899	62%	0.624	S	S	*	*			trans	-115.4	93.7	157	-74	0	0	0	0	107.3	C394	C394-C396 PolarHBondContact O-N 3.49Å
397	E	32.6	Very low	32.9	Very low	184 Å²	184	127.1 Å²	127.1	86%	0.86	66%	0.659	S	S	*	*			trans	-133.9	123.8	168.7	-160.1	166.2	-158.5	0	0	109.2
398	R	29.4	Very low	32.2	Very low	215 Å²	215	130 Å²	130	81%	0.811	68%	0.682	S	S	*	*			trans	-72.6	126.9	-175.3	177.5	-179.2	173.1	122.9	0.8	109.1	D400	R398-D400 IonicContact NE-OD1 3.32Å; R398-D400 PolarHBondContact NE-OD1 2.82Å
399	N	31.5	Very low	31.7	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	69%	0.693	S	S	*	*			trans	-90.7	112.8	173.3	-159.7	18.6	0	0	0	108.5	N401	N399-N401 PolarHBondContact O-N 3.17Å; N399-N401 VanDerWaalsContact O-N 3.08Å
400	D	33.1	Very low	31.1	Very low	121 Å²	121	129.5 Å²	129.5	65%	0.647	69%	0.694	S	S	*	*	S	Bend	trans	-78.1	20.7	-174.1	-80.3	-31.5	0	0	0	114.6	R398	R398-D400 IonicContact NE-OD1 3.32Å; R398-D400 PolarHBondContact NE-OD1 2.82Å
401	N	33.5	Very low	30.5	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	72%	0.721	S	S	*	*	S	Bend	trans	-141	69.7	179.1	-68.4	-41.5	0	0	0	110.9	N399	N399-N401 PolarHBondContact O-N 3.17Å; N399-N401 VanDerWaalsContact O-N 3.08Å
402	T	34.4	Very low	30.3	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	74%	0.742	S	S	*	*			trans	165.4	116.2	150.1	36.2	0	0	0	0	108.7	F404	T402-F404 PolarHBondContact O-N 3.38Å
403	E	31.3	Very low	30.2	Very low	202 Å²	202	138.9 Å²	138.9	94%	0.944	75%	0.751	S	S	*	*	S	Bend	trans	-65.5	73.7	163.2	-76.6	-178.6	135.8	0	0	109.9
404	F	30.2	Very low	30.1	Very low	174 Å²	174	142.4 Å²	142.4	76%	0.763	76%	0.756	S	S	*	*			trans	-163.7	100.4	162.4	-119.1	-83.7	0	0	0	108.5	T402 Q406	T402-F404 PolarHBondContact O-N 3.38Å; F404-Q406 VanDerWaalsContact C-N 3.27Å; F404-Q406 PolarHBondContact O-N 2.88Å
405	I	29.5	Very low	30	Very low	164 Å²	164	145.1 Å²	145.1	84%	0.841	77%	0.765	S	S	*	*			trans	-75.2	87.3	169	-61	175.7	0	0	0	106.7
406	Q	28.6	Very low	30.1	Very low	160 Å²	160	150.3 Å²	150.3	75%	0.748	79%	0.787	S	S	*	*			trans	-81.9	109.9	159.8	-94	-178.1	-13.5	0	0	108.1	F404 S408	F404-Q406 VanDerWaalsContact C-N 3.27Å; F404-Q406 PolarHBondContact O-N 2.88Å; Q406-S408 PolarHBondContact O-N 3.49Å
407	T	26.4	Very low	30.1	Very low	136 Å²	136	152.5 Å²	152.5	83%	0.834	78%	0.784	S	S	*	*			trans	-58.5	94.5	166	45.8	0	0	0	0	109.5
408	S	30.1	Very low	29.8	Very low	101 Å²	101	153.3 Å²	153.3	71%	0.706	79%	0.785	S	S	*	*			trans	-106.5	100.9	167.9	43.9	0	0	0	0	109.6	Q406	Q406-S408 PolarHBondContact O-N 3.49Å
409	Q	26.8	Very low	29.7	Very low	188 Å²	188	149.9 Å²	149.9	88%	0.879	78%	0.778	S	S	*	*			trans	59.9	80.5	143.6	-62.4	177.2	-8.1	0	0	118.1
410	C	24.8	Very low	29.7	Very low	102 Å²	102	151.3 Å²	151.3	69%	0.689	79%	0.785	S	S	*	*			trans	-103.4	95.4	143.2	-119.8	0	0	0	0	107.1	I412	C410-I412 PolarHBondContact O-N 2.93Å
411	S	27.9	Very low	29.4	Very low	121 Å²	121	155.1 Å²	155.1	85%	0.846	79%	0.791	S	S	*	*			trans	-71.6	92.1	178.2	42.6	0	0	0	0	110.5
412	I	30.1	Very low	29.3	Very low	131 Å²	131	156.3 Å²	156.3	67%	0.672	80%	0.797	S	S	*	*			trans	-111.2	123.6	157.8	-58.5	176.5	0	0	0	105.9	C410 K414	C410-I412 PolarHBondContact O-N 2.93Å; I412-K414 PolarHBondContact O-N 3.06Å
413	P	28.5	Very low	29	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	80%	0.803	S	S	*	*			trans	-66.7	121.7	173.5	-1.6	16.1	0	0	0	108.2
414	K	32.8	Very low	28.9	Very low	190 Å²	190	148.5 Å²	148.5	83%	0.826	79%	0.793	S	S	*	*			trans	-115.4	87.4	166.7	-76.8	-170.8	178.1	-177.8	0	107.9	I412 Q416	I412-K414 PolarHBondContact O-N 3.06Å; K414-Q416 PolarHBondContact O-N 2.76Å
415	D	29.6	Very low	28.8	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	80%	0.797	S	S	*	*			trans	-82.2	96.9	159.1	-63.4	-34.5	0	0	0	107.2
416	Q	34.1	Very low	29	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	80%	0.798	S	S	*	*			trans	172.4	99.7	145.2	-97.5	172.8	-5.3	0	0	108.4	K414	K414-Q416 PolarHBondContact O-N 2.76Å
417	E	26.8	Very low	29	Very low	179 Å²	179	149.6 Å²	149.6	84%	0.836	81%	0.805	S	S	*	*			trans	-60.3	127.8	164.1	-74.7	174.1	138.3	0	0	109.8
418	F	27.6	Very low	29.2	Very low	202 Å²	202	152.6 Å²	152.6	89%	0.886	81%	0.809	S	S	*	*			trans	-139.1	109.6	148.5	-141.6	-93.1	0	0	0	108.5
419	H	27	Very low	29.2	Very low	142 Å²	142	156.7 Å²	156.7	66%	0.657	82%	0.817	S	S	*	*			trans	-59.6	133.4	167.8	-90.5	-97.5	0	0	0	109.4
420	D	29.8	Very low	29.5	Very low	159 Å²	159	152.8 Å²	152.8	85%	0.85	81%	0.81	S	S	*	*				-156.4	144.4	119.4	-125.5	-26.6	0	0	0	114.2
421	R	27.2	Very low	29.6	Very low	202 Å²	202	157.1 Å²	157.1	76%	0.762	82%	0.82	S	S	*	*			trans	-86.1	153.5	-178	-76.2	177.9	177.1	174.2	-0.1	110.5
422	N	31.9	Very low	29.7	Very low	160 Å²	160	157.4 Å²	157.4	86%	0.856	82%	0.821	S	S	*	*			trans	77.7	117.3	154.8	-65.9	-16.7	0	0	0	118.5
423	G	29.1	Very low	29.8	Very low	80 Å²	80	159 Å²	159	83%	0.825	83%	0.827	S	S	*	*				117.6	104.3	121.1	0	0	0	0	0	115.8
424	G	28.6	Very low	30	Very low	72 Å²	72	159.1 Å²	159.1	74%	0.742	83%	0.826	S	S	*	*			trans	97.7	113.1	143.7	0	0	0	0	0	116
425	K	28.8	Very low	30.1	Very low	195 Å²	195	158.7 Å²	158.7	85%	0.848	83%	0.827	S	S	*	*			trans	39	111.8	136.5	-61.5	175.5	179.5	173.4	0	116.1
426	D	32.7	Very low	30.3	Very low	160 Å²	160	159.5 Å²	159.5	86%	0.856	83%	0.83	S	S	*	*				-174.5	144.3	112.3	-81.7	-23.2	0	0	0	112.1
427	N	29.1	Very low	30.3	Very low	166 Å²	166	156.9 Å²	156.9	89%	0.888	83%	0.828	S	S	*	*			trans	-78.2	116.1	-171.3	-68.4	-48.1	0	0	0	111.6
428	E	30	Very low	30.7	Very low	199 Å²	199	153.4 Å²	153.4	93%	0.93	82%	0.823	S	S	*	*			trans	-147.3	71.9	160.3	-131.9	176.3	140.2	0	0	110.5
429	Q	30.7	Very low	30.9	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	82%	0.82	S	S	*	*			trans	-81.5	119.5	172	-100.1	174.6	-4.8	0	0	110.7
430	S	31.9	Very low	31.2	Very low	105 Å²	105	154.8 Å²	154.8	73%	0.734	83%	0.833	S	S	*	*			trans	-46.5	132.1	178.5	58.7	0	0	0	0	114.1	C432	S430-C432 PolarHBondContact O-N 3.14Å
431	H	28.4	Very low	31.5	Very low	193 Å²	193	154.5 Å²	154.5	89%	0.894	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	44.2	-169.4	-134.1	-73.9	0	0	0	116.8
432	C	30.1	Very low	31.7	Very low	127 Å²	127	150.4 Å²	150.4	86%	0.858	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-0.4	-175.2	-139.8	0	0	0	0	116.1	S430	S430-C432 PolarHBondContact O-N 3.14Å
433	M	32.4	Very low	31.9	Very low	164 Å²	164	149.7 Å²	149.7	81%	0.808	83%	0.827	S	S	*	*	S	Bend	trans	-115.5	4.8	-166.4	-149.3	123.3	77.7	0	0	116.9
434	T	32.5	Very low	32	Very low	119 Å²	119	153.3 Å²	153.3	73%	0.73	83%	0.827	S	S	*	*	S	Bend	trans	-96.6	4.6	-166.3	-21.5	0	0	0	0	116.1
435	H	34	Very low	32.4	Very low	180 Å²	180	159 Å²	159	83%	0.833	83%	0.834	S	S	*	*	S	Bend	trans	-112.7	3.1	-170.8	-106	-70.5	0	0	0	117
436	L	34.3	Very low	32.6	Very low	169 Å²	169	158.3 Å²	158.3	89%	0.885	83%	0.831	S	S	*	*	S	Bend	trans	-115.2	3.8	-174.9	-95.1	102.3	0	0	0	116.4	S438	L436-S438 PolarHBondContact O-N 3.24Å
437	T	34.9	Very low	32.3	Very low	134 Å²	134	158 Å²	158	82%	0.822	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	12.3	-171.3	10	0	0	0	0	116.3
438	S	34	Very low	32.2	Very low	106 Å²	106	158.8 Å²	158.8	74%	0.741	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	12.6	-170	62.2	0	0	0	0	117.7	L436	L436-S438 PolarHBondContact O-N 3.24Å
439	L	30.9	Very low	31.9	Very low	157 Å²	157	154.8 Å²	154.8	82%	0.822	82%	0.821	S	S	*	*			trans	-122.5	91.6	178.1	-78.1	158.6	0	0	0	111.9
440	K	34.4	Very low	31.6	Very low	215 Å²	215	153 Å²	153	94%	0.935	82%	0.823	S	S	*	*			trans	-82.8	122.4	161.3	-83.6	-178.6	174	-178.6	0	108.7
441	L	35.4	Very low	31.7	Very low	153 Å²	153	154.3 Å²	154.3	80%	0.801	82%	0.82	S	S	*	*			trans	-120.4	148.5	168.1	-81.6	157.6	0	0	0	109.5
442	P	32.8	Very low	31.6	Very low	116 Å²	116	151.9 Å²	151.9	75%	0.753	81%	0.809	S	S	*	*			trans	-85.9	152.8	-158	-4.8	24.8	0	0	0	114.9	N444	P442-N444 PolarHBondContact O-N 2.94Å
443	D	34.8	Very low	31.8	Very low	145 Å²	145	152.6 Å²	152.6	78%	0.775	80%	0.803	S	S	*	*	S	Bend	trans	-70.9	29.7	-164.9	-83.5	-55.2	0	0	0	119.1
444	N	32.5	Very low	32.1	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	80%	0.796	S	S	*	*			trans	-122.6	22	-169.7	-137.9	10.9	0	0	0	119.1	P442	P442-N444 PolarHBondContact O-N 2.94Å
445	E	36.1	Very low	32.6	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	79%	0.787	S	S	*	*			trans	-130.2	49	172.8	-80.4	-171.6	143	0	0	113.1	N447	E445-N447 VanDerWaalsContact C-N 3.27Å; E445-N447 PolarHBondContact O-N 3.45Å
446	K	31.8	Very low	33.3	Very low	180 Å²	180	145 Å²	145	78%	0.783	77%	0.772	S	S	*	*			trans	-77.1	0.4	177.7	-85.3	-178.3	179	170.1	0	115.7
447	N	28.1	Very low	34.2	Very low	153 Å²	153	144 Å²	144	82%	0.818	76%	0.762	S	S	*	*	S	Bend	trans	-125	48.6	-171.7	-74	-7.5	0	0	0	114.6	E445	E445-N447 VanDerWaalsContact C-N 3.27Å; E445-N447 PolarHBondContact O-N 3.45Å
448	Q	25.5	Very low	35.4	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	75%	0.745	S	S	*	*	S	Bend	trans	-163	62.4	162.6	-130.9	154.1	-1.6	0	0	115.1
449	C	23.6	Very low	36.8	Very low	114 Å²	114	139.1 Å²	139.1	77%	0.77	73%	0.726	S	S	*	*			trans	-151.5	60.2	163.9	-96.2	0	0	0	0	111.2	I451	C449-I451 PolarHBondContact O-N 3.35Å
450	T	26.4	Very low	38.5	Very low	151 Å²	151	138.2 Å²	138.2	93%	0.926	71%	0.712	S	S	*	*			trans	-73.1	76.2	157.4	32.1	0	0	0	0	108.8
451	I	32	Very low	40.1	Very low	133 Å²	133	131.2 Å²	131.2	68%	0.682	68%	0.684	S	S	*	*			trans	-79.4	120.5	159.4	-61.9	177.5	0	0	0	105.4	C449 I453	C449-I451 PolarHBondContact O-N 3.35Å; I451-I453 WeakPolarHBondContact O-CG1 3.32Å; I451-I453 PolarHBondContact O-N 2.88Å
452	E	27.6	Very low	41.7	Very low	142 Å²	142	127.4 Å²	127.4	66%	0.664	66%	0.662	S	S	*	*			trans	-46.4	104.6	170.1	-74.5	-176.9	147.4	0	0	110.1	N454	E452-N454 PolarHBondContact O-N 3.3Å
453	I	34.2	Very low	43.5	Very low	142 Å²	142	129.6 Å²	129.6	73%	0.728	66%	0.656	S	S	*	*			trans	-78.8	70.9	170.3	-52.8	178.9	0	0	0	106.9	I451 N455 P456	I451-I453 WeakPolarHBondContact O-CG1 3.32Å; I451-I453 PolarHBondContact O-N 2.88Å; I453-N455 PolarHBondContact O-N 3.39Å; I453-P456 HydrophobicContact CG2-CB 4.34Å; I453-P456 HydrophobicContact CG2-CG 4.31Å
454	N	39.3	Very low	45.3	Very low	123 Å²	123	124.5 Å²	124.5	66%	0.658	63%	0.632	S	S	*	*			trans	-78	98.9	165.7	-79.9	-34.6	0	0	0	107.8	E452	E452-N454 PolarHBondContact O-N 3.3Å
455	N	42.8	Very low	47.1	Very low	100 Å²	100	117.3 Å²	117.3	54%	0.535	59%	0.594	S	S	.	*			trans	58.5	87.4	169.3	-144.4	-4.3	0	0	0	117.1	I453 Q457 L458 S459	I453-N455 PolarHBondContact O-N 3.39Å; N455-Q457 PolarHBondContact O-N 3.27Å; N455-Q457 VanDerWaalsContact O-N 3.12Å; N455-L458 HydrophobicContact CB-CB 4.23Å; N455-L458 PolarHBondContact O-N 3.41Å; N455-L458 VanDerWaalsContact O-N 3.08Å; N455-S459 PolarHBondContact O-N 3.38Å
456	P	47.6	Very low	49	Very low	80 Å²	80	109 Å²	109	52%	0.519	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-17.8	-176.9	26.5	-32.5	0	0	0	114.1	I453 S459 R460	I453-P456 HydrophobicContact CG2-CB 4.34Å; I453-P456 HydrophobicContact CG2-CG 4.31Å; P456-S459 PolarHBondContact O-OG 2.9Å; P456-R460 PolarHBondContact O-N 2.84Å
457	Q	54.3	Low	51.1	Low	147 Å²	147	103.6 Å²	103.6	69%	0.687	54%	0.538	S	S	*	.	H	α-helix	trans	-74.3	-38.1	173.4	-67.8	-160.1	-15.4	0	0	112.5	N455 R460 I461	N455-Q457 PolarHBondContact O-N 3.27Å; N455-Q457 VanDerWaalsContact O-N 3.12Å; Q457-R460 PolarHBondContact O-N 3.38Å; Q457-I461 WeakPolarHBondContact O-CG1 3.33Å; Q457-I461 PolarHBondContact O-N 3.27Å; Q457-I461 VanDerWaalsContact O-N 3.15Å
458	L	58.4	Low	53.3	Low	89 Å²	89	98 Å²	98	47%	0.466	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-43.5	179.3	-172.5	66	0	0	0	110.6	N455 R460 I461 E462	N455-L458 HydrophobicContact CB-CB 4.23Å; N455-L458 PolarHBondContact O-N 3.41Å; N455-L458 VanDerWaalsContact O-N 3.08Å; L458-R460 PolarHBondContact O-N 2.92Å; L458-I461 PolarHBondContact O-N 2.87Å; L458-E462 VanDerWaalsContact O-CG 3.31Å; L458-E462 WeakPolarHBondContact O-CG 3.27Å; L458-E462 PolarHBondContact O-N 3.05Å
459	S	65.4	Low	55.6	Low	49 Å²	49	89.3 Å²	89.3	34%	0.343	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.8	67	0	0	0	0	112.3	N455 P456 I461 E462 W463	N455-S459 PolarHBondContact O-N 3.38Å; P456-S459 PolarHBondContact O-OG 2.9Å; S459-I461 PolarHBondContact O-N 3.45Å; S459-E462 WeakPolarHBondContact O-CB 3.41Å; S459-E462 PolarHBondContact O-N 2.89Å; S459-W463 PolarHBondContact O-N 2.9Å
460	R	65.7	Low	58.1	Low	138 Å²	138	89.8 Å²	89.8	52%	0.521	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.5	-174.3	-177.5	-71.9	-161.4	-0.2	112.2	L395 P456 Q457 L458 W463 S464	L395-R460 HydrophobicContact CD2-CG 4.15Å; P456-R460 PolarHBondContact O-N 2.84Å; Q457-R460 PolarHBondContact O-N 3.38Å; L458-R460 PolarHBondContact O-N 2.92Å; R460-W463 PolarHBondContact O-N 3.31Å; R460-S464 PolarHBondContact O-N 2.98Å; R460-S464 PolarHBondContact O-OG 3.41Å
461	I	68.1	Low	60.5	Low	69 Å²	69	91 Å²	91	35%	0.354	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177	-67.8	167.5	0	0	0	110.5	Y269 Q457 L458 S459 S464 A465	Y269-I461 HydrophobicContact CE1-CG2 4.48Å; Y269-I461 VanDerWaalsContact OH-CG2 3.29Å; Y269-I461 WeakPolarHBondContact OH-CG2 3.38Å; Q457-I461 WeakPolarHBondContact O-CG1 3.33Å; Q457-I461 PolarHBondContact O-N 3.27Å; Q457-I461 VanDerWaalsContact O-N 3.15Å; L458-I461 PolarHBondContact O-N 2.87Å; S459-I461 PolarHBondContact O-N 3.45Å; I461-S464 PolarHBondContact O-N 2.93Å; I461-A465 WeakPolarHBondContact O-CB 3.43Å; I461-A465 PolarHBondContact O-N 3.16Å
462	E	69.8	Low	62.6	Low	72 Å²	72	86 Å²	86	34%	0.336	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-44.3	174.8	-72.7	174.8	170.3	0	0	112.6	Y269 L458 S459 A465 A466	Y269-E462 HydrophobicContact CD1-CB 4.45Å; Y269-E462 HydrophobicContact CD1-CG 3.62Å; Y269-E462 HydrophobicContact CE1-CB 4.33Å; Y269-E462 HydrophobicContact CE1-CG 3.62Å; L458-E462 VanDerWaalsContact O-CG 3.31Å; L458-E462 WeakPolarHBondContact O-CG 3.27Å; L458-E462 PolarHBondContact O-N 3.05Å; S459-E462 WeakPolarHBondContact O-CB 3.41Å; S459-E462 PolarHBondContact O-N 2.89Å; E462-A465 PolarHBondContact O-N 3.46Å; E462-A466 WeakPolarHBondContact O-CB 3.17Å; E462-A466 PolarHBondContact O-N 3Å
463	W	70.6	Confident	65.2	Low	162 Å²	162	80.5 Å²	80.5	61%	0.614	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-44.3	176.9	-89.1	102.6	0	0	0	112.1	S459 R460 A466 N467	S459-W463 PolarHBondContact O-N 2.9Å; R460-W463 PolarHBondContact O-N 3.31Å; W463-A466 PolarHBondContact O-N 3.45Å; W463-N467 WeakPolarHBondContact O-CB 3.39Å; W463-N467 VanDerWaalsContact O-CG 3.29Å; W463-N467 PolarHBondContact O-N 3.36Å; W463-N467 PolarHBondContact O-ND2 3.08Å
464	S	72.2	Confident	67.5	Low	39 Å²	39	77.2 Å²	77.2	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-44.6	175.3	-69.4	0	0	0	0	111.5	R460 I461 N467 L468	R460-S464 PolarHBondContact O-N 2.98Å; R460-S464 PolarHBondContact O-OG 3.41Å; I461-S464 PolarHBondContact O-N 2.93Å; S464-N467 PolarHBondContact O-N 2.97Å; S464-L468 WeakPolarHBondContact O-CB 3.32Å; S464-L468 PolarHBondContact O-N 3.15Å
465	A	70.5	Confident	69.5	Low	5 Å²	5	74.9 Å²	74.9	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-45.3	176.1	0	0	0	0	0	112	M265 Y269 I461 E462 N467 L468 E469	M265-A465 HydrophobicContact SD-CB 4.41Å; Y269-A465 HydrophobicContact CD2-CB 4.31Å; Y269-A465 HydrophobicContact CE1-CB 4.41Å; Y269-A465 HydrophobicContact CE2-CB 3.55Å; I461-A465 WeakPolarHBondContact O-CB 3.43Å; I461-A465 PolarHBondContact O-N 3.16Å; E462-A465 PolarHBondContact O-N 3.46Å; A465-N467 VanDerWaalsContact C-N 3.34Å; A465-N467 PolarHBondContact O-N 2.9Å; A465-L468 PolarHBondContact O-N 3.17Å; A465-E469 WeakPolarHBondContact O-CB 3.48Å; A465-E469 PolarHBondContact O-N 3.14Å
466	A	74.3	Confident	71.6	Confident	18 Å²	18	70.8 Å²	70.8	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-37.1	177.5	0	0	0	0	0	112.6	E462 W463 R470	E462-A466 WeakPolarHBondContact O-CB 3.17Å; E462-A466 PolarHBondContact O-N 3Å; W463-A466 PolarHBondContact O-N 3.45Å; A466-R470 WeakPolarHBondContact O-CB 3.45Å; A466-R470 PolarHBondContact O-N 2.96Å
467	N	76.1	Confident	73.5	Confident	66 Å²	66	73.5 Å²	73.5	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-42.8	175.8	-79.4	-23.1	0	0	0	112.1	W463 S464 A465 E469 R470 R471	W463-N467 WeakPolarHBondContact O-CB 3.39Å; W463-N467 VanDerWaalsContact O-CG 3.29Å; W463-N467 PolarHBondContact O-N 3.36Å; W463-N467 PolarHBondContact O-ND2 3.08Å; S464-N467 PolarHBondContact O-N 2.97Å; A465-N467 VanDerWaalsContact C-N 3.34Å; A465-N467 PolarHBondContact O-N 2.9Å; N467-E469 VanDerWaalsContact C-N 3.35Å; N467-R470 PolarHBondContact O-N 2.61Å; N467-R470 PolarHBondContact OD1-NH1 3.49Å; N467-R471 PolarHBondContact O-N 3.01Å; N467-R471 VanDerWaalsContact O-N 3.11Å
468	L	74.1	Confident	75.1	Confident	34 Å²	34	68.3 Å²	68.3	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-46.9	175.2	-175.5	63.6	0	0	0	110.7	L387 I390 S464 A465 R470 R471 R472	L387-L468 HydrophobicContact CD2-CD2 4.49Å; I390-L468 HydrophobicContact CG2-CD1 4.24Å; S464-L468 WeakPolarHBondContact O-CB 3.32Å; S464-L468 PolarHBondContact O-N 3.15Å; A465-L468 PolarHBondContact O-N 3.17Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.3Å; L468-R471 PolarHBondContact O-N 3.38Å; L468-R471 VanDerWaalsContact O-N 3.14Å; L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 3.19Å
469	E	75.5	Confident	76.7	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-42.1	177.8	-173.7	49.4	-131.4	0	0	111.8	H261 W278 A465 N467 R471 R472 K473	H261-E469 IonicContact CE1-OE2 3.29Å; H261-E469 PolarHBondContact CE1-OE2 3.19Å; H261-E469 VanDerWaalsContact CE1-OE2 3.31Å; H261-E469 IonicContact ND1-OE2 3.31Å; W278-E469 HydrophobicContact CH2-CB 4.36Å; W278-E469 HydrophobicContact CH2-CG 3.97Å; W278-E469 HydrophobicContact CZ3-CG 4.19Å; A465-E469 WeakPolarHBondContact O-CB 3.48Å; A465-E469 PolarHBondContact O-N 3.14Å; N467-E469 VanDerWaalsContact C-N 3.35Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 3.39Å; E469-R472 PolarHBondContact O-N 2.91Å; E469-K473 HydrophobicContact CG-CD 4.4Å; E469-K473 WeakPolarHBondContact O-CG 3.34Å; E469-K473 PolarHBondContact O-N 2.97Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 VanDerWaalsContact OE1-CG 3.23Å; E469-K473 WeakPolarHBondContact OE1-CG 3.3Å
470	R	75.3	Confident	77.9	Confident	123 Å²	123	66.8 Å²	66.8	46%	0.464	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-37.8	175.6	-167.3	-176.5	-63	120.7	2.5	112.5	A466 N467 L468 P474	A466-R470 WeakPolarHBondContact O-CB 3.45Å; A466-R470 PolarHBondContact O-N 2.96Å; N467-R470 PolarHBondContact O-N 2.61Å; N467-R470 PolarHBondContact OD1-NH1 3.49Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.3Å; R470-P474 VanDerWaalsContact O-CD 3.28Å; R470-P474 WeakPolarHBondContact O-CD 3.13Å
471	R	76.3	Confident	79.2	Confident	178 Å²	178	60.4 Å²	60.4	67%	0.672	28%	0.279	S	S	*	.	H	α-helix	trans	-73.5	-33.9	176.5	-69.7	-175.6	-173.4	-168.3	4.9	112.2	N467 L468 E469 P474 H475	N467-R471 PolarHBondContact O-N 3.01Å; N467-R471 VanDerWaalsContact O-N 3.11Å; L468-R471 PolarHBondContact O-N 3.38Å; L468-R471 VanDerWaalsContact O-N 3.14Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 3.39Å; R471-P474 WeakPolarHBondContact O-CD 3.24Å; R471-H475 PolarHBondContact O-CD2 3.06Å; R471-H475 VanDerWaalsContact O-CD2 3.28Å
472	R	77.2	Confident	80.4	Confident	26 Å²	26	57.2 Å²	57.2	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-40.7	-177.7	-177.2	177.3	173.9	169.9	-0.9	113.6	H261 L468 E469 H475 V476	H261-R472 PolarHBondContact CD2-NH1 3.27Å; H261-R472 PolarHBondContact CE1-NH1 3.47Å; H261-R472 PolarHBondContact ND1-NH1 3.48Å; H261-R472 VanDerWaalsContact ND1-NH1 3.14Å; H261-R472 PolarHBondContact NE2-NH1 3.39Å; L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 3.19Å; E469-R472 PolarHBondContact O-N 2.91Å; R472-H475 WeakPolarHBondContact O-CA 3.44Å; R472-H475 WeakPolarHBondContact O-CB 3.31Å; R472-H475 PolarHBondContact O-N 3.15Å; R472-V476 HydrophobicContact CG-CG2 3.8Å; R472-V476 PolarHBondContact O-N 3.5Å
473	K	80.7	Confident	81.6	Confident	27 Å²	27	55.3 Å²	55.3	12%	0.117	26%	0.259	C	S	.	.	H	α-helix	trans	-47	-46.5	-177.5	-81.6	170.4	175.6	165.1	0	115.2	H282 E469 H475 V476 R477	H282-K473 PolarHBondContact CD2-NZ 3.32Å; H282-K473 VanDerWaalsContact CD2-NZ 3.25Å; H282-K473 WeakPolarHBondContact CE1-CE 3.38Å; H282-K473 PolarHBondContact CE1-NZ 2.96Å; H282-K473 VanDerWaalsContact CE1-NZ 3.26Å; H282-K473 WeakPolarHBondContact NE2-CE 3.4Å; H282-K473 PolarHBondContact NE2-NZ 2.91Å; E469-K473 HydrophobicContact CG-CD 4.4Å; E469-K473 WeakPolarHBondContact O-CG 3.34Å; E469-K473 PolarHBondContact O-N 2.97Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 VanDerWaalsContact OE1-CG 3.23Å; E469-K473 WeakPolarHBondContact OE1-CG 3.3Å; K473-H475 PolarHBondContact O-N 3.25Å; K473-V476 PolarHBondContact O-N 2.79Å; K473-R477 WeakPolarHBondContact O-CG 3.07Å; K473-R477 PolarHBondContact O-N 2.84Å
474	P	82.6	Confident	82.7	Confident	73 Å²	73	51.7 Å²	51.7	47%	0.474	25%	0.251	S	S	.	.	H	α-helix	trans	-56.9	-45.4	174.4	-25.7	34	0	0	0	113.3	R470 R471 R477 T478	R470-P474 VanDerWaalsContact O-CD 3.28Å; R470-P474 WeakPolarHBondContact O-CD 3.13Å; R471-P474 WeakPolarHBondContact O-CD 3.24Å; P474-R477 PolarHBondContact O-N 3.41Å; P474-T478 PolarHBondContact O-N 3.11Å; P474-T478 PolarHBondContact O-OG1 2.67Å
475	H	83.1	Confident	83.8	Confident	74 Å²	74	49.9 Å²	49.9	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-39.6	-179.8	-66	-74.4	0	0	0	112.1	I142 R471 R472 K473 T478 A479	I142-H475 HydrophobicContact CG1-CB 4.43Å; R471-H475 PolarHBondContact O-CD2 3.06Å; R471-H475 VanDerWaalsContact O-CD2 3.28Å; R472-H475 WeakPolarHBondContact O-CA 3.44Å; R472-H475 WeakPolarHBondContact O-CB 3.31Å; R472-H475 PolarHBondContact O-N 3.15Å; K473-H475 PolarHBondContact O-N 3.25Å; H475-T478 PolarHBondContact O-N 2.93Å; H475-A479 WeakPolarHBondContact O-CB 3.43Å; H475-A479 PolarHBondContact O-N 3.2Å
476	V	85.5	Confident	85	Confident	15 Å²	15	49.8 Å²	49.8	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-45.4	176.1	175.3	0	0	0	0	111.2	V258 R472 K473 T478 A479 Q480	V258-V476 HydrophobicContact CG1-CG1 3.95Å; V258-V476 HydrophobicContact CG2-CG1 4.27Å; V258-V476 HydrophobicContact CG2-CG2 4.03Å; R472-V476 HydrophobicContact CG-CG2 3.8Å; R472-V476 PolarHBondContact O-N 3.5Å; K473-V476 PolarHBondContact O-N 2.79Å; V476-T478 VanDerWaalsContact C-N 3.32Å; V476-T478 PolarHBondContact O-N 2.89Å; V476-A479 PolarHBondContact O-N 3.26Å; V476-Q480 WeakPolarHBondContact O-CG 3.38Å; V476-Q480 PolarHBondContact O-N 3.38Å
477	R	88.2	Confident	85.9	Confident	137 Å²	137	50.7 Å²	50.7	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-38.9	177	-71.8	177.6	178.8	172.5	0.2	112.5	K473 P474 Q480 T481	K473-R477 WeakPolarHBondContact O-CG 3.07Å; K473-R477 PolarHBondContact O-N 2.84Å; P474-R477 PolarHBondContact O-N 3.41Å; R477-Q480 PolarHBondContact O-N 3.11Å; R477-T481 PolarHBondContact O-N 2.71Å; R477-T481 VanDerWaalsContact O-N 3.09Å; R477-T481 PolarHBondContact O-OG1 3.45Å
478	T	88.4	Confident	86.8	Confident	37 Å²	37	48.8 Å²	48.8	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-43.8	173.8	-62.1	0	0	0	0	111	P474 H475 V476 Q480 T481 L482	P474-T478 PolarHBondContact O-N 3.11Å; P474-T478 PolarHBondContact O-OG1 2.67Å; H475-T478 PolarHBondContact O-N 2.93Å; V476-T478 VanDerWaalsContact C-N 3.32Å; V476-T478 PolarHBondContact O-N 2.89Å; T478-Q480 PolarHBondContact O-N 3.43Å; T478-T481 WeakPolarHBondContact O-CB 3.36Å; T478-T481 PolarHBondContact O-N 3.07Å; T478-L482 HydrophobicContact CG2-CD1 3.78Å; T478-L482 HydrophobicContact CG2-CG 4.47Å; T478-L482 VanDerWaalsContact O-CG 3.32Å; T478-L482 WeakPolarHBondContact O-CG 3.17Å; T478-L482 PolarHBondContact O-N 2.87Å
479	A	90.8	Very high	87.7	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-41.1	175.4	0	0	0	0	0	112.6	R138 I142 H475 V476 T481 L482 A483	R138-A479 HydrophobicContact CB-CB 4.25Å; R138-A479 HydrophobicContact CG-CB 4.11Å; I142-A479 HydrophobicContact CD1-CB 3.46Å; I142-A479 VanDerWaalsContact CD1-CB 3.46Å; H475-A479 WeakPolarHBondContact O-CB 3.43Å; H475-A479 PolarHBondContact O-N 3.2Å; V476-A479 PolarHBondContact O-N 3.26Å; A479-T481 VanDerWaalsContact C-N 3.33Å; A479-T481 PolarHBondContact O-N 3.24Å; A479-L482 PolarHBondContact O-N 3.08Å; A479-A483 WeakPolarHBondContact O-CB 3.12Å; A479-A483 PolarHBondContact O-N 3.35Å
480	Q	91.5	Very high	88.5	Confident	101 Å²	101	49 Å²	49	47%	0.472	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-43.2	174	-73.3	172.8	-21.4	0	0	112.2	V476 R477 T478 L482 A483 L484 M544	V476-Q480 WeakPolarHBondContact O-CG 3.38Å; V476-Q480 PolarHBondContact O-N 3.38Å; R477-Q480 PolarHBondContact O-N 3.11Å; T478-Q480 PolarHBondContact O-N 3.43Å; Q480-L482 VanDerWaalsContact C-N 3.33Å; Q480-L482 PolarHBondContact O-N 3.01Å; Q480-A483 PolarHBondContact O-N 2.97Å; Q480-L484 PolarHBondContact O-N 3.5Å; Q480-M544 HydrophobicContact CB-CE 4.39Å
481	T	92.8	Very high	89.2	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-43.9	176.8	-54.1	0	0	0	0	110.9	R477 T478 A479 L484 V485 I540 Y541 M544	R477-T481 PolarHBondContact O-N 2.71Å; R477-T481 VanDerWaalsContact O-N 3.09Å; R477-T481 PolarHBondContact O-OG1 3.45Å; T478-T481 WeakPolarHBondContact O-CB 3.36Å; T478-T481 PolarHBondContact O-N 3.07Å; A479-T481 VanDerWaalsContact C-N 3.33Å; A479-T481 PolarHBondContact O-N 3.24Å; T481-L484 PolarHBondContact O-N 2.98Å; T481-V485 WeakPolarHBondContact O-CG2 3.24Å; T481-V485 PolarHBondContact O-N 2.97Å; T481-V485 VanDerWaalsContact O-N 3.14Å; T481-I540 HydrophobicContact CG2-CG2 4.03Å; T481-Y541 HydrophobicContact CG2-CD1 3.87Å; T481-Y541 HydrophobicContact CG2-CE1 4.2Å; T481-M544 HydrophobicContact CG2-CB 3.89Å; T481-M544 WeakPolarHBondContact OG1-CB 3.48Å
482	L	93.5	Very high	89.9	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-74.7	-29	-178.5	-65	166	0	0	0	112.8	I80 I134 R138 Y251 T478 A479 Q480 L484 V485 A486 Y541	I80-L482 HydrophobicContact CG1-CD2 4.24Å; I134-L482 HydrophobicContact CG2-CB 4.05Å; I134-L482 HydrophobicContact CG2-CD1 3.7Å; I134-L482 HydrophobicContact CG2-CD2 4.2Å; I134-L482 HydrophobicContact CG2-CG 4.19Å; R138-L482 HydrophobicContact CG-CD1 4.33Å; Y251-L482 PolarHBondContact OH-O 2.71Å; T478-L482 HydrophobicContact CG2-CD1 3.78Å; T478-L482 HydrophobicContact CG2-CG 4.47Å; T478-L482 VanDerWaalsContact O-CG 3.32Å; T478-L482 WeakPolarHBondContact O-CG 3.17Å; T478-L482 PolarHBondContact O-N 2.87Å; A479-L482 PolarHBondContact O-N 3.08Å; Q480-L482 VanDerWaalsContact C-N 3.33Å; Q480-L482 PolarHBondContact O-N 3.01Å; L482-L484 VanDerWaalsContact C-N 3.32Å; L482-V485 WeakPolarHBondContact O-CB 3.33Å; L482-V485 PolarHBondContact O-N 3.41Å; L482-A486 PolarHBondContact O-N 2.92Å; L482-Y541 HydrophobicContact CD2-CE1 4.32Å
483	A	94.4	Very high	90.5	Very high	31 Å²	31	39.1 Å²	39.1	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-39.9	170.5	0	0	0	0	0	111.1	Y251 A479 Q480 A486 A487	Y251-A483 HydrophobicContact CD1-CB 3.6Å; Y251-A483 HydrophobicContact CD2-CB 4.46Å; Y251-A483 HydrophobicContact CE1-CB 3.79Å; Y251-A483 HydrophobicContact CG-CB 3.97Å; A479-A483 WeakPolarHBondContact O-CB 3.12Å; A479-A483 PolarHBondContact O-N 3.35Å; Q480-A483 PolarHBondContact O-N 2.97Å; A483-A486 PolarHBondContact O-N 3.39Å; A483-A487 WeakPolarHBondContact O-CB 3.46Å; A483-A487 PolarHBondContact O-N 3.06Å
484	L	94.8	Very high	90.7	Very high	86 Å²	86	40.7 Å²	40.7	45%	0.45	22%	0.218	S	C	.	.	H	α-helix	trans	-69.5	-35.9	174.7	-77.1	163.6	0	0	0	112.7	Q480 T481 L482 A486 A487 N488 I540 M544	Q480-L484 PolarHBondContact O-N 3.5Å; T481-L484 PolarHBondContact O-N 2.98Å; L482-L484 VanDerWaalsContact C-N 3.32Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A487 PolarHBondContact O-N 3.45Å; L484-N488 VanDerWaalsContact O-CB 3.31Å; L484-N488 WeakPolarHBondContact O-CB 3.44Å; L484-N488 PolarHBondContact O-N 3.06Å; L484-I540 HydrophobicContact CB-CG2 4.24Å; L484-M544 HydrophobicContact CD1-CE 3.51Å; L484-M544 HydrophobicContact CD1-SD 3.11Å; L484-M544 WeakPolarHBondContact CD1-SD 3.36Å; L484-M544 HydrophobicContact CG-SD 4.4Å
485	V	94.9	Very high	90.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-44.2	170.1	170.7	0	0	0	0	110.8	L83 L131 T481 L482 N488 F489 I540 Y541	L83-V485 HydrophobicContact CD2-CG1 3.61Å; L131-V485 HydrophobicContact CD2-CG1 3.89Å; T481-V485 WeakPolarHBondContact O-CG2 3.24Å; T481-V485 PolarHBondContact O-N 2.97Å; T481-V485 VanDerWaalsContact O-N 3.14Å; L482-V485 WeakPolarHBondContact O-CB 3.33Å; L482-V485 PolarHBondContact O-N 3.41Å; V485-N488 WeakPolarHBondContact O-CB 3.26Å; V485-N488 PolarHBondContact O-N 3.47Å; V485-F489 PolarHBondContact O-N 2.98Å; V485-F489 VanDerWaalsContact O-N 3.09Å; V485-I540 HydrophobicContact CG2-CB 4.32Å; V485-I540 HydrophobicContact CG2-CD1 4.1Å; V485-I540 HydrophobicContact CG2-CG2 3.91Å; V485-Y541 HydrophobicContact CG2-CE1 4.18Å
486	A	94.7	Very high	90.8	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-42.1	177.1	0	0	0	0	0	112.7	Y251 L482 A483 L484 N488 F489 I490	Y251-A486 HydrophobicContact CD2-CB 4.11Å; Y251-A486 HydrophobicContact CE2-CB 3.53Å; L482-A486 PolarHBondContact O-N 2.92Å; A483-A486 PolarHBondContact O-N 3.39Å; L484-A486 VanDerWaalsContact C-N 3.34Å; A486-N488 VanDerWaalsContact C-N 3.32Å; A486-N488 PolarHBondContact O-N 3.17Å; A486-F489 WeakPolarHBondContact O-CB 3.3Å; A486-F489 PolarHBondContact O-N 2.98Å; A486-I490 WeakPolarHBondContact O-CG1 3.34Å; A486-I490 PolarHBondContact O-N 2.95Å
487	A	94.2	Very high	90.6	Very high	38 Å²	38	36.7 Å²	36.7	31%	0.314	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-42.1	175.2	0	0	0	0	0	111.5	A483 L484 F489 I490 I491	A483-A487 WeakPolarHBondContact O-CB 3.46Å; A483-A487 PolarHBondContact O-N 3.06Å; L484-A487 PolarHBondContact O-N 3.45Å; A487-F489 VanDerWaalsContact C-N 3.32Å; A487-F489 PolarHBondContact O-N 3.49Å; A487-I490 PolarHBondContact O-N 2.88Å; A487-I491 WeakPolarHBondContact O-CB 3.33Å; A487-I491 WeakPolarHBondContact O-CD1 3.36Å; A487-I491 VanDerWaalsContact O-CG1 3.25Å; A487-I491 WeakPolarHBondContact O-CG1 3.32Å; A487-I491 PolarHBondContact O-N 3.12Å
488	N	94.2	Very high	90.2	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.134	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-43.7	175.3	-179.6	63.6	0	0	0	112.3	L484 V485 A486 I491 S492 N533 L536 I540	L484-N488 VanDerWaalsContact O-CB 3.31Å; L484-N488 WeakPolarHBondContact O-CB 3.44Å; L484-N488 PolarHBondContact O-N 3.06Å; V485-N488 WeakPolarHBondContact O-CB 3.26Å; V485-N488 PolarHBondContact O-N 3.47Å; A486-N488 VanDerWaalsContact C-N 3.32Å; A486-N488 PolarHBondContact O-N 3.17Å; N488-I491 PolarHBondContact O-N 2.9Å; N488-S492 VanDerWaalsContact O-CB 3.3Å; N488-S492 WeakPolarHBondContact O-CB 3.4Å; N488-S492 PolarHBondContact O-N 3.17Å; N488-S492 PolarHBondContact O-OG 3.36Å; N488-N533 PolarHBondContact ND2-OD1 2.88Å; N488-L536 WeakPolarHBondContact OD1-CD1 3.38Å; N488-I540 HydrophobicContact CB-CD1 4.04Å
489	F	93.1	Very high	89.6	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-49.2	175.1	-179.3	-102.2	0	0	0	111.5	V124 S127 A128 L131 F244 V485 A486 A487 I491 S492 Y493 N533	V124-F489 HydrophobicContact CG1-CZ 4.2Å; S127-F489 VanDerWaalsContact CB-CE2 3.45Å; A128-F489 HydrophobicContact CB-CE1 3.56Å; A128-F489 HydrophobicContact CB-CZ 3.75Å; L131-F489 HydrophobicContact CD1-CB 3.42Å; L131-F489 VanDerWaalsContact CD1-CB 3.42Å; L131-F489 HydrophobicContact CD1-CD1 3.43Å; L131-F489 VanDerWaalsContact CD1-CD1 3.43Å; L131-F489 HydrophobicContact CD1-CD2 3.83Å; L131-F489 HydrophobicContact CD1-CE1 4.04Å; L131-F489 HydrophobicContact CD1-CE2 4.44Å; L131-F489 HydrophobicContact CD1-CG 3.28Å; F244-F489 HydrophobicContact CD1-CE1 4.38Å; F244-F489 AromaticContact CE1-CD1 3.9Å; F244-F489 HydrophobicContact CE1-CD1 3.9Å; F244-F489 AromaticContact CE1-CE1 3.46Å; F244-F489 HydrophobicContact CE1-CE1 3.46Å; F244-F489 VanDerWaalsContact CE1-CE1 3.46Å; F244-F489 HydrophobicContact CE1-CZ 4.43Å; F244-F489 HydrophobicContact CZ-CD1 4.28Å; F244-F489 HydrophobicContact CZ-CE1 4.02Å; V485-F489 PolarHBondContact O-N 2.98Å; V485-F489 VanDerWaalsContact O-N 3.09Å; A486-F489 WeakPolarHBondContact O-CB 3.3Å; A486-F489 PolarHBondContact O-N 2.98Å; A487-F489 VanDerWaalsContact C-N 3.32Å; A487-F489 PolarHBondContact O-N 3.49Å; F489-I491 PolarHBondContact O-N 3.34Å; F489-S492 PolarHBondContact O-N 3.1Å; F489-S492 PolarHBondContact O-OG 3.46Å; F489-S492 VanDerWaalsContact O-OG 3.07Å; F489-Y493 AromaticContact CD2-CD2 3.47Å; F489-Y493 HydrophobicContact CD2-CD2 3.47Å; F489-Y493 VanDerWaalsContact CD2-CD2 3.47Å; F489-Y493 AromaticContact CD2-CE2 3.36Å; F489-Y493 HydrophobicContact CD2-CE2 3.36Å; F489-Y493 AromaticContact CE2-CD2 3.45Å; F489-Y493 HydrophobicContact CE2-CD2 3.45Å; F489-Y493 VanDerWaalsContact CE2-CD2 3.45Å; F489-Y493 AromaticContact CE2-CE2 3.15Å; F489-Y493 HydrophobicContact CE2-CE2 3.15Å; F489-Y493 HydrophobicContact CE2-CG 4.3Å; F489-Y493 AromaticContact CE2-CZ 3.83Å; F489-Y493 HydrophobicContact CG-CD2 4.05Å; F489-Y493 HydrophobicContact CG-CE2 4.36Å; F489-Y493 HydrophobicContact CZ-CD2 4.03Å; F489-Y493 HydrophobicContact CZ-CE2 4.06Å; F489-Y493 HydrophobicContact CZ-CG 4.49Å; F489-Y493 WeakPolarHBondContact O-CB 3.1Å; F489-Y493 VanDerWaalsContact O-CD2 3.29Å; F489-Y493 WeakPolarHBondContact O-CD2 3.48Å; F489-Y493 PolarHBondContact O-N 3.25Å; F489-Y493 VanDerWaalsContact O-N 3.07Å; F489-N533 VanDerWaalsContact CA-OD1 3.3Å; F489-N533 WeakPolarHBondContact CA-OD1 3.42Å; F489-N533 PolarHBondContact N-OD1 2.77Å
490	I	91.7	Very high	88.8	Confident	39 Å²	39	34.9 Å²	34.9	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-48.6	178.6	-65.7	168.5	0	0	0	111.1	F244 A486 A487 T494	F244-I490 HydrophobicContact CB-CD1 4.48Å; F244-I490 HydrophobicContact CB-CG1 4.34Å; F244-I490 HydrophobicContact CD1-CG1 4.22Å; F244-I490 HydrophobicContact CD2-CB 4.26Å; F244-I490 HydrophobicContact CD2-CG1 4.02Å; F244-I490 HydrophobicContact CD2-CG2 3.81Å; F244-I490 HydrophobicContact CE2-CB 4.35Å; F244-I490 HydrophobicContact CE2-CG1 4.35Å; F244-I490 HydrophobicContact CE2-CG2 4.14Å; F244-I490 HydrophobicContact CG-CG1 3.93Å; F244-I490 HydrophobicContact CG-CG2 4.47Å; A486-I490 WeakPolarHBondContact O-CG1 3.34Å; A486-I490 PolarHBondContact O-N 2.95Å; A487-I490 PolarHBondContact O-N 2.88Å; I490-T494 WeakPolarHBondContact O-CB 3.27Å; I490-T494 PolarHBondContact O-N 3.33Å; I490-T494 PolarHBondContact O-OG1 3.36Å
491	I	91.2	Very high	87.8	Confident	114 Å²	114	32.3 Å²	32.3	59%	0.585	18%	0.184	S	C	*	.	H	α-helix	trans	-63.9	-45.9	-177.1	-67.3	164.9	0	0	0	111.4	A487 N488 F489 P495 M529	A487-I491 WeakPolarHBondContact O-CB 3.33Å; A487-I491 WeakPolarHBondContact O-CD1 3.36Å; A487-I491 VanDerWaalsContact O-CG1 3.25Å; A487-I491 WeakPolarHBondContact O-CG1 3.32Å; A487-I491 PolarHBondContact O-N 3.12Å; N488-I491 PolarHBondContact O-N 2.9Å; F489-I491 PolarHBondContact O-N 3.34Å; I491-P495 VanDerWaalsContact O-CD 3.3Å; I491-P495 WeakPolarHBondContact O-CD 3.18Å; I491-M529 WeakPolarHBondContact O-CE 3.45Å
492	S	91.1	Very high	86.7	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-34.2	-177.3	55.7	0	0	0	0	113.3	N488 F489 Y530 N533	N488-S492 VanDerWaalsContact O-CB 3.3Å; N488-S492 WeakPolarHBondContact O-CB 3.4Å; N488-S492 PolarHBondContact O-N 3.17Å; N488-S492 PolarHBondContact O-OG 3.36Å; F489-S492 PolarHBondContact O-N 3.1Å; F489-S492 PolarHBondContact O-OG 3.46Å; F489-S492 VanDerWaalsContact O-OG 3.07Å; S492-Y530 VanDerWaalsContact O-CA 3.32Å; S492-Y530 WeakPolarHBondContact O-CA 2.93Å; S492-Y530 PolarHBondContact O-N 2.98Å; S492-N533 WeakPolarHBondContact OG-CB 3.32Å
493	Y	88.6	Confident	85.4	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-86.3	-21.9	-179.5	-83.6	-85.2	0	0	0	114.4	V124 F489 Y496 L497 Y530 N533	V124-Y493 HydrophobicContact CB-CD1 4.47Å; V124-Y493 HydrophobicContact CB-CE1 3.87Å; V124-Y493 HydrophobicContact CG1-CD1 3.35Å; V124-Y493 HydrophobicContact CG1-CE1 3.11Å; V124-Y493 HydrophobicContact CG1-CG 4.17Å; V124-Y493 HydrophobicContact CG2-CD1 4.29Å; V124-Y493 HydrophobicContact CG2-CE1 3.42Å; V124-Y493 VanDerWaalsContact CG2-CE1 3.42Å; F489-Y493 AromaticContact CD2-CD2 3.47Å; F489-Y493 HydrophobicContact CD2-CD2 3.47Å; F489-Y493 VanDerWaalsContact CD2-CD2 3.47Å; F489-Y493 AromaticContact CD2-CE2 3.36Å; F489-Y493 HydrophobicContact CD2-CE2 3.36Å; F489-Y493 AromaticContact CE2-CD2 3.45Å; F489-Y493 HydrophobicContact CE2-CD2 3.45Å; F489-Y493 VanDerWaalsContact CE2-CD2 3.45Å; F489-Y493 AromaticContact CE2-CE2 3.15Å; F489-Y493 HydrophobicContact CE2-CE2 3.15Å; F489-Y493 HydrophobicContact CE2-CG 4.3Å; F489-Y493 AromaticContact CE2-CZ 3.83Å; F489-Y493 HydrophobicContact CG-CD2 4.05Å; F489-Y493 HydrophobicContact CG-CE2 4.36Å; F489-Y493 HydrophobicContact CZ-CD2 4.03Å; F489-Y493 HydrophobicContact CZ-CE2 4.06Å; F489-Y493 HydrophobicContact CZ-CG 4.49Å; F489-Y493 WeakPolarHBondContact O-CB 3.1Å; F489-Y493 VanDerWaalsContact O-CD2 3.29Å; F489-Y493 WeakPolarHBondContact O-CD2 3.48Å; F489-Y493 PolarHBondContact O-N 3.25Å; F489-Y493 VanDerWaalsContact O-N 3.07Å; Y493-Y496 WeakPolarHBondContact O-CB 3.23Å; Y493-Y496 PolarHBondContact O-N 3.15Å; Y493-Y496 VanDerWaalsContact O-N 3.14Å; Y493-L497 PolarHBondContact O-N 3Å; Y493-Y530 VanDerWaalsContact CD1-CB 3.46Å; Y493-Y530 HydrophobicContact CD1-CD2 4.39Å; Y493-Y530 HydrophobicContact CD1-CG 4.12Å; Y493-Y530 VanDerWaalsContact CE1-CB 3.43Å; Y493-Y530 AromaticContact CE1-CD2 3.54Å; Y493-Y530 HydrophobicContact CE1-CD2 3.54Å; Y493-Y530 AromaticContact CE1-CG 3.72Å; Y493-Y530 HydrophobicContact CE1-CG 3.72Å; Y493-Y530 AromaticContact CZ-CD2 3.87Å; Y493-N533 HydrophobicContact CE2-CB 3.96Å
494	T	85.4	Confident	83.9	Confident	59 Å²	59	39.8 Å²	39.8	36%	0.362	22%	0.22	S	C	.	.	H	α-helix	trans	-54.2	-46.4	-177.9	-65.9	0	0	0	0	113.3	I490 Y496 L497 V498	I490-T494 WeakPolarHBondContact O-CB 3.27Å; I490-T494 PolarHBondContact O-N 3.33Å; I490-T494 PolarHBondContact O-OG1 3.36Å; T494-Y496 VanDerWaalsContact C-N 3.31Å; T494-Y496 PolarHBondContact O-N 3.1Å; T494-L497 PolarHBondContact O-N 2.91Å; T494-V498 HydrophobicContact CG2-CG2 4.16Å; T494-V498 WeakPolarHBondContact O-CG2 3.11Å; T494-V498 PolarHBondContact O-N 3.31Å
495	P	85.2	Confident	82.2	Confident	34 Å²	34	45.6 Å²	45.6	22%	0.221	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-37.3	178.9	-26.1	36.7	0	0	0	113.8	I491 Y499 M529	I491-P495 VanDerWaalsContact O-CD 3.3Å; I491-P495 WeakPolarHBondContact O-CD 3.18Å; P495-Y499 VanDerWaalsContact O-CB 3.3Å; P495-Y499 WeakPolarHBondContact O-CB 3.34Å; P495-Y499 PolarHBondContact O-N 3.35Å; P495-M529 HydrophobicContact CG-CE 3.54Å; P495-M529 HydrophobicContact CG-SD 4.07Å
496	Y	83.2	Confident	80.6	Confident	29 Å²	29	52.2 Å²	52.2	11%	0.114	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-47.6	175.6	173.3	-98.1	0	0	0	111	Y493 T494 V498 Y499 T500 F527 Y530	Y493-Y496 WeakPolarHBondContact O-CB 3.23Å; Y493-Y496 PolarHBondContact O-N 3.15Å; Y493-Y496 VanDerWaalsContact O-N 3.14Å; T494-Y496 VanDerWaalsContact C-N 3.31Å; T494-Y496 PolarHBondContact O-N 3.1Å; Y496-V498 PolarHBondContact O-N 3.48Å; Y496-Y499 PolarHBondContact O-N 3.2Å; Y496-T500 HydrophobicContact CD1-CG2 4.34Å; Y496-T500 HydrophobicContact CD2-CG2 4.18Å; Y496-T500 HydrophobicContact CE1-CG2 3.94Å; Y496-T500 HydrophobicContact CE2-CG2 3.77Å; Y496-T500 HydrophobicContact CG-CG2 4.45Å; Y496-T500 WeakPolarHBondContact O-CG2 3.36Å; Y496-T500 PolarHBondContact O-N 3.43Å; Y496-T500 PolarHBondContact O-OG1 3.05Å; Y496-F527 AromaticContact CD2-CD2 3.82Å; Y496-F527 HydrophobicContact CD2-CD2 3.82Å; Y496-F527 AromaticContact CD2-CE2 3.55Å; Y496-F527 HydrophobicContact CD2-CE2 3.55Å; Y496-F527 HydrophobicContact CD2-CZ 4.08Å; Y496-F527 HydrophobicContact CE2-CD2 4.18Å; Y496-F527 AromaticContact CE2-CE2 3.43Å; Y496-F527 HydrophobicContact CE2-CE2 3.43Å; Y496-F527 VanDerWaalsContact CE2-CE2 3.43Å; Y496-F527 AromaticContact CE2-CZ 3.64Å; Y496-F527 HydrophobicContact CE2-CZ 3.64Å; Y496-Y530 AromaticContact CD2-CD1 3.73Å; Y496-Y530 HydrophobicContact CD2-CD1 3.73Å; Y496-Y530 AromaticContact CD2-CE1 3.65Å; Y496-Y530 HydrophobicContact CD2-CE1 3.65Å; Y496-Y530 HydrophobicContact CE2-CD1 4.49Å; Y496-Y530 HydrophobicContact CE2-CE1 4.03Å; Y496-Y530 AromaticContact CG-CD1 3.85Å; Y496-Y530 HydrophobicContact CG-CD1 3.85Å; Y496-Y530 HydrophobicContact CG-CE1 4.21Å
497	L	80.9	Confident	79.1	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-41.3	177.5	-66	176.5	0	0	0	112.3	L237 F240 F244 Y493 T494 Y499 T500 T501	L237-L497 HydrophobicContact CD1-CB 3.89Å; L237-L497 HydrophobicContact CD1-CD2 4.31Å; F240-L497 HydrophobicContact CB-CD1 4Å; F240-L497 HydrophobicContact CB-CD2 4.19Å; F240-L497 HydrophobicContact CD2-CD2 3.77Å; F240-L497 HydrophobicContact CE2-CD2 4.4Å; F240-L497 HydrophobicContact CG-CD1 4.31Å; F240-L497 HydrophobicContact CG-CD2 3.99Å; F244-L497 HydrophobicContact CD2-CD1 4.34Å; F244-L497 HydrophobicContact CE2-CD1 3.55Å; F244-L497 HydrophobicContact CZ-CD1 3.8Å; Y493-L497 PolarHBondContact O-N 3Å; T494-L497 PolarHBondContact O-N 2.91Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; L497-T500 PolarHBondContact O-OG1 3.11Å; L497-T501 WeakPolarHBondContact O-CG2 3.48Å; L497-T501 PolarHBondContact O-N 3.05Å; L497-T501 PolarHBondContact O-OG1 2.9Å
498	V	78.6	Confident	77.1	Confident	75 Å²	75	59 Å²	59	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-39.3	175.5	173.6	0	0	0	0	110.8	T494 Y496 T501 M502	T494-V498 HydrophobicContact CG2-CG2 4.16Å; T494-V498 WeakPolarHBondContact O-CG2 3.11Å; T494-V498 PolarHBondContact O-N 3.31Å; Y496-V498 PolarHBondContact O-N 3.48Å; V498-T501 WeakPolarHBondContact CA-OG1 3.5Å; V498-T501 PolarHBondContact O-N 2.57Å; V498-T501 PolarHBondContact O-OG1 3.4Å; V498-M502 HydrophobicContact CG1-CE 4.11Å; V498-M502 WeakPolarHBondContact O-CG 3.03Å; V498-M502 PolarHBondContact O-N 2.8Å
499	Y	76.6	Confident	74.8	Confident	55 Å²	55	64.1 Å²	64.1	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-44.4	177.5	-178.8	-93.1	0	0	0	112.5	P495 Y496 L497 T501 M502 R507 R523 F527	P495-Y499 VanDerWaalsContact O-CB 3.3Å; P495-Y499 WeakPolarHBondContact O-CB 3.34Å; P495-Y499 PolarHBondContact O-N 3.35Å; Y496-Y499 PolarHBondContact O-N 3.2Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; Y499-T501 PolarHBondContact O-N 3.49Å; Y499-M502 PolarHBondContact O-N 3.32Å; Y499-R507 PolarHBondContact O-NE 2.95Å; Y499-R507 PolarHBondContact O-NH2 3.46Å; Y499-R523 HydrophobicContact CD2-CG 4.37Å; Y499-R523 HydrophobicContact CE2-CG 3.86Å; Y499-F527 AromaticContact CD1-CD2 3.19Å; Y499-F527 HydrophobicContact CD1-CD2 3.19Å; Y499-F527 AromaticContact CD1-CE2 3.49Å; Y499-F527 HydrophobicContact CD1-CE2 3.49Å; Y499-F527 VanDerWaalsContact CD1-CE2 3.49Å; Y499-F527 HydrophobicContact CD1-CG 4.31Å; Y499-F527 AromaticContact CE1-CD2 3.48Å; Y499-F527 HydrophobicContact CE1-CD2 3.48Å; Y499-F527 VanDerWaalsContact CE1-CD2 3.48Å; Y499-F527 AromaticContact CE1-CE2 3.64Å; Y499-F527 HydrophobicContact CE1-CE2 3.64Å; Y499-F527 HydrophobicContact CE1-CG 4.35Å; Y499-F527 AromaticContact CG-CD2 3.88Å; Y499-F527 HydrophobicContact CG-CD2 3.88Å
500	T	73.6	Confident	72.9	Confident	10 Å²	10	67.6 Å²	67.6	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-71.4	-8.1	-179.8	58.5	0	0	0	0	113.8	Y496 L497 R507 F527	Y496-T500 HydrophobicContact CD1-CG2 4.34Å; Y496-T500 HydrophobicContact CD2-CG2 4.18Å; Y496-T500 HydrophobicContact CE1-CG2 3.94Å; Y496-T500 HydrophobicContact CE2-CG2 3.77Å; Y496-T500 HydrophobicContact CG-CG2 4.45Å; Y496-T500 WeakPolarHBondContact O-CG2 3.36Å; Y496-T500 PolarHBondContact O-N 3.43Å; Y496-T500 PolarHBondContact O-OG1 3.05Å; L497-T500 PolarHBondContact O-OG1 3.11Å; T500-R507 VanDerWaalsContact CA-NH2 3.3Å; T500-R507 PolarHBondContact O-NH2 3.45Å; T500-F527 HydrophobicContact CG2-CE2 4.4Å
501	T	70.5	Confident	71.1	Confident	47 Å²	47	69.3 Å²	69.3	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-97.4	-18	173.8	51.5	0	0	0	0	113.6	L237 L497 V498 Y499	L237-T501 HydrophobicContact CB-CG2 4.07Å; L237-T501 HydrophobicContact CD1-CG2 3.48Å; L237-T501 VanDerWaalsContact CD1-CG2 3.48Å; L237-T501 HydrophobicContact CD2-CG2 3.27Å; L237-T501 HydrophobicContact CG-CG2 3.72Å; L497-T501 WeakPolarHBondContact O-CG2 3.48Å; L497-T501 PolarHBondContact O-N 3.05Å; L497-T501 PolarHBondContact O-OG1 2.9Å; V498-T501 WeakPolarHBondContact CA-OG1 3.5Å; V498-T501 PolarHBondContact O-N 2.57Å; V498-T501 PolarHBondContact O-OG1 3.4Å; Y499-T501 PolarHBondContact O-N 3.49Å
502	M	69.7	Low	69.3	Low	88 Å²	88	71 Å²	71	43%	0.433	35%	0.354	S	S	.	.	S	Bend	trans	-60.5	131.1	174.6	-66.5	-171.8	-176.7	0	0	109.9	V498 Y499 I504 R507	V498-M502 HydrophobicContact CG1-CE 4.11Å; V498-M502 WeakPolarHBondContact O-CG 3.03Å; V498-M502 PolarHBondContact O-N 2.8Å; Y499-M502 PolarHBondContact O-N 3.32Å; M502-I504 PolarHBondContact O-N 2.98Å; M502-R507 HydrophobicContact CB-CG 4.27Å; M502-R507 PolarHBondContact O-NE 3.48Å; M502-R507 PolarHBondContact O-NH2 3.39Å
503	P	67.1	Low	67.4	Low	56 Å²	56	79 Å²	79	36%	0.364	39%	0.388	S	S	.	.			trans	-58.9	139.8	179.8	22	-31.3	0	0	0	110.2	R505 K506 R507	P503-R505 PolarHBondContact O-N 3.44Å; P503-R505 VanDerWaalsContact O-N 3.09Å; P503-K506 HydrophobicContact CG-CB 4.14Å; P503-K506 HydrophobicContact CG-CD 3.89Å; P503-K506 HydrophobicContact CG-CG 3.94Å; P503-K506 WeakPolarHBondContact O-CA 3.47Å; P503-K506 PolarHBondContact O-N 2.96Å; P503-R507 PolarHBondContact O-N 2.68Å
504	I	62.9	Low	65.9	Low	51 Å²	51	86.5 Å²	86.5	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-51.1	-41	-173.5	-60.4	169.2	0	0	0	111.1	D226 M502 K506 R507 Q508	D226-I504 HydrophobicContact CB-CD1 4.46Å; M502-I504 PolarHBondContact O-N 2.98Å; I504-K506 VanDerWaalsContact C-N 3.29Å; I504-K506 PolarHBondContact O-N 3.04Å; I504-R507 WeakPolarHBondContact O-CA 3.42Å; I504-R507 WeakPolarHBondContact O-CB 3.32Å; I504-R507 PolarHBondContact O-N 2.79Å; I504-Q508 PolarHBondContact O-N 2.97Å; I504-Q508 VanDerWaalsContact O-N 3.15Å
505	R	58.7	Low	64.8	Low	209 Å²	209	90.1 Å²	90.1	79%	0.789	44%	0.439	S	S	*	.	H	α-helix	trans	-54.2	-42	176	-60.6	-175	-171	176.1	2.1	112.4	P503 L509	P503-R505 PolarHBondContact O-N 3.44Å; P503-R505 VanDerWaalsContact O-N 3.09Å; R505-L509 WeakPolarHBondContact O-CB 3.22Å; R505-L509 PolarHBondContact O-N 3.15Å
506	K	60.9	Low	63.8	Low	140 Å²	140	91.4 Å²	91.4	61%	0.609	45%	0.448	S	S	*	.	H	α-helix	trans	-74.9	-21.5	176	-70.4	-171.7	179.2	-177	0	113.2	P503 I504 V510	P503-K506 HydrophobicContact CG-CB 4.14Å; P503-K506 HydrophobicContact CG-CD 3.89Å; P503-K506 HydrophobicContact CG-CG 3.94Å; P503-K506 WeakPolarHBondContact O-CA 3.47Å; P503-K506 PolarHBondContact O-N 2.96Å; I504-K506 VanDerWaalsContact C-N 3.29Å; I504-K506 PolarHBondContact O-N 3.04Å; K506-V510 WeakPolarHBondContact O-CG2 3.34Å
507	R	63.5	Low	63	Low	49 Å²	49	95.8 Å²	95.8	19%	0.185	47%	0.469	C	S	.	.	H	α-helix	trans	-73.1	-36.3	175.5	-60.2	-171.8	-167.1	169.4	13.1	112.4	Y499 T500 M502 P503 I504 R523	Y499-R507 PolarHBondContact O-NE 2.95Å; Y499-R507 PolarHBondContact O-NH2 3.46Å; T500-R507 VanDerWaalsContact CA-NH2 3.3Å; T500-R507 PolarHBondContact O-NH2 3.45Å; M502-R507 HydrophobicContact CB-CG 4.27Å; M502-R507 PolarHBondContact O-NE 3.48Å; M502-R507 PolarHBondContact O-NH2 3.39Å; P503-R507 PolarHBondContact O-N 2.68Å; I504-R507 WeakPolarHBondContact O-CA 3.42Å; I504-R507 WeakPolarHBondContact O-CB 3.32Å; I504-R507 PolarHBondContact O-N 2.79Å; R507-R523 PolarHBondContact O-NH1 3.29Å
508	Q	51.8	Low	62.4	Low	133 Å²	133	102.6 Å²	102.6	62%	0.621	49%	0.494	S	S	*	.	H	α-helix	trans	-88.1	-40.5	179.6	-70.4	179.3	-31.3	0	0	112.4	I504 V510 L511	I504-Q508 PolarHBondContact O-N 2.97Å; I504-Q508 VanDerWaalsContact O-N 3.15Å; Q508-V510 PolarHBondContact O-N 3.34Å; Q508-V510 VanDerWaalsContact O-N 3.08Å; Q508-L511 WeakPolarHBondContact O-CB 3.44Å; Q508-L511 PolarHBondContact O-N 2.78Å
509	L	46.8	Very low	61.9	Low	134 Å²	134	100.7 Å²	100.7	70%	0.702	48%	0.482	S	S	*	.	H	α-helix	trans	-67.2	-13.7	-173.8	-163	74.2	0	0	0	114.5	R505 L511	R505-L509 WeakPolarHBondContact O-CB 3.22Å; R505-L509 PolarHBondContact O-N 3.15Å; L509-L511 PolarHBondContact O-N 3.31Å
510	V	52.1	Low	61.5	Low	77 Å²	77	99.3 Å²	99.3	47%	0.467	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.1	175.2	179.5	0	0	0	0	112.4	K506 Q508 K515	K506-V510 WeakPolarHBondContact O-CG2 3.34Å; Q508-V510 PolarHBondContact O-N 3.34Å; Q508-V510 VanDerWaalsContact O-N 3.08Å; V510-K515 HydrophobicContact CG1-CD 4.25Å
511	L	54	Low	61.3	Low	74 Å²	74	100.2 Å²	100.2	39%	0.387	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	5.2	179	-79.6	155	0	0	0	115	Y37 Q508 L509 I520	Y37-L511 HydrophobicContact CE1-CD2 4.32Å; Y37-L511 WeakPolarHBondContact OH-CD2 3.48Å; Q508-L511 WeakPolarHBondContact O-CB 3.44Å; Q508-L511 PolarHBondContact O-N 2.78Å; L509-L511 PolarHBondContact O-N 3.31Å; L511-I520 HydrophobicContact CD2-CD1 4.33Å
512	L	53.5	Low	61.4	Low	150 Å²	150	101.1 Å²	101.1	79%	0.785	49%	0.487	S	S	*	.	S	Bend	trans	-128.4	22.1	-170.2	-83	163.7	0	0	0	116.3
513	K	51.1	Low	61.6	Low	171 Å²	171	100.3 Å²	100.3	74%	0.743	48%	0.479	S	S	*	.	S	Bend	trans	-160.3	114.7	171.2	-136.3	168.4	-179.3	176.4	0	114.5	K515	K513-K515 VanDerWaalsContact C-N 3.32Å; K513-K515 PolarHBondContact O-N 2.96Å
514	D	58.6	Low	62.1	Low	160 Å²	160	100.2 Å²	100.2	86%	0.856	47%	0.472	S	S	*	.			trans	42.8	35.6	153.7	-56.6	-34.4	0	0	0	118.9
515	K	60.9	Low	62.8	Low	134 Å²	134	99.9 Å²	99.9	58%	0.583	47%	0.472	S	S	*	.			trans	-104.2	138.2	172.6	-71.4	-165.7	-179.3	-171.6	0	111.4	V510 K513 T519	V510-K515 HydrophobicContact CG1-CD 4.25Å; K513-K515 VanDerWaalsContact C-N 3.32Å; K513-K515 PolarHBondContact O-N 2.96Å; K515-T519 HydrophobicContact CB-CG2 4.35Å
516	P	65.6	Low	63.7	Low	62 Å²	62	93.7 Å²	93.7	40%	0.403	45%	0.454	S	S	.	.			trans	-63.6	144.6	-177.1	26.6	-34.9	0	0	0	110.8	W518 T519	P516-W518 VanDerWaalsContact CB-CD1 3.47Å; P516-W518 HydrophobicContact CB-CG 4.39Å; P516-W518 HydrophobicContact CG-CD2 4.37Å; P516-W518 HydrophobicContact CG-CG 4.39Å; P516-W518 HydrophobicContact CG-CZ2 4.01Å; P516-W518 PolarHBondContact O-N 3.47Å; P516-T519 HydrophobicContact CG-CG2 3.99Å; P516-T519 WeakPolarHBondContact O-CB 3.44Å; P516-T519 WeakPolarHBondContact O-CG2 3.44Å; P516-T519 PolarHBondContact O-N 3.09Å; P516-T519 PolarHBondContact O-OG1 2.7Å
517	H	66.1	Low	64.7	Low	120 Å²	120	88.8 Å²	88.8	56%	0.556	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-31.7	-173.5	-62	-85.5	0	0	0	113.7	T519 I520	H517-T519 PolarHBondContact O-N 3.32Å; H517-T519 VanDerWaalsContact O-N 3.15Å; H517-I520 PolarHBondContact O-N 3.13Å
518	W	67	Low	65.9	Low	159 Å²	159	87.2 Å²	87.2	60%	0.602	43%	0.427	S	S	*	.	H	α-helix	trans	-59.5	-24	177.2	69.1	-104.3	0	0	0	113.6	P516 I520 Q521 V522	P516-W518 VanDerWaalsContact CB-CD1 3.47Å; P516-W518 HydrophobicContact CB-CG 4.39Å; P516-W518 HydrophobicContact CG-CD2 4.37Å; P516-W518 HydrophobicContact CG-CG 4.39Å; P516-W518 HydrophobicContact CG-CZ2 4.01Å; P516-W518 PolarHBondContact O-N 3.47Å; W518-I520 PolarHBondContact O-N 3.45Å; W518-Q521 WeakPolarHBondContact O-CA 3.47Å; W518-Q521 WeakPolarHBondContact O-CB 3.35Å; W518-Q521 PolarHBondContact O-N 3.15Å; W518-Q521 VanDerWaalsContact O-N 3.15Å; W518-V522 HydrophobicContact CE3-CB 4.38Å; W518-V522 HydrophobicContact CE3-CG2 3.75Å; W518-V522 HydrophobicContact CZ3-CG2 4.18Å; W518-V522 WeakPolarHBondContact O-CG2 3.41Å; W518-V522 PolarHBondContact O-N 3.47Å
519	T	69.8	Low	67.6	Low	36 Å²	36	83 Å²	83	22%	0.221	41%	0.408	C	S	.	.	H	α-helix	trans	-67	-37.1	179.2	57.7	0	0	0	0	112.5	K515 P516 H517 Q521 R523	K515-T519 HydrophobicContact CB-CG2 4.35Å; P516-T519 HydrophobicContact CG-CG2 3.99Å; P516-T519 WeakPolarHBondContact O-CB 3.44Å; P516-T519 WeakPolarHBondContact O-CG2 3.44Å; P516-T519 PolarHBondContact O-N 3.09Å; P516-T519 PolarHBondContact O-OG1 2.7Å; H517-T519 PolarHBondContact O-N 3.32Å; H517-T519 VanDerWaalsContact O-N 3.15Å; T519-Q521 VanDerWaalsContact C-N 3.26Å; T519-Q521 PolarHBondContact O-N 2.85Å; T519-R523 VanDerWaalsContact O-CB 3.29Å; T519-R523 WeakPolarHBondContact O-CB 3.31Å; T519-R523 PolarHBondContact O-N 2.96Å
520	I	67.4	Low	69.6	Low	26 Å²	26	77 Å²	77	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-38.6	173.5	-60.3	172.4	0	0	0	109.4	I36 Y37 L511 H517 W518 R524	I36-I520 HydrophobicContact CG2-CD1 3.7Å; Y37-I520 HydrophobicContact CD1-CG2 4.16Å; Y37-I520 HydrophobicContact CE1-CG2 4.25Å; L511-I520 HydrophobicContact CD2-CD1 4.33Å; H517-I520 PolarHBondContact O-N 3.13Å; W518-I520 PolarHBondContact O-N 3.45Å; I520-R524 PolarHBondContact O-N 2.87Å
521	Q	69.2	Low	71.6	Confident	29 Å²	29	73.4 Å²	73.4	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-57.1	177.3	-50.1	-56.6	-9.9	0	0	112.8	S40 W518 T519 R523 R524 V525	S40-Q521 VanDerWaalsContact CA-CD 3.45Å; S40-Q521 VanDerWaalsContact CB-CD 3.46Å; S40-Q521 PolarHBondContact OG-OE1 2.91Å; W518-Q521 WeakPolarHBondContact O-CA 3.47Å; W518-Q521 WeakPolarHBondContact O-CB 3.35Å; W518-Q521 PolarHBondContact O-N 3.15Å; W518-Q521 VanDerWaalsContact O-N 3.15Å; T519-Q521 VanDerWaalsContact C-N 3.26Å; T519-Q521 PolarHBondContact O-N 2.85Å; Q521-R523 PolarHBondContact O-N 3.47Å; Q521-R524 PolarHBondContact O-N 3.33Å; Q521-R524 VanDerWaalsContact O-N 3.15Å; Q521-V525 WeakPolarHBondContact O-CG2 3.41Å; Q521-V525 PolarHBondContact O-N 3.2Å
522	V	72.5	Confident	73.4	Confident	66 Å²	66	72 Å²	72	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-41	-179.1	171	0	0	0	0	109.8	W518 R524 V525 L526	W518-V522 HydrophobicContact CE3-CB 4.38Å; W518-V522 HydrophobicContact CE3-CG2 3.75Å; W518-V522 HydrophobicContact CZ3-CG2 4.18Å; W518-V522 WeakPolarHBondContact O-CG2 3.41Å; W518-V522 PolarHBondContact O-N 3.47Å; V522-R524 PolarHBondContact O-N 3.27Å; V522-V525 PolarHBondContact O-N 3.01Å; V522-L526 HydrophobicContact CG1-CD1 3.62Å; V522-L526 HydrophobicContact CG1-CG 4.04Å; V522-L526 VanDerWaalsContact O-CB 3.23Å; V522-L526 WeakPolarHBondContact O-CB 3.39Å; V522-L526 WeakPolarHBondContact O-CG 3.44Å; V522-L526 PolarHBondContact O-N 2.95Å
523	R	75	Confident	75.3	Confident	70 Å²	70	64.9 Å²	64.9	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-45.1	176.8	-173.7	178.6	71.1	146.7	-4.7	112.7	Y499 R507 T519 Q521 F527	Y499-R523 HydrophobicContact CD2-CG 4.37Å; Y499-R523 HydrophobicContact CE2-CG 3.86Å; R507-R523 PolarHBondContact O-NH1 3.29Å; T519-R523 VanDerWaalsContact O-CB 3.29Å; T519-R523 WeakPolarHBondContact O-CB 3.31Å; T519-R523 PolarHBondContact O-N 2.96Å; Q521-R523 PolarHBondContact O-N 3.47Å; R523-F527 WeakPolarHBondContact O-CB 3.28Å; R523-F527 PolarHBondContact O-N 3.03Å
524	R	77	Confident	77.3	Confident	55 Å²	55	56.7 Å²	56.7	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-45.1	179	-168.3	-177.5	-71.8	-139.1	1.8	111	S40 S44 I520 Q521 V522 F527 Y528	S40-R524 VanDerWaalsContact OG-CD 3.31Å; S40-R524 WeakPolarHBondContact OG-CD 3.46Å; S40-R524 PolarHBondContact OG-NE 3.3Å; S44-R524 WeakPolarHBondContact OG-CD 3.37Å; S44-R524 WeakPolarHBondContact OG-CG 3.26Å; I520-R524 PolarHBondContact O-N 2.87Å; Q521-R524 PolarHBondContact O-N 3.33Å; Q521-R524 VanDerWaalsContact O-N 3.15Å; V522-R524 PolarHBondContact O-N 3.27Å; R524-F527 WeakPolarHBondContact O-CB 3.37Å; R524-F527 PolarHBondContact O-N 3.07Å; R524-Y528 HydrophobicContact CG-CD2 3.95Å; R524-Y528 HydrophobicContact CG-CE2 3.67Å; R524-Y528 WeakPolarHBondContact O-CD2 2.91Å; R524-Y528 PolarHBondContact O-N 3.38Å; R524-Y528 VanDerWaalsContact O-N 3.17Å
525	V	77.2	Confident	79	Confident	44 Å²	44	49.4 Å²	49.4	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-44.2	177.8	174.4	0	0	0	0	111.5	F47 Q521 V522 F527 Y528 M529	F47-V525 HydrophobicContact CE1-CG1 4.5Å; F47-V525 HydrophobicContact CZ-CG1 4.4Å; Q521-V525 WeakPolarHBondContact O-CG2 3.41Å; Q521-V525 PolarHBondContact O-N 3.2Å; V522-V525 PolarHBondContact O-N 3.01Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.13Å; V525-Y528 CarbonylContact O-C 3.58Å; V525-Y528 PolarHBondContact O-N 3.43Å; V525-Y528 VanDerWaalsContact O-N 3.1Å; V525-M529 PolarHBondContact O-N 3.13Å
526	L	78	Confident	80.6	Confident	79 Å²	79	45.6 Å²	45.6	41%	0.414	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-39.3	175.3	-74.8	174.4	0	0	0	111.9	V522 Y528 M529	V522-L526 HydrophobicContact CG1-CD1 3.62Å; V522-L526 HydrophobicContact CG1-CG 4.04Å; V522-L526 VanDerWaalsContact O-CB 3.23Å; V522-L526 WeakPolarHBondContact O-CB 3.39Å; V522-L526 WeakPolarHBondContact O-CG 3.44Å; V522-L526 PolarHBondContact O-N 2.95Å; L526-Y528 VanDerWaalsContact C-N 3.26Å; L526-Y528 PolarHBondContact O-N 3.08Å; L526-M529 HydrophobicContact CD2-SD 4.2Å; L526-M529 VanDerWaalsContact O-CB 3.29Å; L526-M529 WeakPolarHBondContact O-CB 3.44Å; L526-M529 PolarHBondContact O-N 2.68Å
527	F	82.6	Confident	81.9	Confident	36 Å²	36	42.7 Å²	42.7	16%	0.158	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-36.6	175.2	178.5	-103.1	0	0	0	112.1	Y496 Y499 T500 R523 R524 V525 Y530	Y496-F527 AromaticContact CD2-CD2 3.82Å; Y496-F527 HydrophobicContact CD2-CD2 3.82Å; Y496-F527 AromaticContact CD2-CE2 3.55Å; Y496-F527 HydrophobicContact CD2-CE2 3.55Å; Y496-F527 HydrophobicContact CD2-CZ 4.08Å; Y496-F527 HydrophobicContact CE2-CD2 4.18Å; Y496-F527 AromaticContact CE2-CE2 3.43Å; Y496-F527 HydrophobicContact CE2-CE2 3.43Å; Y496-F527 VanDerWaalsContact CE2-CE2 3.43Å; Y496-F527 AromaticContact CE2-CZ 3.64Å; Y496-F527 HydrophobicContact CE2-CZ 3.64Å; Y499-F527 AromaticContact CD1-CD2 3.19Å; Y499-F527 HydrophobicContact CD1-CD2 3.19Å; Y499-F527 AromaticContact CD1-CE2 3.49Å; Y499-F527 HydrophobicContact CD1-CE2 3.49Å; Y499-F527 VanDerWaalsContact CD1-CE2 3.49Å; Y499-F527 HydrophobicContact CD1-CG 4.31Å; Y499-F527 AromaticContact CE1-CD2 3.48Å; Y499-F527 HydrophobicContact CE1-CD2 3.48Å; Y499-F527 VanDerWaalsContact CE1-CD2 3.48Å; Y499-F527 AromaticContact CE1-CE2 3.64Å; Y499-F527 HydrophobicContact CE1-CE2 3.64Å; Y499-F527 HydrophobicContact CE1-CG 4.35Å; Y499-F527 AromaticContact CG-CD2 3.88Å; Y499-F527 HydrophobicContact CG-CD2 3.88Å; T500-F527 HydrophobicContact CG2-CE2 4.4Å; R523-F527 WeakPolarHBondContact O-CB 3.28Å; R523-F527 PolarHBondContact O-N 3.03Å; R524-F527 WeakPolarHBondContact O-CB 3.37Å; R524-F527 PolarHBondContact O-N 3.07Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.13Å; F527-Y530 WeakPolarHBondContact O-CD1 3.33Å; F527-Y530 WeakPolarHBondContact O-CE1 3.28Å
528	Y	88.2	Confident	83.3	Confident	16 Å²	16	37.4 Å²	37.4	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-93.9	3.1	178.8	-66.2	-62.7	0	0	0	114.5	T98 D102 I103 R524 V525 L526 Y530 F531	T98-Y528 HydrophobicContact CG2-CD1 4.22Å; T98-Y528 HydrophobicContact CG2-CE1 3.55Å; D102-Y528 WeakPolarHBondContact CB-OH 3.46Å; I103-Y528 HydrophobicContact CD1-CD2 4.09Å; I103-Y528 HydrophobicContact CD1-CE2 3.3Å; R524-Y528 HydrophobicContact CG-CD2 3.95Å; R524-Y528 HydrophobicContact CG-CE2 3.67Å; R524-Y528 WeakPolarHBondContact O-CD2 2.91Å; R524-Y528 PolarHBondContact O-N 3.38Å; R524-Y528 VanDerWaalsContact O-N 3.17Å; V525-Y528 CarbonylContact O-C 3.58Å; V525-Y528 PolarHBondContact O-N 3.43Å; V525-Y528 VanDerWaalsContact O-N 3.1Å; L526-Y528 VanDerWaalsContact C-N 3.26Å; L526-Y528 PolarHBondContact O-N 3.08Å; Y528-Y530 HydrophobicContact CD1-CE1 4.35Å; Y528-Y530 PolarHBondContact O-N 3.47Å; Y528-Y530 VanDerWaalsContact O-N 3.1Å; Y528-F531 HydrophobicContact CD1-CD2 4.16Å; Y528-F531 AromaticContact CD1-CE2 3.83Å; Y528-F531 HydrophobicContact CD1-CE2 3.83Å; Y528-F531 PolarHBondContact O-N 3.08Å; Y528-F531 VanDerWaalsContact O-N 3.15Å
529	M	87.2	Confident	84.5	Confident	45 Å²	45	33.9 Å²	33.9	22%	0.222	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.3	-26.1	-177.5	-165.2	-179.7	100.3	0	0	112.8	I491 P495 V525 L526 F531 I532	I491-M529 WeakPolarHBondContact O-CE 3.45Å; P495-M529 HydrophobicContact CG-CE 3.54Å; P495-M529 HydrophobicContact CG-SD 4.07Å; V525-M529 PolarHBondContact O-N 3.13Å; L526-M529 HydrophobicContact CD2-SD 4.2Å; L526-M529 VanDerWaalsContact O-CB 3.29Å; L526-M529 WeakPolarHBondContact O-CB 3.44Å; L526-M529 PolarHBondContact O-N 2.68Å; M529-F531 PolarHBondContact O-N 3.04Å; M529-I532 HydrophobicContact CG-CD1 3.78Å; M529-I532 VanDerWaalsContact O-CB 3.24Å; M529-I532 WeakPolarHBondContact O-CB 3.34Å; M529-I532 WeakPolarHBondContact O-CG1 3.34Å; M529-I532 PolarHBondContact O-N 3.16Å
530	Y	89.3	Confident	85.7	Confident	8 Å²	8	33.4 Å²	33.4	3%	0.031	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.2	179.4	70.4	-96.8	0	0	0	113.9	S492 Y493 Y496 F527 Y528 I532 N533	S492-Y530 VanDerWaalsContact O-CA 3.32Å; S492-Y530 WeakPolarHBondContact O-CA 2.93Å; S492-Y530 PolarHBondContact O-N 2.98Å; Y493-Y530 VanDerWaalsContact CD1-CB 3.46Å; Y493-Y530 HydrophobicContact CD1-CD2 4.39Å; Y493-Y530 HydrophobicContact CD1-CG 4.12Å; Y493-Y530 VanDerWaalsContact CE1-CB 3.43Å; Y493-Y530 AromaticContact CE1-CD2 3.54Å; Y493-Y530 HydrophobicContact CE1-CD2 3.54Å; Y493-Y530 AromaticContact CE1-CG 3.72Å; Y493-Y530 HydrophobicContact CE1-CG 3.72Å; Y493-Y530 AromaticContact CZ-CD2 3.87Å; Y496-Y530 AromaticContact CD2-CD1 3.73Å; Y496-Y530 HydrophobicContact CD2-CD1 3.73Å; Y496-Y530 AromaticContact CD2-CE1 3.65Å; Y496-Y530 HydrophobicContact CD2-CE1 3.65Å; Y496-Y530 HydrophobicContact CE2-CD1 4.49Å; Y496-Y530 HydrophobicContact CE2-CE1 4.03Å; Y496-Y530 AromaticContact CG-CD1 3.85Å; Y496-Y530 HydrophobicContact CG-CD1 3.85Å; Y496-Y530 HydrophobicContact CG-CE1 4.21Å; F527-Y530 WeakPolarHBondContact O-CD1 3.33Å; F527-Y530 WeakPolarHBondContact O-CE1 3.28Å; Y528-Y530 HydrophobicContact CD1-CE1 4.35Å; Y528-Y530 PolarHBondContact O-N 3.47Å; Y528-Y530 VanDerWaalsContact O-N 3.1Å; Y530-I532 PolarHBondContact O-N 3.27Å; Y530-N533 WeakPolarHBondContact O-CB 3.02Å; Y530-N533 PolarHBondContact O-N 2.92Å
531	F	93.1	Very high	86.9	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-67.2	-23.1	175.8	-76	-65.7	0	0	0	113.2	L48 I51 I90 V94 I95 T98 Y528 M529 N533 S534	L48-F531 HydrophobicContact CD2-CB 4.07Å; L48-F531 HydrophobicContact CD2-CD2 3.43Å; L48-F531 VanDerWaalsContact CD2-CD2 3.43Å; L48-F531 HydrophobicContact CD2-CE2 4.03Å; L48-F531 HydrophobicContact CD2-CG 3.96Å; I51-F531 HydrophobicContact CD1-CB 4.31Å; I51-F531 HydrophobicContact CG2-CB 4.21Å; I51-F531 VanDerWaalsContact CG2-O 3.23Å; I51-F531 WeakPolarHBondContact CG2-O 3.38Å; I90-F531 HydrophobicContact CG2-CD1 3.64Å; I90-F531 HydrophobicContact CG2-CE1 3.75Å; V94-F531 HydrophobicContact CB-CE1 4.38Å; V94-F531 HydrophobicContact CG1-CE1 3.79Å; V94-F531 HydrophobicContact CG1-CZ 3.98Å; I95-F531 HydrophobicContact CD1-CB 4.25Å; I95-F531 HydrophobicContact CD1-CD1 3.83Å; I95-F531 HydrophobicContact CD1-CE1 4.43Å; I95-F531 HydrophobicContact CD1-CG 4.21Å; I95-F531 HydrophobicContact CG1-CD1 3.42Å; I95-F531 VanDerWaalsContact CG1-CD1 3.42Å; I95-F531 HydrophobicContact CG1-CE1 3.53Å; I95-F531 HydrophobicContact CG1-CG 4.01Å; I95-F531 HydrophobicContact CG1-CZ 4.17Å; T98-F531 HydrophobicContact CG2-CE2 4.14Å; T98-F531 HydrophobicContact CG2-CZ 4.36Å; Y528-F531 HydrophobicContact CD1-CD2 4.16Å; Y528-F531 AromaticContact CD1-CE2 3.83Å; Y528-F531 HydrophobicContact CD1-CE2 3.83Å; Y528-F531 PolarHBondContact O-N 3.08Å; Y528-F531 VanDerWaalsContact O-N 3.15Å; M529-F531 PolarHBondContact O-N 3.04Å; F531-N533 PolarHBondContact O-N 3.15Å; F531-N533 VanDerWaalsContact O-N 3.12Å; F531-S534 PolarHBondContact O-N 2.61Å; F531-S534 VanDerWaalsContact O-N 3.13Å
532	I	92.7	Very high	88	Confident	44 Å²	44	32.9 Å²	32.9	23%	0.226	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-55.3	-32	175.5	-66.8	179.5	0	0	0	110.6	F47 I51 M529 Y530 S534 A535 L536	F47-I532 HydrophobicContact CE2-CD1 3.81Å; F47-I532 HydrophobicContact CE2-CG1 3.96Å; F47-I532 HydrophobicContact CZ-CD1 3.6Å; F47-I532 HydrophobicContact CZ-CG1 3.53Å; I51-I532 HydrophobicContact CD1-CB 4.48Å; I51-I532 HydrophobicContact CD1-CG1 3.61Å; I51-I532 HydrophobicContact CG1-CG1 4.33Å; M529-I532 HydrophobicContact CG-CD1 3.78Å; M529-I532 VanDerWaalsContact O-CB 3.24Å; M529-I532 WeakPolarHBondContact O-CB 3.34Å; M529-I532 WeakPolarHBondContact O-CG1 3.34Å; M529-I532 PolarHBondContact O-N 3.16Å; Y530-I532 PolarHBondContact O-N 3.27Å; I532-S534 PolarHBondContact O-N 3.01Å; I532-S534 VanDerWaalsContact O-N 3.17Å; I532-A535 PolarHBondContact O-N 3.44Å; I532-L536 HydrophobicContact CG2-CD1 3.33Å; I532-L536 HydrophobicContact CG2-CD2 4.35Å; I532-L536 HydrophobicContact CG2-CG 3.55Å; I532-L536 PolarHBondContact O-N 3.5Å; I532-L536 VanDerWaalsContact O-N 3.13Å
533	N	92.9	Very high	88.9	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-52.1	-41	179.5	-174.8	66	0	0	0	112.9	N488 F489 S492 Y493 Y530 F531 A535 L536	N488-N533 PolarHBondContact ND2-OD1 2.88Å; F489-N533 VanDerWaalsContact CA-OD1 3.3Å; F489-N533 WeakPolarHBondContact CA-OD1 3.42Å; F489-N533 PolarHBondContact N-OD1 2.77Å; S492-N533 WeakPolarHBondContact OG-CB 3.32Å; Y493-N533 HydrophobicContact CE2-CB 3.96Å; Y530-N533 WeakPolarHBondContact O-CB 3.02Å; Y530-N533 PolarHBondContact O-N 2.92Å; F531-N533 PolarHBondContact O-N 3.15Å; F531-N533 VanDerWaalsContact O-N 3.12Å; N533-A535 PolarHBondContact O-N 3.47Å; N533-L536 PolarHBondContact O-N 3.45Å
534	S	93.7	Very high	89.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-73.2	-15.7	-177.6	-59.9	0	0	0	0	113.4	N59 D87 I90 F531 I532	N59-S534 PolarHBondContact ND2-O 3.4Å; D87-S534 WeakPolarHBondContact OD1-CA 3.4Å; D87-S534 WeakPolarHBondContact OD1-CB 3.16Å; D87-S534 PolarHBondContact OD1-OG 3.23Å; I90-S534 WeakPolarHBondContact CD1-OG 3.42Å; F531-S534 PolarHBondContact O-N 2.61Å; F531-S534 VanDerWaalsContact O-N 3.13Å; I532-S534 PolarHBondContact O-N 3.01Å; I532-S534 VanDerWaalsContact O-N 3.17Å
535	A	94.6	Very high	90.1	Very high	7 Å²	7	31.9 Å²	31.9	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-97	-25.8	175.6	0	0	0	0	0	113.9	I51 I54 I532 N533 P538	I51-A535 HydrophobicContact CG2-CB 3.99Å; I54-A535 HydrophobicContact CB-CB 4.15Å; I54-A535 HydrophobicContact CG2-CB 3.91Å; I532-A535 PolarHBondContact O-N 3.44Å; N533-A535 PolarHBondContact O-N 3.47Å; A535-P538 WeakPolarHBondContact O-CD 3.44Å
536	L	94.8	Very high	90.6	Very high	54 Å²	54	37.5 Å²	37.5	28%	0.283	19%	0.191	S	C	.	.	H	α-helix	trans	-81.8	-26.6	-173.5	-72.1	-177.8	0	0	0	114.4	N488 I532 N533 I539 I540	N488-L536 WeakPolarHBondContact OD1-CD1 3.38Å; I532-L536 HydrophobicContact CG2-CD1 3.33Å; I532-L536 HydrophobicContact CG2-CD2 4.35Å; I532-L536 HydrophobicContact CG2-CG 3.55Å; I532-L536 PolarHBondContact O-N 3.5Å; I532-L536 VanDerWaalsContact O-N 3.13Å; N533-L536 PolarHBondContact O-N 3.45Å; L536-I539 HydrophobicContact CD2-CD1 3.93Å; L536-I539 WeakPolarHBondContact O-CA 3.25Å; L536-I539 WeakPolarHBondContact O-CB 3.43Å; L536-I539 PolarHBondContact O-N 3.44Å; L536-I540 PolarHBondContact O-N 3Å
537	N	92.9	Very high	91	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-47.8	-177.1	-66.3	-19.4	0	0	0	113.5	D87 I539 I540 Y541	D87-N537 PolarHBondContact OD2-ND2 2.85Å; N537-I539 VanDerWaalsContact C-N 3.26Å; N537-I539 PolarHBondContact O-N 3.26Å; N537-I540 PolarHBondContact O-N 2.92Å; N537-Y541 HydrophobicContact CB-CE2 4.07Å; N537-Y541 WeakPolarHBondContact O-CD2 3.05Å; N537-Y541 PolarHBondContact O-N 2.03Å
538	P	93.6	Very high	91.3	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-32.9	174.2	-25.4	36	0	0	0	114.2	G58 V62 A535 S542	G58-P538 VanDerWaalsContact CA-CG 3.49Å; V62-P538 HydrophobicContact CG2-CB 4.17Å; V62-P538 HydrophobicContact CG2-CG 4.15Å; A535-P538 WeakPolarHBondContact O-CD 3.44Å; P538-S542 WeakPolarHBondContact O-CB 3.4Å; P538-S542 PolarHBondContact O-N 3.04Å; P538-S542 PolarHBondContact O-OG 3.37Å
539	I	93.5	Very high	91.5	Very high	85 Å²	85	39.7 Å²	39.7	44%	0.436	20%	0.195	S	C	.	.	H	α-helix	trans	-68.6	-46.7	177.3	-56.6	-178.8	0	0	0	109.5	L536 N537 Y541 S542 C543	L536-I539 HydrophobicContact CD2-CD1 3.93Å; L536-I539 WeakPolarHBondContact O-CA 3.25Å; L536-I539 WeakPolarHBondContact O-CB 3.43Å; L536-I539 PolarHBondContact O-N 3.44Å; N537-I539 VanDerWaalsContact C-N 3.26Å; N537-I539 PolarHBondContact O-N 3.26Å; I539-Y541 VanDerWaalsContact C-N 3.33Å; I539-Y541 PolarHBondContact O-N 2.82Å; I539-S542 WeakPolarHBondContact O-CB 3.3Å; I539-S542 PolarHBondContact O-N 3.32Å; I539-S542 VanDerWaalsContact O-N 3.07Å; I539-C543 PolarHBondContact O-N 2.84Å; I539-C543 PolarHBondContact O-SG 3.26Å; I539-C543 VanDerWaalsContact O-SG 3.41Å
540	I	94.5	Very high	91.7	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.138	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-46.3	176.6	-62.4	169.3	0	0	0	110.5	T481 L484 V485 N488 L536 N537 S542 C543 M544	T481-I540 HydrophobicContact CG2-CG2 4.03Å; L484-I540 HydrophobicContact CB-CG2 4.24Å; V485-I540 HydrophobicContact CG2-CB 4.32Å; V485-I540 HydrophobicContact CG2-CD1 4.1Å; V485-I540 HydrophobicContact CG2-CG2 3.91Å; N488-I540 HydrophobicContact CB-CD1 4.04Å; L536-I540 PolarHBondContact O-N 3Å; N537-I540 PolarHBondContact O-N 2.92Å; I540-S542 VanDerWaalsContact C-N 3.32Å; I540-S542 PolarHBondContact O-N 2.98Å; I540-C543 PolarHBondContact O-N 2.98Å; I540-M544 HydrophobicContact CG2-SD 4.32Å; I540-M544 PolarHBondContact O-N 3.24Å
541	Y	93.5	Very high	91.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-38.1	175.6	-62.9	-48.1	0	0	0	112.4	V62 I80 T481 L482 V485 N537 I539 C543 N545 F548	V62-Y541 HydrophobicContact CG1-CD2 4.32Å; V62-Y541 HydrophobicContact CG1-CE2 4.25Å; V62-Y541 HydrophobicContact CG2-CD2 3.8Å; V62-Y541 HydrophobicContact CG2-CE2 4.35Å; I80-Y541 HydrophobicContact CD1-CE1 4.47Å; I80-Y541 HydrophobicContact CG1-CE1 4.4Å; I80-Y541 HydrophobicContact CG2-CE1 4.36Å; I80-Y541 HydrophobicContact CG2-CE2 4.09Å; T481-Y541 HydrophobicContact CG2-CD1 3.87Å; T481-Y541 HydrophobicContact CG2-CE1 4.2Å; L482-Y541 HydrophobicContact CD2-CE1 4.32Å; V485-Y541 HydrophobicContact CG2-CE1 4.18Å; N537-Y541 HydrophobicContact CB-CE2 4.07Å; N537-Y541 WeakPolarHBondContact O-CD2 3.05Å; N537-Y541 PolarHBondContact O-N 2.03Å; I539-Y541 VanDerWaalsContact C-N 3.33Å; I539-Y541 PolarHBondContact O-N 2.82Å; Y541-C543 VanDerWaalsContact C-N 3.31Å; Y541-C543 PolarHBondContact O-N 3.01Å; Y541-N545 HydrophobicContact CD1-CB 4.33Å; Y541-N545 WeakPolarHBondContact O-CA 3.19Å; Y541-N545 VanDerWaalsContact O-CB 3.23Å; Y541-N545 WeakPolarHBondContact O-CB 3.39Å; Y541-N545 PolarHBondContact O-N 3.36Å; Y541-F548 VanDerWaalsContact C-CD1 3.47Å; Y541-F548 VanDerWaalsContact CB-CD1 3.47Å
542	S	91.6	Very high	91.6	Very high	42 Å²	42	44.6 Å²	44.6	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-64.1	-36	177.9	-62.5	0	0	0	0	112.2	P538 I539 I540 F548 R549	P538-S542 WeakPolarHBondContact O-CB 3.4Å; P538-S542 PolarHBondContact O-N 3.04Å; P538-S542 PolarHBondContact O-OG 3.37Å; I539-S542 WeakPolarHBondContact O-CB 3.3Å; I539-S542 PolarHBondContact O-N 3.32Å; I539-S542 VanDerWaalsContact O-N 3.07Å; I540-S542 VanDerWaalsContact C-N 3.32Å; I540-S542 PolarHBondContact O-N 2.98Å; S542-F548 WeakPolarHBondContact OG-CE1 3.25Å; S542-R549 WeakPolarHBondContact O-CD 3.3Å; S542-R549 WeakPolarHBondContact O-CG 3.34Å
543	C	90.6	Very high	91.6	Very high	86 Å²	86	47.4 Å²	47.4	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-78	-43.8	178.7	-64.9	0	0	0	0	111.8	I539 I540 Y541	I539-C543 PolarHBondContact O-N 2.84Å; I539-C543 PolarHBondContact O-SG 3.26Å; I539-C543 VanDerWaalsContact O-SG 3.41Å; I540-C543 PolarHBondContact O-N 2.98Å; Y541-C543 VanDerWaalsContact C-N 3.31Å; Y541-C543 PolarHBondContact O-N 3.01Å
544	M	89.2	Confident	91.5	Very high	68 Å²	68	53.9 Å²	53.9	34%	0.335	27%	0.266	S	S	.	.	H	α-helix	trans	-109	-30.7	-163.7	-59.1	-172	73.7	0	0	114.6	Q480 T481 L484 I540 R546	Q480-M544 HydrophobicContact CB-CE 4.39Å; T481-M544 HydrophobicContact CG2-CB 3.89Å; T481-M544 WeakPolarHBondContact OG1-CB 3.48Å; L484-M544 HydrophobicContact CD1-CE 3.51Å; L484-M544 HydrophobicContact CD1-SD 3.11Å; L484-M544 WeakPolarHBondContact CD1-SD 3.36Å; L484-M544 HydrophobicContact CG-SD 4.4Å; I540-M544 HydrophobicContact CG2-SD 4.32Å; I540-M544 PolarHBondContact O-N 3.24Å; M544-R546 PolarHBondContact O-N 3.47Å
545	N	88.3	Confident	91.3	Very high	16 Å²	16	57.4 Å²	57.4	9%	0.086	28%	0.281	C	S	.	.			trans	-87	106.8	-174.8	-167	-48.4	0	0	0	111	Y541 H547 F548 R549	Y541-N545 HydrophobicContact CD1-CB 4.33Å; Y541-N545 WeakPolarHBondContact O-CA 3.19Å; Y541-N545 VanDerWaalsContact O-CB 3.23Å; Y541-N545 WeakPolarHBondContact O-CB 3.39Å; Y541-N545 PolarHBondContact O-N 3.36Å; N545-H547 VanDerWaalsContact C-N 3.31Å; N545-H547 PolarHBondContact O-N 3.07Å; N545-H547 WeakPolarHBondContact OD1-CB 3.31Å; N545-H547 PolarHBondContact OD1-N 3.46Å; N545-F548 HydrophobicContact CB-CB 3.89Å; N545-F548 PolarHBondContact O-N 3.48Å; N545-F548 PolarHBondContact OD1-N 3.2Å; N545-F548 VanDerWaalsContact OD1-N 3.13Å; N545-R549 WeakPolarHBondContact O-CG 3.29Å; N545-R549 PolarHBondContact O-N 3.41Å
546	R	87.2	Confident	91.1	Very high	161 Å²	161	64.1 Å²	64.1	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-41	179.9	-175.3	179.7	179.2	-176.6	1	112.7	M544 L550	M544-R546 PolarHBondContact O-N 3.47Å; R546-L550 HydrophobicContact CG-CD1 4.28Å; R546-L550 VanDerWaalsContact O-CG 3.32Å; R546-L550 WeakPolarHBondContact O-CG 3.31Å; R546-L550 PolarHBondContact O-N 3.45Å; R546-L550 VanDerWaalsContact O-N 3.1Å
547	H	87.3	Confident	91	Very high	64 Å²	64	64.8 Å²	64.8	30%	0.296	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-47.3	-179.8	176	-91.6	0	0	0	110.8	A65 Q69 N545 R549 L550 C551	A65-H547 PolarHBondContact O-CE1 3.05Å; Q69-H547 PolarHBondContact NE2-CD2 3.06Å; Q69-H547 PolarHBondContact NE2-CE1 2.86Å; Q69-H547 PolarHBondContact NE2-ND1 3.29Å; Q69-H547 PolarHBondContact NE2-NE2 2.96Å; Q69-H547 VanDerWaalsContact NE2-NE2 3.18Å; N545-H547 VanDerWaalsContact C-N 3.31Å; N545-H547 PolarHBondContact O-N 3.07Å; N545-H547 WeakPolarHBondContact OD1-CB 3.31Å; N545-H547 PolarHBondContact OD1-N 3.46Å; H547-R549 PolarHBondContact O-N 3.44Å; H547-L550 PolarHBondContact O-N 3.29Å; H547-C551 PolarHBondContact O-N 3.37Å
548	F	89.4	Confident	90.9	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-45.6	178.5	-172.9	-117	0	0	0	112.2	L61 V62 A65 F66 Y541 S542 N545 L550 C551 I552	L61-F548 HydrophobicContact CB-CZ 4.4Å; V62-F548 HydrophobicContact CB-CE2 4.26Å; V62-F548 HydrophobicContact CG2-CE1 4.39Å; V62-F548 HydrophobicContact CG2-CE2 3.72Å; V62-F548 HydrophobicContact CG2-CZ 3.61Å; A65-F548 HydrophobicContact CB-CD2 3.59Å; A65-F548 HydrophobicContact CB-CE2 3.84Å; F66-F548 HydrophobicContact CD2-CD2 4.4Å; F66-F548 HydrophobicContact CE2-CB 4.06Å; F66-F548 AromaticContact CE2-CD2 3.8Å; F66-F548 HydrophobicContact CE2-CD2 3.8Å; F66-F548 HydrophobicContact CE2-CG 4.23Å; F66-F548 HydrophobicContact CZ-CB 4.27Å; Y541-F548 VanDerWaalsContact C-CD1 3.47Å; Y541-F548 VanDerWaalsContact CB-CD1 3.47Å; S542-F548 WeakPolarHBondContact OG-CE1 3.25Å; N545-F548 HydrophobicContact CB-CB 3.89Å; N545-F548 PolarHBondContact O-N 3.48Å; N545-F548 PolarHBondContact OD1-N 3.2Å; N545-F548 VanDerWaalsContact OD1-N 3.13Å; F548-L550 VanDerWaalsContact C-N 3.33Å; F548-L550 PolarHBondContact O-N 3.39Å; F548-C551 WeakPolarHBondContact O-CB 3.37Å; F548-C551 PolarHBondContact O-N 3.17Å; F548-C551 VanDerWaalsContact O-N 3.09Å; F548-I552 HydrophobicContact CD1-CD1 3.63Å; F548-I552 HydrophobicContact CD1-CG1 4.44Å; F548-I552 HydrophobicContact CE1-CD1 3.21Å; F548-I552 HydrophobicContact CE1-CG1 4.18Å; F548-I552 HydrophobicContact CE2-CD1 4.18Å; F548-I552 HydrophobicContact CE2-CG1 4.32Å; F548-I552 HydrophobicContact CG-CD1 4.34Å; F548-I552 HydrophobicContact CZ-CD1 3.52Å; F548-I552 HydrophobicContact CZ-CG1 4.1Å; F548-I552 PolarHBondContact O-N 3.34Å
549	R	91.8	Very high	90.7	Very high	113 Å²	113	71.7 Å²	71.7	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-54.5	-46.2	173.6	-76.8	-170.6	-71.4	179.2	-2.7	112.9	S542 N545 H547 C551 I552 I553	S542-R549 WeakPolarHBondContact O-CD 3.3Å; S542-R549 WeakPolarHBondContact O-CG 3.34Å; N545-R549 WeakPolarHBondContact O-CG 3.29Å; N545-R549 PolarHBondContact O-N 3.41Å; H547-R549 PolarHBondContact O-N 3.44Å; R549-C551 VanDerWaalsContact C-N 3.32Å; R549-C551 PolarHBondContact O-N 2.84Å; R549-I552 PolarHBondContact O-N 3.42Å; R549-I553 VanDerWaalsContact O-CG1 3.26Å; R549-I553 WeakPolarHBondContact O-CG1 3.03Å; R549-I553 PolarHBondContact O-N 2.96Å
550	L	91.3	Very high	90.6	Very high	85 Å²	85	74.1 Å²	74.1	45%	0.445	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-38.9	177.8	-70.9	171.8	0	0	0	111.8	R546 H547 F548 K554	R546-L550 HydrophobicContact CG-CD1 4.28Å; R546-L550 VanDerWaalsContact O-CG 3.32Å; R546-L550 WeakPolarHBondContact O-CG 3.31Å; R546-L550 PolarHBondContact O-N 3.45Å; R546-L550 VanDerWaalsContact O-N 3.1Å; H547-L550 PolarHBondContact O-N 3.29Å; F548-L550 VanDerWaalsContact C-N 3.33Å; F548-L550 PolarHBondContact O-N 3.39Å; L550-K554 WeakPolarHBondContact O-CB 3.31Å; L550-K554 VanDerWaalsContact O-CG 3.3Å; L550-K554 WeakPolarHBondContact O-CG 3.5Å; L550-K554 PolarHBondContact O-N 3.22Å
551	C	91.1	Very high	90.4	Very high	21 Å²	21	77.4 Å²	77.4	14%	0.142	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-43.5	174.8	-71.1	0	0	0	0	112	W64 A65 H547 F548 R549 K554 F555	W64-C551 HydrophobicContact CH2-CB 4.49Å; W64-C551 HydrophobicContact CZ3-CB 4Å; A65-C551 HydrophobicContact CB-CB 3.8Å; H547-C551 PolarHBondContact O-N 3.37Å; F548-C551 WeakPolarHBondContact O-CB 3.37Å; F548-C551 PolarHBondContact O-N 3.17Å; F548-C551 VanDerWaalsContact O-N 3.09Å; R549-C551 VanDerWaalsContact C-N 3.32Å; R549-C551 PolarHBondContact O-N 2.84Å; C551-K554 PolarHBondContact O-N 2.8Å; C551-F555 WeakPolarHBondContact O-CB 3.44Å; C551-F555 PolarHBondContact O-N 3.11Å
552	I	90.3	Very high	90.2	Very high	51 Å²	51	84 Å²	84	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-46.3	175.8	-71	173.4	0	0	0	111.1	F548 R549 K554 F555 Y556	F548-I552 HydrophobicContact CD1-CD1 3.63Å; F548-I552 HydrophobicContact CD1-CG1 4.44Å; F548-I552 HydrophobicContact CE1-CD1 3.21Å; F548-I552 HydrophobicContact CE1-CG1 4.18Å; F548-I552 HydrophobicContact CE2-CD1 4.18Å; F548-I552 HydrophobicContact CE2-CG1 4.32Å; F548-I552 HydrophobicContact CG-CD1 4.34Å; F548-I552 HydrophobicContact CZ-CD1 3.52Å; F548-I552 HydrophobicContact CZ-CG1 4.1Å; F548-I552 PolarHBondContact O-N 3.34Å; R549-I552 PolarHBondContact O-N 3.42Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 3.16Å; I552-F555 WeakPolarHBondContact O-CB 3.4Å; I552-F555 PolarHBondContact O-N 3.29Å; I552-Y556 WeakPolarHBondContact O-CB 3.25Å; I552-Y556 PolarHBondContact O-N 2.86Å
553	I	91.1	Very high	89.9	Confident	103 Å²	103	88.3 Å²	88.3	53%	0.528	41%	0.414	S	S	.	.	H	α-helix	trans	-60.5	-43.2	179.1	-68.9	165.5	0	0	0	110.4	R549 T557	R549-I553 VanDerWaalsContact O-CG1 3.26Å; R549-I553 WeakPolarHBondContact O-CG1 3.03Å; R549-I553 PolarHBondContact O-N 2.96Å; I553-T557 VanDerWaalsContact O-CB 3.3Å; I553-T557 WeakPolarHBondContact O-CB 2.84Å; I553-T557 PolarHBondContact O-N 2.96Å; I553-T557 PolarHBondContact O-OG1 3.27Å
554	K	91.4	Very high	89.7	Confident	137 Å²	137	90.9 Å²	90.9	60%	0.596	42%	0.416	S	S	*	.	H	α-helix	trans	-61.6	-48.7	174.3	-75.2	177	-179.1	-178.8	0	111.5	L550 C551 I552 Y556 T557 D558	L550-K554 WeakPolarHBondContact O-CB 3.31Å; L550-K554 VanDerWaalsContact O-CG 3.3Å; L550-K554 WeakPolarHBondContact O-CG 3.5Å; L550-K554 PolarHBondContact O-N 3.22Å; C551-K554 PolarHBondContact O-N 2.8Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 3.16Å; K554-Y556 PolarHBondContact O-N 3.46Å; K554-T557 PolarHBondContact O-N 3.2Å; K554-T557 VanDerWaalsContact O-N 3.17Å; K554-D558 WeakPolarHBondContact O-CB 3.03Å; K554-D558 VanDerWaalsContact O-CG 3.25Å; K554-D558 PolarHBondContact O-N 2.88Å
555	F	90.4	Very high	89.4	Confident	73 Å²	73	95.9 Å²	95.9	32%	0.32	43%	0.431	S	S	.	.	H	α-helix	trans	-54.4	-50.7	177.5	-177.6	-108.1	0	0	0	112.3	L61 W64 C551 I552 T557 D558 L559	L61-F555 HydrophobicContact CD2-CD1 4.08Å; L61-F555 HydrophobicContact CD2-CE1 3.82Å; L61-F555 HydrophobicContact CD2-CZ 4.1Å; W64-F555 HydrophobicContact CE3-CD2 4.44Å; W64-F555 HydrophobicContact CH2-CB 3.56Å; W64-F555 AromaticContact CH2-CD2 3.86Å; W64-F555 HydrophobicContact CH2-CD2 3.86Å; W64-F555 HydrophobicContact CH2-CG 4.11Å; W64-F555 HydrophobicContact CZ2-CB 4.46Å; W64-F555 AromaticContact CZ2-CD2 4Å; W64-F555 HydrophobicContact CZ2-CD2 4Å; W64-F555 HydrophobicContact CZ3-CB 3.68Å; W64-F555 HydrophobicContact CZ3-CD2 4.08Å; W64-F555 HydrophobicContact CZ3-CG 4.12Å; C551-F555 WeakPolarHBondContact O-CB 3.44Å; C551-F555 PolarHBondContact O-N 3.11Å; I552-F555 WeakPolarHBondContact O-CB 3.4Å; I552-F555 PolarHBondContact O-N 3.29Å; F555-T557 PolarHBondContact O-N 2.93Å; F555-D558 PolarHBondContact O-N 3.48Å; F555-L559 HydrophobicContact CD1-CD1 3.72Å; F555-L559 HydrophobicContact CE1-CD1 3.24Å; F555-L559 HydrophobicContact CE1-CG 4.23Å; F555-L559 HydrophobicContact CE2-CD1 4.25Å; F555-L559 HydrophobicContact CE2-CG 4.46Å; F555-L559 HydrophobicContact CG-CD1 4.4Å; F555-L559 HydrophobicContact CZ-CD1 3.54Å; F555-L559 HydrophobicContact CZ-CG 4.2Å; F555-L559 WeakPolarHBondContact O-CB 3.39Å; F555-L559 WeakPolarHBondContact O-CG 3.23Å; F555-L559 PolarHBondContact O-N 3.38Å
556	Y	90.2	Very high	88.9	Confident	149 Å²	149	100.8 Å²	100.8	58%	0.584	45%	0.453	S	S	*	.	H	α-helix	trans	-65.3	-39	178.7	-176.8	-95.6	0	0	0	112	I552 K554 L559 K560	I552-Y556 WeakPolarHBondContact O-CB 3.25Å; I552-Y556 PolarHBondContact O-N 2.86Å; K554-Y556 PolarHBondContact O-N 3.46Å; Y556-L559 PolarHBondContact O-N 3.11Å; Y556-K560 HydrophobicContact CE1-CD 4.32Å; Y556-K560 VanDerWaalsContact O-CB 3.24Å; Y556-K560 WeakPolarHBondContact O-CB 3.28Å; Y556-K560 PolarHBondContact O-N 2.89Å
557	T	92.4	Very high	88.3	Confident	67 Å²	67	96.9 Å²	96.9	41%	0.411	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175.8	-56.7	0	0	0	0	111.1	I553 K554 F555 K560 M561	I553-T557 VanDerWaalsContact O-CB 3.3Å; I553-T557 WeakPolarHBondContact O-CB 2.84Å; I553-T557 PolarHBondContact O-N 2.96Å; I553-T557 PolarHBondContact O-OG1 3.27Å; K554-T557 PolarHBondContact O-N 3.2Å; K554-T557 VanDerWaalsContact O-N 3.17Å; F555-T557 PolarHBondContact O-N 2.93Å; T557-K560 PolarHBondContact O-N 3.4Å; T557-M561 WeakPolarHBondContact O-CB 3.47Å; T557-M561 VanDerWaalsContact O-CG 3.23Å; T557-M561 WeakPolarHBondContact O-CG 3.46Å; T557-M561 PolarHBondContact O-N 2.97Å
558	D	90.4	Very high	87.7	Confident	92 Å²	92	96.8 Å²	96.8	49%	0.492	45%	0.454	S	S	.	.	H	α-helix	trans	-66.5	-42.3	178.6	-69	-20.2	0	0	0	111.4	K554 F555 M561 K562	K554-D558 WeakPolarHBondContact O-CB 3.03Å; K554-D558 VanDerWaalsContact O-CG 3.25Å; K554-D558 PolarHBondContact O-N 2.88Å; F555-D558 PolarHBondContact O-N 3.48Å; D558-M561 PolarHBondContact O-N 3.25Å; D558-K562 WeakPolarHBondContact O-CG 3.1Å; D558-K562 PolarHBondContact O-N 2.98Å
559	L	90.2	Very high	86.7	Confident	62 Å²	62	104.2 Å²	104.2	33%	0.325	49%	0.486	S	S	.	.	H	α-helix	trans	-59.8	-48.8	172.6	-79.1	176.6	0	0	0	111.5	F555 Y556 M561 K562 F563	F555-L559 HydrophobicContact CD1-CD1 3.72Å; F555-L559 HydrophobicContact CE1-CD1 3.24Å; F555-L559 HydrophobicContact CE1-CG 4.23Å; F555-L559 HydrophobicContact CE2-CD1 4.25Å; F555-L559 HydrophobicContact CE2-CG 4.46Å; F555-L559 HydrophobicContact CG-CD1 4.4Å; F555-L559 HydrophobicContact CZ-CD1 3.54Å; F555-L559 HydrophobicContact CZ-CG 4.2Å; F555-L559 WeakPolarHBondContact O-CB 3.39Å; F555-L559 WeakPolarHBondContact O-CG 3.23Å; F555-L559 PolarHBondContact O-N 3.38Å; Y556-L559 PolarHBondContact O-N 3.11Å; L559-M561 VanDerWaalsContact C-N 3.28Å; L559-M561 PolarHBondContact O-N 2.89Å; L559-K562 PolarHBondContact O-N 3.41Å; L559-K562 VanDerWaalsContact O-N 3.12Å; L559-F563 WeakPolarHBondContact O-CD2 3.46Å; L559-F563 PolarHBondContact O-N 3.37Å
560	K	91	Very high	85.7	Confident	136 Å²	136	102.5 Å²	102.5	59%	0.591	49%	0.488	S	S	*	.	H	α-helix	trans	-58.8	-39.9	177.5	-176	173.3	-176.4	169.5	0	111.9	Y556 T557 K564	Y556-K560 HydrophobicContact CE1-CD 4.32Å; Y556-K560 VanDerWaalsContact O-CB 3.24Å; Y556-K560 WeakPolarHBondContact O-CB 3.28Å; Y556-K560 PolarHBondContact O-N 2.89Å; T557-K560 PolarHBondContact O-N 3.4Å; K560-K564 WeakPolarHBondContact O-CB 3.37Å; K560-K564 PolarHBondContact O-N 2.68Å
561	M	89.5	Confident	84.3	Confident	97 Å²	97	103.4 Å²	103.4	48%	0.478	49%	0.493	S	S	.	.	H	α-helix	trans	-69.1	-37.5	175.9	-70.2	-63.5	-71	0	0	112.4	T557 D558 L559 R565	T557-M561 WeakPolarHBondContact O-CB 3.47Å; T557-M561 VanDerWaalsContact O-CG 3.23Å; T557-M561 WeakPolarHBondContact O-CG 3.46Å; T557-M561 PolarHBondContact O-N 2.97Å; D558-M561 PolarHBondContact O-N 3.25Å; L559-M561 VanDerWaalsContact C-N 3.28Å; L559-M561 PolarHBondContact O-N 2.89Å; M561-R565 WeakPolarHBondContact O-CG 3.27Å; M561-R565 PolarHBondContact O-N 3.19Å; M561-R565 VanDerWaalsContact O-N 3.1Å
562	K	88.7	Confident	82.9	Confident	139 Å²	139	107.7 Å²	107.7	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-65.3	-48.1	174.3	-76.8	-179.5	179.3	-175.3	0	112.2	D558 L559 K564 R565 Q566	D558-K562 WeakPolarHBondContact O-CG 3.1Å; D558-K562 PolarHBondContact O-N 2.98Å; L559-K562 PolarHBondContact O-N 3.41Å; L559-K562 VanDerWaalsContact O-N 3.12Å; K562-K564 VanDerWaalsContact C-N 3.33Å; K562-K564 PolarHBondContact O-N 2.98Å; K562-R565 PolarHBondContact O-N 3.48Å; K562-R565 VanDerWaalsContact O-N 3.15Å; K562-Q566 PolarHBondContact O-N 3.38Å
563	F	86.9	Confident	81.4	Confident	134 Å²	134	108.9 Å²	108.9	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-59.4	-43.8	176.2	-89.7	-75.6	0	0	0	111.5	L559 R565 Q566 T567	L559-F563 WeakPolarHBondContact O-CD2 3.46Å; L559-F563 PolarHBondContact O-N 3.37Å; F563-R565 VanDerWaalsContact C-N 3.31Å; F563-R565 PolarHBondContact O-N 3.3Å; F563-Q566 PolarHBondContact O-N 2.92Å; F563-T567 PolarHBondContact O-N 2.77Å; F563-T567 PolarHBondContact O-OG1 3.32Å
564	K	86.2	Confident	79.6	Confident	140 Å²	140	110 Å²	110	61%	0.609	53%	0.527	S	S	*	.	H	α-helix	trans	-61.5	-37	176	-168.9	177.3	-179.1	-176.8	0	113	K560 K562 T567 S568	K560-K564 WeakPolarHBondContact O-CB 3.37Å; K560-K564 PolarHBondContact O-N 2.68Å; K562-K564 VanDerWaalsContact C-N 3.33Å; K562-K564 PolarHBondContact O-N 2.98Å; K564-T567 WeakPolarHBondContact CA-OG1 3.33Å; K564-T567 PolarHBondContact O-OG1 3.4Å; K564-S568 PolarHBondContact O-N 3.04Å; K564-S568 VanDerWaalsContact O-N 3.11Å; K564-S568 PolarHBondContact O-OG 2.83Å
565	R	81.5	Confident	77.9	Confident	173 Å²	173	110.6 Å²	110.6	65%	0.653	53%	0.532	S	S	*	.	H	α-helix	trans	-68.5	-37.7	175.4	-74.5	174.2	-179	177	0.8	112	M561 K562 F563 K569	M561-R565 WeakPolarHBondContact O-CG 3.27Å; M561-R565 PolarHBondContact O-N 3.19Å; M561-R565 VanDerWaalsContact O-N 3.1Å; K562-R565 PolarHBondContact O-N 3.48Å; K562-R565 VanDerWaalsContact O-N 3.15Å; F563-R565 VanDerWaalsContact C-N 3.31Å; F563-R565 PolarHBondContact O-N 3.3Å; R565-K569 PolarHBondContact O-N 3.01Å
566	Q	78	Confident	76.1	Confident	118 Å²	118	114 Å²	114	55%	0.551	55%	0.549	S	S	*	.	H	α-helix	trans	-66.2	-46.1	175.8	-78.3	176.7	-26.2	0	0	111.6	K562 F563 S568 K569 V570	K562-Q566 PolarHBondContact O-N 3.38Å; F563-Q566 PolarHBondContact O-N 2.92Å; Q566-S568 VanDerWaalsContact C-N 3.32Å; Q566-S568 PolarHBondContact O-N 3.32Å; Q566-K569 PolarHBondContact O-N 3.39Å; Q566-K569 VanDerWaalsContact O-N 3.13Å; Q566-V570 WeakPolarHBondContact O-CG2 3.4Å; Q566-V570 PolarHBondContact O-N 3.49Å
567	T	76.4	Confident	74.3	Confident	80 Å²	80	113 Å²	113	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-61.9	-37.8	176.3	52.3	0	0	0	0	112.4	F563 K564 N571	F563-T567 PolarHBondContact O-N 2.77Å; F563-T567 PolarHBondContact O-OG1 3.32Å; K564-T567 WeakPolarHBondContact CA-OG1 3.33Å; K564-T567 PolarHBondContact O-OG1 3.4Å; T567-N571 PolarHBondContact O-N 3.47Å; T567-N571 VanDerWaalsContact O-N 3.13Å; T567-N571 PolarHBondContact O-OD1 3.37Å
568	S	72.9	Confident	72.6	Confident	62 Å²	62	115.7 Å²	115.7	43%	0.434	57%	0.569	S	S	.	*	H	α-helix	trans	-68	-33.6	174.5	-72.1	0	0	0	0	113.3	K564 Q566 N572	K564-S568 PolarHBondContact O-N 3.04Å; K564-S568 VanDerWaalsContact O-N 3.11Å; K564-S568 PolarHBondContact O-OG 2.83Å; Q566-S568 VanDerWaalsContact C-N 3.32Å; Q566-S568 PolarHBondContact O-N 3.32Å; S568-N572 PolarHBondContact O-N 2.77Å; S568-N572 VanDerWaalsContact O-N 3.16Å
569	K	69.8	Low	70.7	Confident	157 Å²	157	115.2 Å²	115.2	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-67.6	-43.8	174.7	-79.4	-173.3	175.8	-167.6	0	112	R565 Q566 N571 N572 T573	R565-K569 PolarHBondContact O-N 3.01Å; Q566-K569 PolarHBondContact O-N 3.39Å; Q566-K569 VanDerWaalsContact O-N 3.13Å; K569-N571 VanDerWaalsContact C-N 3.33Å; K569-N571 PolarHBondContact O-N 2.91Å; K569-N572 PolarHBondContact O-N 3.28Å; K569-T573 PolarHBondContact O-N 3.09Å; K569-T573 PolarHBondContact O-OG1 3.39Å; K569-T573 VanDerWaalsContact O-OG1 3.04Å
570	V	70.4	Confident	68.7	Low	76 Å²	76	118.6 Å²	118.6	46%	0.461	59%	0.59	S	S	.	*	H	α-helix	trans	-61.6	-42.3	178.1	175.2	0	0	0	0	111.1	Q566 N572 T573 H574	Q566-V570 WeakPolarHBondContact O-CG2 3.4Å; Q566-V570 PolarHBondContact O-N 3.49Å; V570-N572 PolarHBondContact O-N 3.39Å; V570-T573 WeakPolarHBondContact CA-OG1 3.1Å; V570-T573 PolarHBondContact O-N 3.43Å; V570-T573 PolarHBondContact O-OG1 2.96Å; V570-H574 PolarHBondContact O-CD2 2.87Å; V570-H574 PolarHBondContact O-N 3.14Å; V570-H574 VanDerWaalsContact O-N 3.07Å
571	N	62.1	Low	66.8	Low	104 Å²	104	117.5 Å²	117.5	56%	0.556	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-34.8	177.2	-71.9	9.1	0	0	0	112.9	T567 K569 H575	T567-N571 PolarHBondContact O-N 3.47Å; T567-N571 VanDerWaalsContact O-N 3.13Å; T567-N571 PolarHBondContact O-OD1 3.37Å; K569-N571 VanDerWaalsContact C-N 3.33Å; K569-N571 PolarHBondContact O-N 2.91Å; N571-H575 PolarHBondContact O-N 3.38Å
572	N	60.4	Low	65	Low	112 Å²	112	121 Å²	121	60%	0.599	62%	0.617	S	S	*	*	H	α-helix	trans	-70.4	-39.1	175.5	-76.7	4.7	0	0	0	112	S568 K569 V570 H574 H575 E576	S568-N572 PolarHBondContact O-N 2.77Å; S568-N572 VanDerWaalsContact O-N 3.16Å; K569-N572 PolarHBondContact O-N 3.28Å; V570-N572 PolarHBondContact O-N 3.39Å; N572-H574 VanDerWaalsContact C-N 3.33Å; N572-H574 PolarHBondContact O-N 2.86Å; N572-H575 PolarHBondContact O-N 2.85Å; N572-E576 PolarHBondContact O-N 3.28Å
573	T	59.1	Low	62.9	Low	75 Å²	75	120 Å²	120	46%	0.46	63%	0.628	S	S	.	*	H	α-helix	trans	-66.4	-32.5	175.4	40.3	0	0	0	0	113	K569 V570 E576 L577	K569-T573 PolarHBondContact O-N 3.09Å; K569-T573 PolarHBondContact O-OG1 3.39Å; K569-T573 VanDerWaalsContact O-OG1 3.04Å; V570-T573 WeakPolarHBondContact CA-OG1 3.1Å; V570-T573 PolarHBondContact O-N 3.43Å; V570-T573 PolarHBondContact O-OG1 2.96Å; T573-E576 PolarHBondContact O-N 2.81Å; T573-L577 PolarHBondContact O-N 3.04Å
574	H	54.5	Low	61.2	Low	126 Å²	126	122.3 Å²	122.3	58%	0.583	64%	0.64	S	S	*	*	H	α-helix	trans	-69.8	-34	172.4	-89.1	-78.5	0	0	0	112.6	V570 N572 V578	V570-H574 PolarHBondContact O-CD2 2.87Å; V570-H574 PolarHBondContact O-N 3.14Å; V570-H574 VanDerWaalsContact O-N 3.07Å; N572-H574 VanDerWaalsContact C-N 3.33Å; N572-H574 PolarHBondContact O-N 2.86Å; H574-V578 VanDerWaalsContact O-CG2 3.3Å; H574-V578 WeakPolarHBondContact O-CG2 3.34Å; H574-V578 PolarHBondContact O-N 3.39Å
575	H	55.4	Low	59.5	Low	150 Å²	150	124.7 Å²	124.7	69%	0.694	65%	0.65	S	S	*	*	H	α-helix	trans	-68.6	-36.8	174.2	-109.6	-74.1	0	0	0	112.3	N571 N572 V578 S579	N571-H575 PolarHBondContact O-N 3.38Å; N572-H575 PolarHBondContact O-N 2.85Å; H575-V578 PolarHBondContact O-N 3.48Å; H575-S579 PolarHBondContact O-N 3.3Å; H575-S579 PolarHBondContact O-OG 3.08Å
576	E	52.4	Low	58.1	Low	144 Å²	144	122.6 Å²	122.6	67%	0.673	66%	0.659	S	S	*	*	H	α-helix	trans	-71.3	-34.2	-178.2	-143.4	172.3	152.2	0	0	112.8	N572 T573 S579	N572-E576 PolarHBondContact O-N 3.28Å; T573-E576 PolarHBondContact O-N 2.81Å; E576-S579 PolarHBondContact O-OG 3.3Å; E576-S579 VanDerWaalsContact O-OG 3.11Å
577	L	51.4	Low	56.7	Low	128 Å²	128	124.2 Å²	124.2	67%	0.67	71%	0.708	S	S	*	*	H	α-helix	trans	-73.9	-23.4	175.6	-88.5	152.7	0	0	0	114	T573	T573-L577 PolarHBondContact O-N 3.04Å
578	V	56.6	Low	55.7	Low	125 Å²	125	126.5 Å²	126.5	76%	0.758	72%	0.719	S	S	*	*	H	α-helix	trans	-85.5	-17.3	177.5	174.8	0	0	0	0	111.9	H574 H575	H574-V578 VanDerWaalsContact O-CG2 3.3Å; H574-V578 WeakPolarHBondContact O-CG2 3.34Å; H574-V578 PolarHBondContact O-N 3.39Å; H575-V578 PolarHBondContact O-N 3.48Å
579	S	52	Low	54.8	Low	82 Å²	82	129.8 Å²	129.8	57%	0.573	73%	0.734	S	S	*	*			trans	-96.2	13.5	-178.1	45.5	0	0	0	0	115.7	H575 E576 P581	H575-S579 PolarHBondContact O-N 3.3Å; H575-S579 PolarHBondContact O-OG 3.08Å; E576-S579 PolarHBondContact O-OG 3.3Å; E576-S579 VanDerWaalsContact O-OG 3.11Å; S579-P581 VanDerWaalsContact O-CD 3.25Å; S579-P581 WeakPolarHBondContact O-CD 3.46Å
580	L	47.6	Very low	53.9	Low	132 Å²	132	128.3 Å²	128.3	69%	0.691	74%	0.736	S	S	*	*			trans	-69.5	111.8	170.7	-99.3	150.6	0	0	0	109.6	L582	L580-L582 PolarHBondContact O-N 3.13Å
581	P	50.2	Low	53	Low	114 Å²	114	131.4 Å²	131.4	74%	0.74	75%	0.753	S	S	*	*			trans	-74.7	121.2	180	21.2	-13.2	0	0	0	109.1	S579 S583	S579-P581 VanDerWaalsContact O-CD 3.25Å; S579-P581 WeakPolarHBondContact O-CD 3.46Å; P581-S583 PolarHBondContact O-N 2.74Å
582	L	52.1	Low	52.4	Low	171 Å²	171	133.1 Å²	133.1	90%	0.895	77%	0.765	S	S	*	*			trans	-59.9	102.8	164.6	-81.7	158	0	0	0	108.3	L580 H584	L580-L582 PolarHBondContact O-N 3.13Å; L582-H584 PolarHBondContact O-N 3.32Å
583	S	46	Very low	51.9	Low	118 Å²	118	134.5 Å²	134.5	83%	0.825	78%	0.776	S	S	*	*			trans	-60.4	104.3	173.7	-176.6	0	0	0	0	109.9	P581 K585	P581-S583 PolarHBondContact O-N 2.74Å; S583-K585 PolarHBondContact O-N 3.28Å
584	H	51.2	Low	51.4	Low	181 Å²	181	138.8 Å²	138.8	84%	0.838	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.7	125.2	166.2	-113.8	-81.8	0	0	0	109.5	L582	L582-H584 PolarHBondContact O-N 3.32Å
585	K	50	Low	51.1	Low	190 Å²	190	139.8 Å²	139.8	83%	0.826	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.3	145.8	165.3	-95.7	-179.8	173.3	178.5	0	109.8	S583	S583-K585 PolarHBondContact O-N 3.28Å
586	P	51.4	Low	50.8	Low	130 Å²	130	138.9 Å²	138.9	84%	0.844	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.8	144.3	-174.3	34.8	-32.4	0	0	0	111.7
587	G	48.1	Very low	50.6	Low	152 Å²	152	138.5 Å²	138.5	100%	1.567	84%	0.839	S	S	*	*			trans	-113.6	0	155.2	0	0	0	0	0	109.3

Retrieved 587 of 587 residues in 546.6 ms (Link to these results)

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