A0A077ZB67_TRITR Loading...

Mitogen-activated protein kinase

Has a role in the Wnt signaling pathway controlling the asymmetry of cell divisions during embryogenesis. Operates in the AB and EMS cell lineages influencing cell specification. Required for body wall muscle development, endoderm development, pop-1 asymmetry and T-cell division asymmetry. Component of the beta-catenin-lit-1 complex which promotes the phosphorylation, down-regulation and subcellular relocation of pop-1. Regulates plp-1 nuclear localization in embryos. Plays a role in male tail tip morphogenesis.

AlphaFold DB , UniProt , Accession A0A077ZB67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 432 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	67.9	Low	73.1	Confident	164 Å²	164	77.2 Å²	77.2	81%	0.808	39%	0.39	S	S	*	.				0	156.6	0	-60.1	-169.9	-154.2	0	0	109.5	N404 D406 S407	M1-N404 WeakPolarHBondContact CB-ND2 3.32Å; M1-D406 HydrophobicContact CE-CB 4.44Å; M1-D406 HydrophobicContact SD-CB 4.47Å; M1-S407 PolarHBondContact O-OG 3.34Å; M1-S407 VanDerWaalsContact O-OG 3.13Å
2	A	84.6	Confident	70.7	Confident	41 Å²	41	78.7 Å²	78.7	34%	0.339	42%	0.423	S	S	.	.			trans	-69.6	155	174.3	0	0	0	0	0	111.3	V4 N404 S407	A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 3.24Å; A2-N404 WeakPolarHBondContact O-CB 3.35Å; A2-N404 PolarHBondContact O-ND2 3.02Å; A2-S407 WeakPolarHBondContact O-CB 3.11Å
3	L	86.6	Confident	68.3	Low	0 Å²	0	77.9 Å²	77.9	0%	0	45%	0.445	C	S	.	.	S	Bend	trans	-67.2	-27.3	178.8	-175.4	60.8	0	0	0	113.2	D43 W55 V57 L68 I403 N404 S407 F410 F413	L3-D43 HydrophobicContact CB-CB 4.41Å; L3-D43 VanDerWaalsContact CB-OD2 3.26Å; L3-D43 WeakPolarHBondContact CB-OD2 3.41Å; L3-D43 PolarHBondContact N-OD2 3.07Å; L3-W55 HydrophobicContact CD2-CD2 4.49Å; L3-W55 HydrophobicContact CD2-CE3 4.12Å; L3-V57 HydrophobicContact CB-CG1 4.43Å; L3-V57 HydrophobicContact CD2-CG1 3.98Å; L3-L68 HydrophobicContact CD2-CD2 3.99Å; L3-L68 HydrophobicContact CG-CD2 4.42Å; L3-I403 HydrophobicContact CD1-CD1 3.9Å; L3-I403 HydrophobicContact CD1-CG1 4.42Å; L3-I403 HydrophobicContact CG-CD1 3.8Å; L3-I403 WeakPolarHBondContact O-CD1 3.4Å; L3-N404 WeakPolarHBondContact O-CB 3.45Å; L3-N404 PolarHBondContact O-N 2.88Å; L3-S407 PolarHBondContact N-OG 3.03Å; L3-F410 HydrophobicContact CD1-CB 4.1Å; L3-F410 HydrophobicContact CD1-CD2 3.92Å; L3-F413 HydrophobicContact CD1-CB 4.15Å; L3-F413 HydrophobicContact CD1-CD1 3.96Å; L3-F413 HydrophobicContact CD1-CG 4.16Å; L3-F413 HydrophobicContact CD2-CB 3.91Å; L3-F413 HydrophobicContact CD2-CD1 3.96Å; L3-F413 HydrophobicContact CD2-CD2 3.68Å; L3-F413 HydrophobicContact CD2-CE1 4.32Å; L3-F413 HydrophobicContact CD2-CE2 4.11Å; L3-F413 HydrophobicContact CD2-CG 3.59Å; L3-F413 HydrophobicContact CD2-CZ 4.38Å; L3-F413 HydrophobicContact CG-CD1 4.4Å; L3-F413 HydrophobicContact CG-CG 4.45Å
4	V	88.7	Confident	66.1	Low	3 Å²	3	80 Å²	80	2%	0.018	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.3	176.6	-176.8	0	0	0	0	109.4	A2 V57 L68 L106 L401	A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 3.24Å; V4-V57 HydrophobicContact CG2-CB 4.24Å; V4-V57 HydrophobicContact CG2-CG1 4.5Å; V4-V57 HydrophobicContact CG2-CG2 3.87Å; V4-L68 HydrophobicContact CG2-CD2 4.01Å; V4-L106 HydrophobicContact CG1-CD1 4.29Å; V4-L106 HydrophobicContact CG1-CD2 3.95Å; V4-L106 HydrophobicContact CG2-CD1 4.22Å; V4-L401 HydrophobicContact CG1-CB 3.92Å; V4-L401 HydrophobicContact CG1-CD1 3.76Å; V4-L401 HydrophobicContact CG1-CD2 4.34Å; V4-L401 HydrophobicContact CG1-CG 4.25Å
5	S	87.3	Confident	63.7	Low	17 Å²	17	84.5 Å²	84.5	12%	0.119	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.7	-176.6	63.2	0	0	0	0	112.6	L401 C402	S5-L401 WeakPolarHBondContact O-CA 3.45Å; S5-C402 PolarHBondContact N-O 3.25Å; S5-C402 PolarHBondContact O-N 3.25Å; S5-C402 PolarHBondContact O-SG 3.25Å; S5-C402 PolarHBondContact OG-SG 3.31Å; S5-C402 VanDerWaalsContact OG-SG 3.33Å
6	H	87.2	Confident	61.9	Low	53 Å²	53	87.3 Å²	87.3	25%	0.245	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.9	169.4	-57.8	136.8	0	0	0	110.3	R8 C9 I399	H6-R8 PolarHBondContact O-N 2.88Å; H6-R8 VanDerWaalsContact O-N 3.14Å; H6-C9 PolarHBondContact O-N 2.95Å; H6-I399 HydrophobicContact CB-CG2 4.27Å; H6-I399 WeakPolarHBondContact CD2-CG2 3.24Å
7	Q	77	Confident	60.3	Low	61 Å²	61	88.9 Å²	88.9	29%	0.285	51%	0.512	S	S	.	.	H	α-helix	trans	-59	-30.8	-177.9	-165.4	173.4	3.3	0	0	113.5	C9 L10 P400	Q7-C9 VanDerWaalsContact C-N 3.27Å; Q7-C9 PolarHBondContact O-N 2.63Å; Q7-L10 PolarHBondContact O-N 2.87Å; Q7-P400 HydrophobicContact CB-CG 4.19Å; Q7-P400 PolarHBondContact N-O 2.91Å; Q7-P400 VanDerWaalsContact N-O 3.16Å
8	R	66.4	Low	58.7	Low	228 Å²	228	92.1 Å²	92.1	86%	0.86	53%	0.527	S	S	*	.	H	α-helix	trans	-65.6	-25.1	178	-69	-175.2	-178.9	180	1	113.8	H6	H6-R8 PolarHBondContact O-N 2.88Å; H6-R8 VanDerWaalsContact O-N 3.14Å
9	C	57.6	Low	57.4	Low	88 Å²	88	96.7 Å²	96.7	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-75.8	-23.1	-176.8	-68.9	0	0	0	0	113.4	H6 Q7	H6-C9 PolarHBondContact O-N 2.95Å; Q7-C9 VanDerWaalsContact C-N 3.27Å; Q7-C9 PolarHBondContact O-N 2.63Å
10	L	54.2	Low	56.1	Low	58 Å²	58	97.5 Å²	97.5	30%	0.304	55%	0.553	S	S	.	*	H	α-helix	trans	-86.1	-26.3	-179	-67.2	177.9	0	0	0	113.3	Q7 A12 C402	Q7-L10 PolarHBondContact O-N 2.87Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.34Å; L10-C402 WeakPolarHBondContact CD1-SG 3.47Å
11	L	46.9	Very low	54.8	Low	136 Å²	136	98 Å²	98	71%	0.712	56%	0.563	S	S	*	*	H	α-helix	trans	-74.2	-20.5	179.5	-70.9	169.9	0	0	0	113.3	G13	L11-G13 PolarHBondContact O-N 2.78Å
12	A	43.7	Very low	53.1	Low	95 Å²	95	97.7 Å²	97.7	79%	0.785	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-6.3	178.2	0	0	0	0	0	114	L10	L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.34Å
13	G	40.3	Very low	50.6	Low	69 Å²	69	102.9 Å²	102.9	71%	0.711	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-2.3	-177.9	0	0	0	0	0	115.6	L11	L11-G13 PolarHBondContact O-N 2.78Å
14	V	37.5	Very low	47.9	Very low	107 Å²	107	107.2 Å²	107.2	65%	0.648	62%	0.62	S	S	*	*	S	Bend	trans	-131.2	109.9	-175.3	-171.4	0	0	0	0	108.4
15	N	30.4	Very low	45.1	Very low	147 Å²	147	113.3 Å²	113.3	79%	0.786	66%	0.658	S	S	*	*	S	Bend	trans	85.8	93.7	-176.5	-55.6	-20	0	0	0	116.2
16	D	34.6	Very low	42.3	Very low	129 Å²	129	120.8 Å²	120.8	69%	0.69	69%	0.691	S	S	*	*				175	83.9	115.2	-95.3	-16.2	0	0	0	110.6	N18	D16-N18 PolarHBondContact O-N 3.29Å
17	S	34.1	Very low	39.8	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	72%	0.715	S	S	*	*	S	Bend	trans	-74.5	75.2	152.8	49.5	0	0	0	0	108
18	N	32	Very low	37.5	Very low	146 Å²	146	130 Å²	130	78%	0.781	74%	0.739	S	S	*	*	S	Bend	trans	151.2	79	161.1	-81.1	-22.8	0	0	0	110.8	D16	D16-N18 PolarHBondContact O-N 3.29Å
19	K	33.2	Very low	36	Very low	180 Å²	180	128.6 Å²	128.6	78%	0.783	74%	0.739	S	S	*	*			trans	-168.9	89.1	146.4	-105.6	162.2	-168.5	-178.9	0	110.4
20	S	31.1	Very low	34.9	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	75%	0.746	S	S	*	*			trans	-59.5	140.1	151	31.1	0	0	0	0	109.8
21	S	29.8	Very low	33.7	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	77%	0.765	S	S	*	*			trans	73.2	97.6	175.4	72.8	0	0	0	0	116.6
22	L	32.6	Very low	32.9	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	77%	0.769	S	S	*	*			trans	-162.8	94.2	134.5	-98.3	168.1	0	0	0	109.2
23	L	32.5	Very low	32.3	Very low	150 Å²	150	131 Å²	131	79%	0.785	77%	0.77	S	S	*	*			trans	56	110.3	139	-64.5	165.2	0	0	0	119.6	T25	L23-T25 PolarHBondContact O-N 3.24Å
24	A	28	Very low	31.7	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	78%	0.776	S	S	*	*			trans	-35.8	123.8	151.6	0	0	0	0	0	113.4
25	T	31.8	Very low	31.4	Very low	131 Å²	131	135.2 Å²	135.2	80%	0.804	79%	0.785	S	S	*	*			trans	-115.8	86.4	150.7	35	0	0	0	0	107.5	L23 S27	L23-T25 PolarHBondContact O-N 3.24Å; T25-S27 PolarHBondContact O-N 3.04Å; T25-S27 VanDerWaalsContact O-N 3.11Å
26	Q	28.2	Very low	31.4	Very low	175 Å²	175	136.5 Å²	136.5	82%	0.818	79%	0.787	S	S	*	*			trans	-57.2	109.2	159	-76.8	176.1	-13.9	0	0	107.8	Y28	Q26-Y28 PolarHBondContact O-N 3.49Å
27	S	33.6	Very low	31.5	Very low	107 Å²	107	139 Å²	139	75%	0.748	80%	0.796	S	S	*	*			trans	-87.9	103.1	162.6	-56.6	0	0	0	0	107.1	T25 F29	T25-S27 PolarHBondContact O-N 3.04Å; T25-S27 VanDerWaalsContact O-N 3.11Å; S27-F29 PolarHBondContact O-N 3.24Å
28	Y	29	Very low	31.8	Very low	200 Å²	200	141 Å²	141	78%	0.784	79%	0.793	S	S	*	*			trans	-42	119.2	168.4	-107	-110.2	0	0	0	111.7	Q26	Q26-Y28 PolarHBondContact O-N 3.49Å
29	F	35.5	Very low	32.3	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.873	80%	0.797	S	S	*	*			trans	-131.1	123.9	142.4	-84.7	-77.9	0	0	0	107.1	S27	S27-F29 PolarHBondContact O-N 3.24Å
30	P	33.8	Very low	33.6	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	79%	0.792	S	S	*	*			trans	-69.8	140.7	-176.6	28.8	-31.9	0	0	0	110.4
31	G	29.7	Very low	35.4	Very low	67 Å²	67	138 Å²	138	69%	0.691	78%	0.778	S	S	*	*			trans	-70.2	177.7	174.3	0	0	0	0	0	113.9
32	S	29.8	Very low	37.8	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	77%	0.772	S	S	*	*			trans	74.3	111.3	-166.3	72.7	0	0	0	0	111.9
33	V	31.5	Very low	40.4	Very low	131 Å²	131	131.2 Å²	131.2	79%	0.794	74%	0.739	S	S	*	*				-150.6	141.4	50.7	174.6	0	0	0	0	109	Q35	V33-Q35 PolarHBondContact O-N 2.92Å; V33-Q35 VanDerWaalsContact O-N 3.14Å
34	G	27.3	Very low	43	Very low	81 Å²	81	130.3 Å²	130.3	84%	0.835	73%	0.725	S	S	*	*			trans	-53.6	117.5	177.1	0	0	0	0	0	112.3
35	Q	31.6	Very low	45.7	Very low	183 Å²	183	128.5 Å²	128.5	86%	0.855	71%	0.706	S	S	*	*			trans	-117.5	122	162.7	-79	-178.2	-6.2	0	0	107.4	V33 M37	V33-Q35 PolarHBondContact O-N 2.92Å; V33-Q35 VanDerWaalsContact O-N 3.14Å; Q35-M37 PolarHBondContact O-N 3.1Å
36	Q	30.6	Very low	48.2	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	68%	0.682	S	S	*	*			trans	-38	131.7	177.7	-67.5	164.1	-18.2	0	0	110.8	Q38	Q36-Q38 PolarHBondContact O-N 3.34Å
37	M	34.8	Very low	50.2	Low	181 Å²	181	117.8 Å²	117.8	89%	0.892	65%	0.654	S	S	*	*			trans	-58.8	88	157.2	-77.5	179.5	72	0	0	106.8	Q35 N39	Q35-M37 PolarHBondContact O-N 3.1Å; M37-N39 PolarHBondContact O-N 3.49Å
38	Q	40.9	Very low	51.5	Low	159 Å²	159	119.7 Å²	119.7	74%	0.743	65%	0.645	S	S	*	*			trans	-54	125.2	169.6	-75.8	-179.6	-7.9	0	0	106.4	Q36 V40	Q36-Q38 PolarHBondContact O-N 3.34Å; Q38-V40 WeakPolarHBondContact O-CG2 3.49Å; Q38-V40 PolarHBondContact O-N 2.92Å
39	N	44	Very low	52.8	Low	162 Å²	162	111.7 Å²	111.7	87%	0.866	62%	0.623	S	S	*	*			trans	-36.2	96.6	178.4	-87.5	-26.3	0	0	0	111.1	M37 Q41	M37-N39 PolarHBondContact O-N 3.49Å; N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.35Å
40	V	60.2	Low	53.3	Low	109 Å²	109	104.9 Å²	104.9	66%	0.661	60%	0.604	S	S	*	*			trans	-71.9	93.3	179	-177.9	0	0	0	0	105.7	Q38	Q38-V40 WeakPolarHBondContact O-CG2 3.49Å; Q38-V40 PolarHBondContact O-N 2.92Å
41	Q	67.3	Low	54.1	Low	104 Å²	104	101.9 Å²	101.9	49%	0.486	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-55.6	136.2	175.3	-72.9	-170.2	-5.5	0	0	108.7	N39 K65	N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.35Å; Q41-K65 PolarHBondContact O-NZ 3.42Å
42	P	81.3	Confident	55.6	Low	101 Å²	101	99 Å²	99	66%	0.656	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-61.4	152.4	-179.6	25.8	-33.9	0	0	0	111	R44	P42-R44 PolarHBondContact O-N 2.95Å
43	D	86.2	Confident	57.8	Low	23 Å²	23	93.6 Å²	93.6	12%	0.123	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-59.5	130.9	170.5	-62.2	-23.4	0	0	0	108.6	L3 W55 S56 V57 T58 K65 A409	L3-D43 HydrophobicContact CB-CB 4.41Å; L3-D43 VanDerWaalsContact CB-OD2 3.26Å; L3-D43 WeakPolarHBondContact CB-OD2 3.41Å; L3-D43 PolarHBondContact N-OD2 3.07Å; D43-W55 HydrophobicContact CB-CE3 4.42Å; D43-S56 VanDerWaalsContact CA-O 3.3Å; D43-S56 WeakPolarHBondContact CA-O 3.26Å; D43-V57 HydrophobicContact CB-CG1 4.26Å; D43-V57 VanDerWaalsContact OD1-CA 3.32Å; D43-V57 WeakPolarHBondContact OD1-CA 3.43Å; D43-T58 PolarHBondContact OD1-N 3.05Å; D43-K65 IonicContact OD1-NZ 2.85Å; D43-A409 HydrophobicContact CB-CB 4.48Å
44	R	87.5	Confident	60.5	Low	130 Å²	130	89 Å²	89	49%	0.491	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.9	-170.4	66.3	179.1	-179.2	174.8	-0.7	112.5	P42 W55 S56	P42-R44 PolarHBondContact O-N 2.95Å; R44-W55 CarbonylContact O-C 3.48Å; R44-W55 WeakPolarHBondContact O-CA 3.39Å; R44-S56 PolarHBondContact N-O 3.5Å; R44-S56 VanDerWaalsContact N-O 3.1Å; R44-S56 PolarHBondContact O-N 3.22Å
45	P	85.7	Confident	63.6	Low	53 Å²	53	85.4 Å²	85.4	34%	0.344	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	142.7	170.9	28.4	-34	0	0	0	110.7	V53 W55	P45-V53 HydrophobicContact CB-CG1 4.41Å; P45-W55 HydrophobicContact CB-CD2 4.35Å; P45-W55 HydrophobicContact CB-CZ2 4.22Å; P45-W55 HydrophobicContact CG-CZ2 4.29Å
46	I	83.5	Confident	66.5	Low	60 Å²	60	76.9 Å²	76.9	31%	0.308	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-19.4	178.4	61	174.7	0	0	0	113.8	V54 A67 L123	I46-V54 HydrophobicContact CD1-CB 4.42Å; I46-V54 HydrophobicContact CD1-CG1 3.73Å; I46-V54 HydrophobicContact CG1-CB 3.99Å; I46-V54 HydrophobicContact CG1-CG1 3.82Å; I46-V54 WeakPolarHBondContact CG1-O 3.43Å; I46-V54 PolarHBondContact N-O 2.95Å; I46-A67 HydrophobicContact CD1-CB 4.19Å; I46-L123 HydrophobicContact CD1-CD1 3.27Å
47	G	70.6	Confident	69.6	Low	21 Å²	21	68.6 Å²	68.6	22%	0.216	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	150.4	-178.9	0	0	0	0	0	112.9	V54	G47-V54 PolarHBondContact N-O 2.87Å; G47-V54 PolarHBondContact O-N 2.92Å
48	Y	61.5	Low	72.4	Confident	147 Å²	147	61.1 Å²	61.1	58%	0.576	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.4	171.3	-55.7	-92.8	0	0	0	105.9	V53	Y48-V53 HydrophobicContact CD1-CG1 4.17Å; Y48-V53 HydrophobicContact CD1-CG2 3.78Å; Y48-V53 HydrophobicContact CE1-CG1 4.07Å; Y48-V53 HydrophobicContact CE1-CG2 4.09Å
49	G	55.6	Low	74.8	Confident	31 Å²	31	54 Å²	54	32%	0.32	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	172.5	174.9	0	0	0	0	0	110.6	F51 G52 V418	G49-F51 PolarHBondContact O-N 3.17Å; G49-G52 PolarHBondContact N-O 3.34Å; G49-G52 PolarHBondContact O-N 2.79Å; G49-V418 WeakPolarHBondContact O-CG1 3.46Å; G49-V418 WeakPolarHBondContact O-CG2 3.24Å
50	A	46.2	Very low	77.1	Confident	57 Å²	57	48.5 Å²	48.5	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.8	-178.7	0	0	0	0	0	114.3
51	F	51	Low	78.7	Confident	50 Å²	50	44.9 Å²	44.9	22%	0.219	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	5.3	-175	-53.9	-66.9	0	0	0	114.9	G49 R83 D184	G49-F51 PolarHBondContact O-N 3.17Å; F51-R83 VanDerWaalsContact CE1-CZ 3.43Å; F51-D184 WeakPolarHBondContact CD2-OD1 3.44Å; F51-D184 WeakPolarHBondContact CD2-OD2 3.41Å; F51-D184 WeakPolarHBondContact CE2-OD1 3.43Å; F51-D184 WeakPolarHBondContact CE2-OD2 3.42Å
52	G	60.9	Low	79.8	Confident	6 Å²	6	42 Å²	42	6%	0.062	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-174.8	176.5	0	0	0	0	0	114.4	G49 V418	G49-G52 PolarHBondContact N-O 3.34Å; G49-G52 PolarHBondContact O-N 2.79Å; G52-V418 VanDerWaalsContact CA-CG2 3.45Å
53	V	74.8	Confident	80.3	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.6	179.2	-171.5	0	0	0	0	108.7	P45 Y48 R70 S416 V418	P45-V53 HydrophobicContact CB-CG1 4.41Å; Y48-V53 HydrophobicContact CD1-CG1 4.17Å; Y48-V53 HydrophobicContact CD1-CG2 3.78Å; Y48-V53 HydrophobicContact CE1-CG1 4.07Å; Y48-V53 HydrophobicContact CE1-CG2 4.09Å; V53-R70 PolarHBondContact O-N 3.33Å; V53-S416 WeakPolarHBondContact CG2-O 3.45Å; V53-V418 HydrophobicContact CG2-CG2 4.48Å
54	V	88.3	Confident	80.6	Confident	35 Å²	35	45.2 Å²	45.2	21%	0.212	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.6	176.2	-170.6	0	0	0	0	108.5	I46 G47 A67 L68 K69	I46-V54 HydrophobicContact CD1-CB 4.42Å; I46-V54 HydrophobicContact CD1-CG1 3.73Å; I46-V54 HydrophobicContact CG1-CB 3.99Å; I46-V54 HydrophobicContact CG1-CG1 3.82Å; I46-V54 WeakPolarHBondContact CG1-O 3.43Å; I46-V54 PolarHBondContact N-O 2.95Å; G47-V54 PolarHBondContact N-O 2.87Å; G47-V54 PolarHBondContact O-N 2.92Å; V54-A67 HydrophobicContact CG1-CB 3.82Å; V54-L68 WeakPolarHBondContact CA-O 3.42Å; V54-K69 HydrophobicContact CG2-CB 4.38Å; V54-K69 HydrophobicContact CG2-CG 4.38Å
55	W	92.7	Very high	80.9	Confident	5 Å²	5	42.3 Å²	42.3	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.2	178.8	-80.4	57.9	0	0	0	110.9	L3 D43 R44 P45 V57 A67 L68 A409 S412 F413	L3-W55 HydrophobicContact CD2-CD2 4.49Å; L3-W55 HydrophobicContact CD2-CE3 4.12Å; D43-W55 HydrophobicContact CB-CE3 4.42Å; R44-W55 CarbonylContact O-C 3.48Å; R44-W55 WeakPolarHBondContact O-CA 3.39Å; P45-W55 HydrophobicContact CB-CD2 4.35Å; P45-W55 HydrophobicContact CB-CZ2 4.22Å; P45-W55 HydrophobicContact CG-CZ2 4.29Å; W55-V57 HydrophobicContact CB-CG1 4.01Å; W55-V57 PolarHBondContact O-N 2.9Å; W55-A67 CarbonylContact O-C 3.57Å; W55-A67 WeakPolarHBondContact O-CA 3.3Å; W55-L68 HydrophobicContact CB-CB 4.5Å; W55-L68 PolarHBondContact N-O 3.41Å; W55-L68 PolarHBondContact O-N 3.49Å; W55-A409 HydrophobicContact CZ3-CB 3.94Å; W55-S412 WeakPolarHBondContact CH2-OG 3.37Å; W55-F413 HydrophobicContact CB-CD2 4.32Å; W55-F413 HydrophobicContact CB-CE2 4.28Å; W55-F413 AromaticContact CD1-CD2 3.44Å; W55-F413 VanDerWaalsContact CD1-CD2 3.44Å; W55-F413 AromaticContact CD1-CE2 3.73Å; W55-F413 HydrophobicContact CD2-CB 4.37Å; W55-F413 AromaticContact CD2-CD2 3.65Å; W55-F413 HydrophobicContact CD2-CD2 3.65Å; W55-F413 HydrophobicContact CD2-CE2 4.44Å; W55-F413 HydrophobicContact CD2-CG 4.48Å; W55-F413 AromaticContact CE2-CD2 3.65Å; W55-F413 HydrophobicContact CE3-CD2 4.4Å; W55-F413 AromaticContact CG-CD2 3.56Å; W55-F413 HydrophobicContact CG-CD2 3.56Å; W55-F413 AromaticContact CG-CE2 3.9Å; W55-F413 HydrophobicContact CG-CE2 3.9Å; W55-F413 HydrophobicContact CH2-CB 4.15Å; W55-F413 VanDerWaalsContact CZ2-CA 3.4Å; W55-F413 HydrophobicContact CZ2-CB 3.93Å; W55-F413 HydrophobicContact CZ2-CD2 4.39Å; W55-F413 HydrophobicContact CZ3-CB 4.47Å; W55-F413 AromaticContact NE1-CD2 3.5Å
56	S	93.1	Very high	81.3	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.1	164.2	163	0	0	0	0	108	D43 R44 V66	D43-S56 VanDerWaalsContact CA-O 3.3Å; D43-S56 WeakPolarHBondContact CA-O 3.26Å; R44-S56 PolarHBondContact N-O 3.5Å; R44-S56 VanDerWaalsContact N-O 3.1Å; R44-S56 PolarHBondContact O-N 3.22Å; S56-V66 WeakPolarHBondContact CA-O 3.41Å
57	V	94.5	Very high	81.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	166.3	179.6	-56.1	0	0	0	0	111.1	L3 V4 D43 W55 K65 V66 L68 L120	L3-V57 HydrophobicContact CB-CG1 4.43Å; L3-V57 HydrophobicContact CD2-CG1 3.98Å; V4-V57 HydrophobicContact CG2-CB 4.24Å; V4-V57 HydrophobicContact CG2-CG1 4.5Å; V4-V57 HydrophobicContact CG2-CG2 3.87Å; D43-V57 HydrophobicContact CB-CG1 4.26Å; D43-V57 VanDerWaalsContact OD1-CA 3.32Å; D43-V57 WeakPolarHBondContact OD1-CA 3.43Å; W55-V57 HydrophobicContact CB-CG1 4.01Å; W55-V57 PolarHBondContact O-N 2.9Å; V57-K65 CarbonylContact O-C 3.51Å; V57-K65 WeakPolarHBondContact O-CA 3.5Å; V57-K65 WeakPolarHBondContact O-CD 3.3Å; V57-V66 HydrophobicContact CG2-CG2 3.66Å; V57-V66 PolarHBondContact N-O 3.22Å; V57-V66 PolarHBondContact O-N 2.89Å; V57-L68 HydrophobicContact CB-CB 4.5Å; V57-L68 HydrophobicContact CG1-CB 3.86Å; V57-L68 HydrophobicContact CG1-CD2 3.93Å; V57-L68 HydrophobicContact CG2-CB 3.78Å; V57-L120 HydrophobicContact CG2-CD2 4Å
58	T	93.6	Very high	83	Confident	24 Å²	24	36.4 Å²	36.4	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.1	172.6	-42.1	0	0	0	0	110	D43 P60 G63 K65	D43-T58 PolarHBondContact OD1-N 3.05Å; T58-P60 WeakPolarHBondContact O-CD 3.29Å; T58-G63 WeakPolarHBondContact CG2-O 3.48Å; T58-K65 PolarHBondContact OG1-NZ 2.97Å
59	D	93.1	Very high	84.5	Confident	9 Å²	9	30.9 Å²	30.9	5%	0.048	19%	0.187	C	C	.	.			trans	-72.3	113.7	168.9	-175.6	-29.3	0	0	0	108.8	R61 S62 G63 K64 V66	D59-R61 PolarHBondContact O-N 2.8Å; D59-R61 VanDerWaalsContact O-N 3.13Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.38Å; D59-R61 WeakPolarHBondContact OD1-CG 3.41Å; D59-R61 IonicContact OD1-CZ 3.58Å; D59-R61 PolarHBondContact OD1-N 2.74Å; D59-R61 IonicContact OD1-NE 3.31Å; D59-R61 PolarHBondContact OD1-NE 3.32Å; D59-R61 IonicContact OD1-NH2 2.69Å; D59-R61 IonicContact OD2-CZ 2.9Å; D59-R61 IonicContact OD2-NE 3.48Å; D59-R61 PolarHBondContact OD2-NE 2.72Å; D59-R61 IonicContact OD2-NH2 2.64Å; D59-R61 PolarHBondContact OD2-NH2 2.82Å; D59-S62 PolarHBondContact O-N 3.3Å; D59-G63 WeakPolarHBondContact O-CA 3.5Å; D59-G63 PolarHBondContact O-N 3.43Å; D59-K64 PolarHBondContact N-O 3.08Å; D59-V66 HydrophobicContact CB-CG1 4.31Å; D59-V66 HydrophobicContact CB-CG2 4.12Å
60	P	92	Very high	86.1	Confident	48 Å²	48	31.2 Å²	31.2	31%	0.312	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.3	-174.4	29.9	-36.7	0	0	0	113.5	T58 L401	T58-P60 WeakPolarHBondContact O-CD 3.29Å; P60-L401 HydrophobicContact CG-CD2 3.59Å
61	R	92.5	Very high	88.2	Confident	32 Å²	32	28.7 Å²	28.7	12%	0.121	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-34.5	179.8	-57	168.7	-65	-162.5	-2.7	112.2	D59 D104 P396 Y397 I399 L401	D59-R61 PolarHBondContact O-N 2.8Å; D59-R61 VanDerWaalsContact O-N 3.13Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.38Å; D59-R61 WeakPolarHBondContact OD1-CG 3.41Å; D59-R61 IonicContact OD1-CZ 3.58Å; D59-R61 PolarHBondContact OD1-N 2.74Å; D59-R61 IonicContact OD1-NE 3.31Å; D59-R61 PolarHBondContact OD1-NE 3.32Å; D59-R61 IonicContact OD1-NH2 2.69Å; D59-R61 IonicContact OD2-CZ 2.9Å; D59-R61 IonicContact OD2-NE 3.48Å; D59-R61 PolarHBondContact OD2-NE 2.72Å; D59-R61 IonicContact OD2-NH2 2.64Å; D59-R61 PolarHBondContact OD2-NH2 2.82Å; R61-D104 IonicContact CZ-OD2 2.9Å; R61-D104 IonicContact NH1-OD2 2.64Å; R61-D104 PolarHBondContact NH1-OD2 3.46Å; R61-D104 IonicContact NH2-OD2 2.73Å; R61-D104 PolarHBondContact NH2-OD2 3.11Å; R61-P396 PolarHBondContact NH1-O 3.4Å; R61-P396 VanDerWaalsContact NH1-O 3.16Å; R61-Y397 HydrophobicContact CB-CD2 3.71Å; R61-Y397 HydrophobicContact CB-CE2 4.2Å; R61-Y397 HydrophobicContact CB-CG 4.22Å; R61-Y397 HydrophobicContact CG-CD2 4.43Å; R61-I399 WeakPolarHBondContact CD-O 3.3Å; R61-I399 HydrophobicContact CG-CB 4.25Å; R61-I399 HydrophobicContact CG-CD1 4.49Å; R61-I399 HydrophobicContact CG-CG2 4.33Å; R61-I399 PolarHBondContact NH1-O 2.86Å; R61-I399 VanDerWaalsContact NH1-O 3.12Å; R61-L401 HydrophobicContact CG-CD2 4.06Å; R61-L401 VanDerWaalsContact NH2-CD1 3.29Å
62	S	91.4	Very high	89.9	Confident	43 Å²	43	28.4 Å²	28.4	30%	0.301	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-12	-172.8	66.7	0	0	0	0	114.1	D59 K64	D59-S62 PolarHBondContact O-N 3.3Å; S62-K64 PolarHBondContact O-N 2.72Å; S62-K64 WeakPolarHBondContact OG-CB 3.46Å; S62-K64 PolarHBondContact OG-N 2.95Å
63	G	90.8	Very high	91.1	Very high	54 Å²	54	33 Å²	33	56%	0.557	18%	0.184	S	C	*	.			trans	71.7	-1.2	-172.1	0	0	0	0	0	114.4	T58 D59	T58-G63 WeakPolarHBondContact CG2-O 3.48Å; D59-G63 WeakPolarHBondContact O-CA 3.5Å; D59-G63 PolarHBondContact O-N 3.43Å
64	K	92.8	Very high	91.8	Very high	139 Å²	139	32.9 Å²	32.9	60%	0.604	18%	0.183	S	C	*	.			trans	-75.6	146.6	-177.8	-65.8	-175.5	178.5	-178.2	0	111.6	D59 S62	D59-K64 PolarHBondContact N-O 3.08Å; S62-K64 PolarHBondContact O-N 2.72Å; S62-K64 WeakPolarHBondContact OG-CB 3.46Å; S62-K64 PolarHBondContact OG-N 2.95Å
65	K	93.8	Very high	92	Very high	68 Å²	68	32.2 Å²	32.2	30%	0.296	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133	168.8	-69.3	-61.1	-167.5	-175.9	0	110.5	Q41 D43 V57 T58 L123	Q41-K65 PolarHBondContact O-NZ 3.42Å; D43-K65 IonicContact OD1-NZ 2.85Å; V57-K65 CarbonylContact O-C 3.51Å; V57-K65 WeakPolarHBondContact O-CA 3.5Å; V57-K65 WeakPolarHBondContact O-CD 3.3Å; T58-K65 PolarHBondContact OG1-NZ 2.97Å; K65-L123 HydrophobicContact CB-CD2 3.82Å
66	V	95	Very high	91.8	Very high	7 Å²	7	38 Å²	38	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.5	-178.6	-65.9	0	0	0	0	109.8	S56 V57 D59 L103 L120	S56-V66 WeakPolarHBondContact CA-O 3.41Å; V57-V66 HydrophobicContact CG2-CG2 3.66Å; V57-V66 PolarHBondContact N-O 3.22Å; V57-V66 PolarHBondContact O-N 2.89Å; D59-V66 HydrophobicContact CB-CG1 4.31Å; D59-V66 HydrophobicContact CB-CG2 4.12Å; V66-L103 HydrophobicContact CB-CD1 4.5Å; V66-L103 HydrophobicContact CG1-CD1 3.85Å; V66-L120 HydrophobicContact CG2-CD2 3.75Å
67	A	94.6	Very high	91.6	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.6	174.5	0	0	0	0	0	110.3	I46 V54 W55 L120 T121 L123	I46-A67 HydrophobicContact CD1-CB 4.19Å; V54-A67 HydrophobicContact CG1-CB 3.82Å; W55-A67 CarbonylContact O-C 3.57Å; W55-A67 WeakPolarHBondContact O-CA 3.3Å; A67-L120 CarbonylContact O-C 3.59Å; A67-L120 VanDerWaalsContact O-CA 3.3Å; A67-L120 WeakPolarHBondContact O-CA 3.32Å; A67-T121 PolarHBondContact N-O 3.38Å; A67-T121 PolarHBondContact O-N 3.21Å; A67-L123 HydrophobicContact CB-CD1 4.13Å
68	L	94.7	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108	174.9	179.2	69.5	0	0	0	109	L3 V4 V54 W55 V57 L106 Y118 L120 I403 F413	L3-L68 HydrophobicContact CD2-CD2 3.99Å; L3-L68 HydrophobicContact CG-CD2 4.42Å; V4-L68 HydrophobicContact CG2-CD2 4.01Å; V54-L68 WeakPolarHBondContact CA-O 3.42Å; W55-L68 HydrophobicContact CB-CB 4.5Å; W55-L68 PolarHBondContact N-O 3.41Å; W55-L68 PolarHBondContact O-N 3.49Å; V57-L68 HydrophobicContact CB-CB 4.5Å; V57-L68 HydrophobicContact CG1-CB 3.86Å; V57-L68 HydrophobicContact CG1-CD2 3.93Å; V57-L68 HydrophobicContact CG2-CB 3.78Å; L68-L106 HydrophobicContact CD1-CD1 3.88Å; L68-L106 HydrophobicContact CD1-CG 4.27Å; L68-Y118 HydrophobicContact CD1-CD1 4.38Å; L68-L120 HydrophobicContact CB-CD2 3.96Å; L68-L120 HydrophobicContact CD1-CD2 3.63Å; L68-L120 HydrophobicContact CD1-CG 4.29Å; L68-L120 HydrophobicContact CG-CD2 4.41Å; L68-I403 HydrophobicContact CD2-CD1 4.03Å; L68-F413 HydrophobicContact CD2-CE1 4.3Å; L68-F413 HydrophobicContact CD2-CE2 3.85Å; L68-F413 HydrophobicContact CD2-CZ 3.54Å; L68-F413 HydrophobicContact CG-CE2 4.38Å; L68-F413 HydrophobicContact CG-CZ 4.15Å
69	K	92.2	Very high	91	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.13	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.3	172.5	-178.1	173.4	179.4	176.4	0	109.4	V54 M71 E87 Y118 V119	V54-K69 HydrophobicContact CG2-CB 4.38Å; V54-K69 HydrophobicContact CG2-CG 4.38Å; K69-M71 HydrophobicContact CD-CE 3.95Å; K69-M71 HydrophobicContact CG-CG 4.47Å; K69-E87 IonicContact NZ-OE1 3.88Å; K69-E87 PolarHBondContact NZ-OE1 3Å; K69-E87 IonicContact NZ-OE2 3.8Å; K69-Y118 WeakPolarHBondContact O-CA 3.45Å; K69-V119 PolarHBondContact N-O 3.1Å; K69-V119 PolarHBondContact O-N 3.04Å
70	R	91	Very high	90.6	Very high	39 Å²	39	47.3 Å²	47.3	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.5	169.7	179.3	178	179	-148.4	3.8	109.9	V53 P72 E116 Y118 F413 I414	V53-R70 PolarHBondContact O-N 3.33Å; R70-P72 WeakPolarHBondContact O-CD 3.37Å; R70-E116 IonicContact CZ-OE2 2.97Å; R70-E116 IonicContact NE-OE2 2.86Å; R70-E116 PolarHBondContact NE-OE2 3.04Å; R70-E116 IonicContact NH2-OE2 3.42Å; R70-E116 PolarHBondContact NH2-OE2 3.15Å; R70-Y118 HydrophobicContact CB-CD1 4.08Å; R70-Y118 HydrophobicContact CB-CE1 3.91Å; R70-Y118 HydrophobicContact CG-CD1 4.16Å; R70-Y118 HydrophobicContact CG-CE1 3.59Å; R70-F413 HydrophobicContact CB-CE2 4.21Å; R70-F413 HydrophobicContact CB-CZ 3.89Å; R70-F413 HydrophobicContact CG-CZ 4.39Å; R70-I414 PolarHBondContact NH1-O 2.91Å
71	M	89.2	Confident	90.5	Very high	4 Å²	4	45 Å²	45	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	90.9	173.3	-62.9	177.6	175.1	0	0	108.6	K69 V74 V84 E87 I88 L91 E116 I117 V119	K69-M71 HydrophobicContact CD-CE 3.95Å; K69-M71 HydrophobicContact CG-CG 4.47Å; M71-V74 WeakPolarHBondContact O-CG2 3.47Å; M71-V84 HydrophobicContact SD-CG1 3.9Å; M71-E87 HydrophobicContact CE-CG 4.13Å; M71-I88 HydrophobicContact CE-CG2 4.09Å; M71-I88 HydrophobicContact SD-CG2 3.83Å; M71-L91 HydrophobicContact CE-CD1 4.48Å; M71-E116 WeakPolarHBondContact O-CA 3.39Å; M71-E116 WeakPolarHBondContact O-CB 3.47Å; M71-I117 HydrophobicContact CB-CB 4.38Å; M71-I117 PolarHBondContact N-O 3.14Å; M71-I117 PolarHBondContact O-N 2.77Å; M71-V119 HydrophobicContact CE-CG2 3.78Å; M71-V119 HydrophobicContact SD-CG2 4.02Å
72	P	87.4	Confident	90.4	Very high	44 Å²	44	45.1 Å²	45.1	29%	0.286	25%	0.254	S	S	.	.			trans	-77.8	165.5	-177.7	33.8	-35.5	0	0	0	111.9	R70 V74	R70-P72 WeakPolarHBondContact O-CD 3.37Å; P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 3.39Å; P72-V74 VanDerWaalsContact O-N 3.16Å
73	N	85.9	Confident	90.2	Very high	101 Å²	101	44.6 Å²	44.6	54%	0.54	25%	0.246	S	C	.	.			trans	53.8	38.2	167.9	-59.4	-31.8	0	0	0	114.3	F75 L76 V115	N73-F75 PolarHBondContact O-N 3.2Å; N73-F75 VanDerWaalsContact O-N 3.14Å; N73-L76 HydrophobicContact CB-CB 4.19Å; N73-L76 WeakPolarHBondContact O-CB 3.41Å; N73-L76 PolarHBondContact O-N 3.1Å; N73-L76 VanDerWaalsContact O-N 3.1Å; N73-V115 PolarHBondContact N-O 3.19Å; N73-V115 VanDerWaalsContact N-O 3.14Å
74	V	90	Very high	90.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.7	-176	176.7	0	0	0	0	111.4	M71 P72 C81 V84 V115 I117 I386	M71-V74 WeakPolarHBondContact O-CG2 3.47Å; P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 3.39Å; P72-V74 VanDerWaalsContact O-N 3.16Å; V74-C81 WeakPolarHBondContact O-CA 3.12Å; V74-C81 VanDerWaalsContact O-CB 3.27Å; V74-C81 WeakPolarHBondContact O-CB 3.4Å; V74-C81 PolarHBondContact O-N 3.45Å; V74-V84 HydrophobicContact CG1-CB 4.11Å; V74-V84 HydrophobicContact CG1-CG1 3.92Å; V74-V84 HydrophobicContact CG1-CG2 4.41Å; V74-V84 HydrophobicContact CG2-CG1 4.04Å; V74-V84 HydrophobicContact CG2-CG2 4.31Å; V74-V115 PolarHBondContact N-O 2.94Å; V74-I117 HydrophobicContact CG1-CD1 4.16Å; V74-I117 HydrophobicContact CG2-CB 4.49Å; V74-I117 HydrophobicContact CG2-CD1 4.07Å; V74-I117 HydrophobicContact CG2-CG1 4.09Å; V74-I386 HydrophobicContact CG1-CD1 4.27Å
75	F	91.8	Very high	90.2	Very high	21 Å²	21	36.5 Å²	36.5	9%	0.092	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	20.6	-176.8	-53.1	-66.8	0	0	0	113.9	N73 C81 F114 M379 R383 I386	N73-F75 PolarHBondContact O-N 3.2Å; N73-F75 VanDerWaalsContact O-N 3.14Å; F75-C81 HydrophobicContact CD1-CB 4.49Å; F75-F114 VanDerWaalsContact CD2-O 3.27Å; F75-F114 WeakPolarHBondContact CD2-O 3.45Å; F75-F114 HydrophobicContact CE2-CD1 4.46Å; F75-F114 AromaticContact CE2-CD2 3.74Å; F75-F114 HydrophobicContact CE2-CD2 3.74Å; F75-F114 HydrophobicContact CE2-CE1 4.27Å; F75-F114 AromaticContact CE2-CE2 3.51Å; F75-F114 HydrophobicContact CE2-CE2 3.51Å; F75-F114 HydrophobicContact CE2-CG 4.23Å; F75-F114 AromaticContact CE2-CZ 3.81Å; F75-F114 HydrophobicContact CE2-CZ 3.81Å; F75-F114 WeakPolarHBondContact CE2-O 3.21Å; F75-F114 HydrophobicContact CZ-CD2 4.14Å; F75-F114 HydrophobicContact CZ-CE1 4.14Å; F75-F114 AromaticContact CZ-CE2 3.42Å; F75-F114 HydrophobicContact CZ-CE2 3.42Å; F75-F114 VanDerWaalsContact CZ-CE2 3.42Å; F75-F114 AromaticContact CZ-CZ 3.43Å; F75-F114 HydrophobicContact CZ-CZ 3.43Å; F75-F114 VanDerWaalsContact CZ-CZ 3.43Å; F75-M379 HydrophobicContact CB-SD 4.02Å; F75-M379 HydrophobicContact CD1-CG 4.22Å; F75-M379 WeakPolarHBondContact O-CE 3.49Å; F75-R383 HydrophobicContact CD1-CB 4.22Å; F75-R383 HydrophobicContact CE1-CB 3.55Å; F75-R383 HydrophobicContact CE1-CG 3.86Å; F75-R383 HydrophobicContact CE2-CG 4.16Å; F75-R383 HydrophobicContact CZ-CB 3.87Å; F75-R383 HydrophobicContact CZ-CG 3.62Å; F75-I386 HydrophobicContact CE1-CD1 4.1Å; F75-I386 HydrophobicContact CZ-CD1 4.4Å
76	L	87.7	Confident	90.1	Very high	126 Å²	126	33.7 Å²	33.7	66%	0.66	18%	0.184	S	C	*	.	S	Bend	trans	-62.1	-44.4	178.5	178.2	63.1	0	0	0	112.3	N73	N73-L76 HydrophobicContact CB-CB 4.19Å; N73-L76 WeakPolarHBondContact O-CB 3.41Å; N73-L76 PolarHBondContact O-N 3.1Å; N73-L76 VanDerWaalsContact O-N 3.1Å
77	N	89.1	Confident	90	Very high	74 Å²	74	33.5 Å²	33.5	40%	0.396	18%	0.182	S	C	.	.	S	Bend	trans	-152	166.8	174.2	61.9	55	0	0	0	109.5	A79 S80 C81 M379	N77-A79 VanDerWaalsContact C-N 3.28Å; N77-A79 PolarHBondContact O-N 3Å; N77-A79 PolarHBondContact OD1-N 3.37Å; N77-S80 PolarHBondContact O-N 3.29Å; N77-S80 WeakPolarHBondContact OD1-CB 3.08Å; N77-S80 PolarHBondContact OD1-N 2.96Å; N77-C81 PolarHBondContact O-N 3.16Å; N77-C81 VanDerWaalsContact O-N 3.14Å; N77-M379 VanDerWaalsContact C-CE 3.49Å
78	L	89.4	Confident	90	Very high	62 Å²	62	33.4 Å²	33.4	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-35.7	-174.9	-170.9	63.6	0	0	0	112.4	C81 K82 M379 L382	L78-C81 PolarHBondContact O-N 2.78Å; L78-K82 HydrophobicContact CG-CD 4.13Å; L78-K82 WeakPolarHBondContact O-CB 3.19Å; L78-K82 WeakPolarHBondContact O-CG 3.42Å; L78-K82 PolarHBondContact O-N 3.21Å; L78-M379 HydrophobicContact CD1-CB 4.38Å; L78-L382 HydrophobicContact CD1-CD1 3.39Å
79	A	86	Confident	89.9	Confident	66 Å²	66	36.5 Å²	36.5	55%	0.545	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-45.4	178.9	0	0	0	0	0	112	N77 C81 K82 R83	N77-A79 VanDerWaalsContact C-N 3.28Å; N77-A79 PolarHBondContact O-N 3Å; N77-A79 PolarHBondContact OD1-N 3.37Å; A79-C81 PolarHBondContact O-N 3.01Å; A79-K82 PolarHBondContact O-N 3.38Å; A79-R83 VanDerWaalsContact O-CB 3.32Å; A79-R83 WeakPolarHBondContact O-CB 3.29Å; A79-R83 PolarHBondContact O-N 3.34Å
80	S	86.1	Confident	90	Very high	31 Å²	31	35.1 Å²	35.1	22%	0.217	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-46.3	175.2	-174.1	0	0	0	0	111.4	N77 K82 R83 V84	N77-S80 PolarHBondContact O-N 3.29Å; N77-S80 WeakPolarHBondContact OD1-CB 3.08Å; N77-S80 PolarHBondContact OD1-N 2.96Å; S80-K82 PolarHBondContact O-N 3.05Å; S80-R83 WeakPolarHBondContact O-CB 3.35Å; S80-R83 PolarHBondContact O-N 2.96Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.4Å
81	C	90.1	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-46.6	179.9	-171.2	0	0	0	0	112.2	V74 F75 N77 L78 A79 R83 V84 F85 L382	V74-C81 WeakPolarHBondContact O-CA 3.12Å; V74-C81 VanDerWaalsContact O-CB 3.27Å; V74-C81 WeakPolarHBondContact O-CB 3.4Å; V74-C81 PolarHBondContact O-N 3.45Å; F75-C81 HydrophobicContact CD1-CB 4.49Å; N77-C81 PolarHBondContact O-N 3.16Å; N77-C81 VanDerWaalsContact O-N 3.14Å; L78-C81 PolarHBondContact O-N 2.78Å; A79-C81 PolarHBondContact O-N 3.01Å; C81-R83 VanDerWaalsContact C-N 3.32Å; C81-R83 PolarHBondContact O-N 2.84Å; C81-V84 PolarHBondContact O-N 3.1Å; C81-F85 PolarHBondContact O-N 3.33Å; C81-L382 HydrophobicContact CB-CD1 4.23Å; C81-L382 VanDerWaalsContact SG-CB 3.52Å
82	K	89.8	Confident	90.5	Very high	35 Å²	35	34.6 Å²	34.6	15%	0.152	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-40.4	175.2	-69.9	172.6	174.9	177.6	0	112	L78 A79 S80 R86 L374 S375 L382	L78-K82 HydrophobicContact CG-CD 4.13Å; L78-K82 WeakPolarHBondContact O-CB 3.19Å; L78-K82 WeakPolarHBondContact O-CG 3.42Å; L78-K82 PolarHBondContact O-N 3.21Å; A79-K82 PolarHBondContact O-N 3.38Å; S80-K82 PolarHBondContact O-N 3.05Å; K82-R86 VanDerWaalsContact O-CB 3.26Å; K82-R86 WeakPolarHBondContact O-CB 3.17Å; K82-R86 PolarHBondContact O-N 3.04Å; K82-R86 VanDerWaalsContact O-N 3.07Å; K82-L374 HydrophobicContact CB-CD2 4Å; K82-L374 HydrophobicContact CB-CG 4.31Å; K82-L374 WeakPolarHBondContact CE-O 3.47Å; K82-L374 HydrophobicContact CG-CD2 4.28Å; K82-L374 HydrophobicContact CG-CG 4.04Å; K82-S375 PolarHBondContact NZ-O 3.48Å; K82-L382 HydrophobicContact CG-CD1 3.8Å
83	R	87.7	Confident	90.8	Very high	31 Å²	31	34 Å²	34	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-50.9	177.6	-171.7	-164.8	-173.1	82.4	4.6	111.3	F51 A79 S80 C81 R86 E87 G186 L187 E202	F51-R83 VanDerWaalsContact CE1-CZ 3.43Å; A79-R83 VanDerWaalsContact O-CB 3.32Å; A79-R83 WeakPolarHBondContact O-CB 3.29Å; A79-R83 PolarHBondContact O-N 3.34Å; S80-R83 WeakPolarHBondContact O-CB 3.35Å; S80-R83 PolarHBondContact O-N 2.96Å; C81-R83 VanDerWaalsContact C-N 3.32Å; C81-R83 PolarHBondContact O-N 2.84Å; R83-R86 PolarHBondContact O-N 3.29Å; R83-E87 WeakPolarHBondContact O-CB 3.39Å; R83-E87 PolarHBondContact O-N 2.75Å; R83-G186 WeakPolarHBondContact CG-O 3.31Å; R83-G186 PolarHBondContact NE-O 3.08Å; R83-G186 PolarHBondContact NH1-O 3.17Å; R83-G186 PolarHBondContact NH2-O 3.2Å; R83-L187 VanDerWaalsContact NH2-N 3.14Å; R83-E202 IonicContact CZ-OE2 3.65Å; R83-E202 IonicContact NH1-OE2 3.71Å; R83-E202 PolarHBondContact NH1-OE2 2.77Å
84	V	90.2	Very high	91.3	Very high	12 Å²	12	29.4 Å²	29.4	7%	0.073	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-45.3	179.6	170.4	0	0	0	0	110.9	M71 V74 S80 C81 R86 E87 I88 I117	M71-V84 HydrophobicContact SD-CG1 3.9Å; V74-V84 HydrophobicContact CG1-CB 4.11Å; V74-V84 HydrophobicContact CG1-CG1 3.92Å; V74-V84 HydrophobicContact CG1-CG2 4.41Å; V74-V84 HydrophobicContact CG2-CG1 4.04Å; V74-V84 HydrophobicContact CG2-CG2 4.31Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.4Å; C81-V84 PolarHBondContact O-N 3.1Å; V84-R86 VanDerWaalsContact C-N 3.33Å; V84-R86 PolarHBondContact O-N 2.82Å; V84-E87 PolarHBondContact O-N 3.38Å; V84-I88 PolarHBondContact O-N 3Å; V84-I117 HydrophobicContact CG1-CD1 3.77Å
85	F	93.1	Very high	91.6	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-42.5	-179.2	-170.4	-162.1	0	0	0	112.1	C81 I88 R89 W370 L374 L382 R385 I386 F389	C81-F85 PolarHBondContact O-N 3.33Å; F85-I88 HydrophobicContact CD2-CD1 4.06Å; F85-I88 HydrophobicContact CD2-CG1 4.07Å; F85-I88 VanDerWaalsContact O-CG1 3.26Å; F85-I88 WeakPolarHBondContact O-CG1 3.35Å; F85-R89 WeakPolarHBondContact O-CB 3.28Å; F85-R89 PolarHBondContact O-N 3.43Å; F85-W370 HydrophobicContact CD1-CH2 4.4Å; F85-W370 AromaticContact CD1-CZ2 3.96Å; F85-W370 HydrophobicContact CD1-CZ2 3.96Å; F85-W370 AromaticContact CE1-CZ2 3.77Å; F85-W370 HydrophobicContact CE1-CZ2 3.77Å; F85-W370 HydrophobicContact CG-CZ2 4.41Å; F85-W370 HydrophobicContact CZ-CZ2 4.08Å; F85-L374 HydrophobicContact CD1-CD1 3.59Å; F85-L374 HydrophobicContact CE1-CD1 4.21Å; F85-L382 HydrophobicContact CD1-CD2 4.03Å; F85-R385 HydrophobicContact CE1-CB 4.06Å; F85-R385 HydrophobicContact CZ-CB 4.25Å; F85-I386 HydrophobicContact CB-CD1 4.02Å; F85-I386 HydrophobicContact CB-CG1 3.83Å; F85-I386 HydrophobicContact CD1-CG1 4.15Å; F85-I386 HydrophobicContact CD2-CG1 3.8Å; F85-I386 HydrophobicContact CE2-CG1 4.4Å; F85-I386 HydrophobicContact CG-CD1 4.37Å; F85-I386 HydrophobicContact CG-CG1 3.67Å; F85-F389 HydrophobicContact CE2-CB 3.98Å; F85-F389 HydrophobicContact CE2-CD1 4.24Å; F85-F389 HydrophobicContact CE2-CD2 4.31Å; F85-F389 AromaticContact CE2-CG 3.91Å; F85-F389 HydrophobicContact CE2-CG 3.91Å; F85-F389 HydrophobicContact CZ-CB 4.47Å
86	R	92.1	Very high	91.8	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-48	174.5	-175.5	-161.4	-39.8	-113.4	-9.2	111.8	K82 R83 V84 R89 M90 A188 W370 E371	K82-R86 VanDerWaalsContact O-CB 3.26Å; K82-R86 WeakPolarHBondContact O-CB 3.17Å; K82-R86 PolarHBondContact O-N 3.04Å; K82-R86 VanDerWaalsContact O-N 3.07Å; R83-R86 PolarHBondContact O-N 3.29Å; V84-R86 VanDerWaalsContact C-N 3.33Å; V84-R86 PolarHBondContact O-N 2.82Å; R86-R89 PolarHBondContact O-N 3Å; R86-M90 HydrophobicContact CG-CE 3.7Å; R86-M90 HydrophobicContact CG-SD 4.04Å; R86-M90 WeakPolarHBondContact O-CB 3.33Å; R86-M90 VanDerWaalsContact O-CG 3.28Å; R86-M90 WeakPolarHBondContact O-CG 3.2Å; R86-M90 PolarHBondContact O-N 2.85Å; R86-A188 WeakPolarHBondContact CD-O 3.47Å; R86-W370 HydrophobicContact CB-CH2 4.44Å; R86-W370 HydrophobicContact CB-CZ3 4.49Å; R86-W370 HydrophobicContact CG-CZ3 4.49Å; R86-E371 IonicContact CZ-OE1 2.7Å; R86-E371 IonicContact CZ-OE2 2.73Å; R86-E371 VanDerWaalsContact CZ-OE2 3.31Å; R86-E371 IonicContact NE-OE2 3.31Å; R86-E371 IonicContact NH1-OE1 2.7Å; R86-E371 PolarHBondContact NH1-OE1 3.44Å; R86-E371 IonicContact NH1-OE2 2.75Å; R86-E371 PolarHBondContact NH1-OE2 2.93Å; R86-E371 IonicContact NH2-OE1 3.78Å; R86-E371 PolarHBondContact NH2-OE1 3.21Å; R86-E371 IonicContact NH2-OE2 3.19Å
87	E	92.6	Very high	92.2	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-48.5	-179.8	-177.2	175.7	173.4	0	0	111.6	K69 M71 R83 V84 R89 M90 L91 F185	K69-E87 IonicContact NZ-OE1 3.88Å; K69-E87 PolarHBondContact NZ-OE1 3Å; K69-E87 IonicContact NZ-OE2 3.8Å; M71-E87 HydrophobicContact CE-CG 4.13Å; R83-E87 WeakPolarHBondContact O-CB 3.39Å; R83-E87 PolarHBondContact O-N 2.75Å; V84-E87 PolarHBondContact O-N 3.38Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.24Å; E87-M90 PolarHBondContact O-N 3.48Å; E87-L91 HydrophobicContact CG-CD1 3.87Å; E87-L91 HydrophobicContact CG-CG 4.36Å; E87-L91 WeakPolarHBondContact O-CB 3.19Å; E87-L91 WeakPolarHBondContact O-CG 3.5Å; E87-L91 PolarHBondContact O-N 3.1Å; E87-F185 HydrophobicContact CG-CB 4.32Å
88	I	93.5	Very high	92.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-37.5	179.3	66.9	178.3	0	0	0	111.8	M71 V84 F85 C92 I105 I117 V119 I386 F389	M71-I88 HydrophobicContact CE-CG2 4.09Å; M71-I88 HydrophobicContact SD-CG2 3.83Å; V84-I88 PolarHBondContact O-N 3Å; F85-I88 HydrophobicContact CD2-CD1 4.06Å; F85-I88 HydrophobicContact CD2-CG1 4.07Å; F85-I88 VanDerWaalsContact O-CG1 3.26Å; F85-I88 WeakPolarHBondContact O-CG1 3.35Å; I88-C92 WeakPolarHBondContact O-CB 2.95Å; I88-C92 PolarHBondContact O-N 3.27Å; I88-C92 PolarHBondContact O-SG 3.35Å; I88-I105 HydrophobicContact CB-CD1 4.16Å; I88-I105 HydrophobicContact CD1-CD1 4.5Å; I88-I117 HydrophobicContact CD1-CD1 4.4Å; I88-V119 HydrophobicContact CG2-CG2 3.94Å; I88-I386 HydrophobicContact CD1-CG2 4.31Å; I88-F389 HydrophobicContact CB-CE1 4.48Å; I88-F389 HydrophobicContact CD1-CD1 3.88Å; I88-F389 HydrophobicContact CD1-CE1 4.09Å; I88-F389 HydrophobicContact CG1-CD1 4.25Å; I88-F389 HydrophobicContact CG1-CE1 3.99Å
89	R	93.6	Very high	93.1	Very high	66 Å²	66	26 Å²	26	25%	0.249	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177.4	-169.6	-178.5	-179.2	-139.4	5.5	111.2	F85 R86 E87 C92 S93 F366 F389	F85-R89 WeakPolarHBondContact O-CB 3.28Å; F85-R89 PolarHBondContact O-N 3.43Å; R86-R89 PolarHBondContact O-N 3Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.24Å; R89-C92 PolarHBondContact O-N 2.88Å; R89-S93 PolarHBondContact O-N 3.28Å; R89-F366 HydrophobicContact CG-CE1 4.14Å; R89-F389 HydrophobicContact CB-CZ 4.44Å; R89-F389 HydrophobicContact CG-CE2 4.4Å
90	M	94.4	Very high	93.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-57.2	174.8	-75.2	-179.4	175.1	0	0	111.3	R86 E87 C92 S93 F94 I162 F185 A188 I190 F366	R86-M90 HydrophobicContact CG-CE 3.7Å; R86-M90 HydrophobicContact CG-SD 4.04Å; R86-M90 WeakPolarHBondContact O-CB 3.33Å; R86-M90 VanDerWaalsContact O-CG 3.28Å; R86-M90 WeakPolarHBondContact O-CG 3.2Å; R86-M90 PolarHBondContact O-N 2.85Å; E87-M90 PolarHBondContact O-N 3.48Å; M90-C92 PolarHBondContact O-N 3.16Å; M90-C92 VanDerWaalsContact O-N 3.12Å; M90-S93 WeakPolarHBondContact O-CB 3.48Å; M90-S93 PolarHBondContact O-N 3.04Å; M90-S93 PolarHBondContact O-OG 3.03Å; M90-F94 HydrophobicContact CB-CE1 4.33Å; M90-F94 HydrophobicContact CB-CE2 3.95Å; M90-F94 HydrophobicContact CB-CZ 3.61Å; M90-F94 HydrophobicContact CG-CZ 4.3Å; M90-F94 WeakPolarHBondContact O-CD1 3.2Å; M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 WeakPolarHBondContact O-CE2 3.5Å; M90-F94 VanDerWaalsContact O-CG 3.29Å; M90-F94 WeakPolarHBondContact O-CG 3.43Å; M90-F94 PolarHBondContact O-N 2.81Å; M90-I162 HydrophobicContact CE-CD1 3.96Å; M90-I162 HydrophobicContact CE-CG1 3.87Å; M90-I162 HydrophobicContact CE-CG2 4.14Å; M90-I162 HydrophobicContact CG-CD1 3.88Å; M90-I162 HydrophobicContact SD-CD1 4.05Å; M90-I162 HydrophobicContact SD-CG1 4.49Å; M90-I162 HydrophobicContact SD-CG2 4.23Å; M90-F185 HydrophobicContact SD-CB 4.28Å; M90-A188 HydrophobicContact CE-CB 4.23Å; M90-A188 HydrophobicContact SD-CB 3.73Å; M90-I190 HydrophobicContact CE-CG1 3.85Å; M90-F366 HydrophobicContact CB-CZ 4.49Å; M90-F366 HydrophobicContact CG-CE1 4.08Å; M90-F366 HydrophobicContact CG-CZ 4.07Å
91	L	94.8	Very high	94	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-54.2	-37	179.7	-75.2	171.5	0	0	0	113	M71 E87 S93 L100 C102 V119 F185	M71-L91 HydrophobicContact CE-CD1 4.48Å; E87-L91 HydrophobicContact CG-CD1 3.87Å; E87-L91 HydrophobicContact CG-CG 4.36Å; E87-L91 WeakPolarHBondContact O-CB 3.19Å; E87-L91 WeakPolarHBondContact O-CG 3.5Å; E87-L91 PolarHBondContact O-N 3.1Å; L91-S93 VanDerWaalsContact C-N 3.34Å; L91-L100 VanDerWaalsContact CD2-O 3.31Å; L91-L100 WeakPolarHBondContact CD2-O 3.32Å; L91-C102 HydrophobicContact CB-CB 4.06Å; L91-C102 PolarHBondContact O-N 3.45Å; L91-V119 HydrophobicContact CD1-CG1 4.46Å; L91-F185 HydrophobicContact CD2-CD2 3.57Å; L91-F185 HydrophobicContact CD2-CE2 3.61Å; L91-F185 HydrophobicContact CG-CD2 4.07Å
92	C	94.9	Very high	94.3	Very high	26 Å²	26	24.3 Å²	24.3	18%	0.176	12%	0.119	C	C	.	.	H	α-helix	trans	-74.2	-20.5	179.2	-74.1	0	0	0	0	114.8	I88 R89 M90 C102 F389 R393	I88-C92 WeakPolarHBondContact O-CB 2.95Å; I88-C92 PolarHBondContact O-N 3.27Å; I88-C92 PolarHBondContact O-SG 3.35Å; R89-C92 PolarHBondContact O-N 2.88Å; M90-C92 PolarHBondContact O-N 3.16Å; M90-C92 VanDerWaalsContact O-N 3.12Å; C92-C102 HydrophobicContact CB-CB 4.47Å; C92-C102 VanDerWaalsContact SG-SG 3.67Å; C92-F389 HydrophobicContact CB-CZ 3.94Å; C92-R393 VanDerWaalsContact CB-NH1 3.31Å; C92-R393 PolarHBondContact SG-NH1 3.33Å; C92-R393 PolarHBondContact SG-NH2 3.2Å; C92-R393 VanDerWaalsContact SG-NH2 3.36Å
93	S	94.6	Very high	94.6	Very high	31 Å²	31	26.1 Å²	26.1	22%	0.217	13%	0.13	C	C	.	.	H	α-helix	trans	-85.3	-28	179.1	72	0	0	0	0	112.8	R89 M90 L91 H362 F366	R89-S93 PolarHBondContact O-N 3.28Å; M90-S93 WeakPolarHBondContact O-CB 3.48Å; M90-S93 PolarHBondContact O-N 3.04Å; M90-S93 PolarHBondContact O-OG 3.03Å; L91-S93 VanDerWaalsContact C-N 3.34Å; S93-H362 PolarHBondContact OG-NE2 3.01Å; S93-F366 VanDerWaalsContact OG-CE2 3.29Å; S93-F366 WeakPolarHBondContact OG-CE2 3.46Å; S93-F366 WeakPolarHBondContact OG-CZ 3.41Å
94	F	96.3	Very high	94.9	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	13%	0.126	C	C	.	.			trans	-71	133.3	-168.3	-58.6	-29.6	0	0	0	113.3	M90 V99 S101 Y156 L157 I162 F185 H362 F366	M90-F94 HydrophobicContact CB-CE1 4.33Å; M90-F94 HydrophobicContact CB-CE2 3.95Å; M90-F94 HydrophobicContact CB-CZ 3.61Å; M90-F94 HydrophobicContact CG-CZ 4.3Å; M90-F94 WeakPolarHBondContact O-CD1 3.2Å; M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 WeakPolarHBondContact O-CE2 3.5Å; M90-F94 VanDerWaalsContact O-CG 3.29Å; M90-F94 WeakPolarHBondContact O-CG 3.43Å; M90-F94 PolarHBondContact O-N 2.81Å; F94-V99 HydrophobicContact CB-CG1 4.14Å; F94-V99 HydrophobicContact CD1-CG1 4.49Å; F94-V99 HydrophobicContact CD2-CG1 3.4Å; F94-V99 HydrophobicContact CE2-CG1 3.82Å; F94-V99 HydrophobicContact CG-CG1 3.77Å; F94-S101 WeakPolarHBondContact O-CB 3.25Å; F94-Y156 HydrophobicContact CB-CE1 4.26Å; F94-Y156 AromaticContact CD1-CE1 3.92Å; F94-Y156 HydrophobicContact CD1-CE1 3.92Å; F94-Y156 HydrophobicContact CG-CE1 4.36Å; F94-L157 HydrophobicContact CE1-CD2 3.81Å; F94-L157 HydrophobicContact CE2-CD2 4.09Å; F94-L157 HydrophobicContact CZ-CD2 3.53Å; F94-I162 HydrophobicContact CE1-CD1 3.61Å; F94-I162 HydrophobicContact CZ-CD1 3.73Å; F94-F185 HydrophobicContact CD2-CE2 4.14Å; F94-F185 HydrophobicContact CD2-CZ 4.19Å; F94-F185 AromaticContact CE2-CD1 3.98Å; F94-F185 HydrophobicContact CE2-CD1 3.98Å; F94-F185 AromaticContact CE2-CD2 3.86Å; F94-F185 HydrophobicContact CE2-CD2 3.86Å; F94-F185 AromaticContact CE2-CE1 3.75Å; F94-F185 HydrophobicContact CE2-CE1 3.75Å; F94-F185 AromaticContact CE2-CE2 3.64Å; F94-F185 HydrophobicContact CE2-CE2 3.64Å; F94-F185 HydrophobicContact CE2-CG 4.04Å; F94-F185 AromaticContact CE2-CZ 3.61Å; F94-F185 HydrophobicContact CE2-CZ 3.61Å; F94-F185 HydrophobicContact CZ-CD1 4.26Å; F94-F185 HydrophobicContact CZ-CE1 4.19Å; F94-F185 HydrophobicContact CZ-CZ 4.47Å; F94-H362 AromaticContact CD1-NE2 3.99Å; F94-F366 HydrophobicContact CE1-CE2 4.42Å
95	K	95.1	Very high	95.2	Very high	178 Å²	178	24.4 Å²	24.4	77%	0.774	12%	0.123	S	C	*	.			trans	-137	71.7	175.4	-64.3	179.9	-176.1	174.1	0	108.9	Y156	K95-Y156 PolarHBondContact N-OH 2.89Å
96	N	96.5	Very high	95.3	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.059	12%	0.121	C	C	.	.			trans	-145.9	142.7	-178.8	-169.8	-75.5	0	0	0	111.3	N98 V99 Y156	N96-N98 PolarHBondContact O-N 2.8Å; N96-N98 WeakPolarHBondContact OD1-CA 3.3Å; N96-N98 PolarHBondContact OD1-N 3.45Å; N96-V99 HydrophobicContact CB-CB 4.16Å; N96-V99 HydrophobicContact CB-CG2 4.15Å; N96-V99 PolarHBondContact O-N 3.3Å; N96-Y156 HydrophobicContact CB-CD1 3.78Å; N96-Y156 HydrophobicContact CB-CD2 3.94Å; N96-Y156 HydrophobicContact CB-CE1 3.8Å; N96-Y156 HydrophobicContact CB-CE2 3.98Å; N96-Y156 HydrophobicContact CB-CG 3.83Å; N96-Y156 VanDerWaalsContact ND2-CD2 3.32Å; N96-Y156 WeakPolarHBondContact ND2-CD2 3.44Å
97	D	97.2	Very high	95.4	Very high	23 Å²	23	24.8 Å²	24.8	12%	0.123	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.8	179.2	-66.4	-29.1	0	0	0	113.3	L179 K181 F336 S342	D97-L179 HydrophobicContact CB-CD1 4.35Å; D97-K181 WeakPolarHBondContact O-CG 3.46Å; D97-K181 PolarHBondContact O-NZ 3.38Å; D97-F336 HydrophobicContact CB-CZ 4.14Å; D97-S342 VanDerWaalsContact OD1-CB 3.27Å; D97-S342 WeakPolarHBondContact OD1-CB 3.41Å; D97-S342 PolarHBondContact OD1-OG 3.48Å; D97-S342 PolarHBondContact OD2-N 3.31Å; D97-S342 PolarHBondContact OD2-OG 3.16Å
98	N	98.3	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	10.6	-173.4	-54.7	116.1	0	0	0	114.4	N96 Q149 R152 L180 I182	N96-N98 PolarHBondContact O-N 2.8Å; N96-N98 WeakPolarHBondContact OD1-CA 3.3Å; N96-N98 PolarHBondContact OD1-N 3.45Å; N98-Q149 WeakPolarHBondContact CB-O 3.49Å; N98-Q149 WeakPolarHBondContact ND2-CB 3.2Å; N98-Q149 WeakPolarHBondContact ND2-CG 3.45Å; N98-Q149 PolarHBondContact ND2-OE1 3.34Å; N98-R152 WeakPolarHBondContact OD1-CD 3.45Å; N98-R152 PolarHBondContact OD1-NH1 3.4Å; N98-L180 VanDerWaalsContact CA-O 3.26Å; N98-L180 WeakPolarHBondContact CA-O 3.2Å; N98-L180 PolarHBondContact ND2-O 2.84Å; N98-I182 WeakPolarHBondContact O-CG1 3.5Å; N98-I182 PolarHBondContact O-N 3.16Å
99	V	97.7	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-129.1	129	174.4	-174.7	0	0	0	0	107.9	F94 N96 S101 Y156 L157 F185	F94-V99 HydrophobicContact CB-CG1 4.14Å; F94-V99 HydrophobicContact CD1-CG1 4.49Å; F94-V99 HydrophobicContact CD2-CG1 3.4Å; F94-V99 HydrophobicContact CE2-CG1 3.82Å; F94-V99 HydrophobicContact CG-CG1 3.77Å; N96-V99 HydrophobicContact CB-CB 4.16Å; N96-V99 HydrophobicContact CB-CG2 4.15Å; N96-V99 PolarHBondContact O-N 3.3Å; V99-S101 PolarHBondContact O-N 3.48Å; V99-Y156 HydrophobicContact CB-CD1 4.48Å; V99-Y156 HydrophobicContact CG2-CD1 3.88Å; V99-L157 HydrophobicContact CG1-CD2 3.91Å; V99-L157 HydrophobicContact CG2-CD2 4.39Å; V99-L157 HydrophobicContact CG2-CG 4.19Å; V99-F185 HydrophobicContact CG1-CE1 4.19Å; V99-F185 HydrophobicContact CG1-CE2 4.32Å; V99-F185 HydrophobicContact CG1-CZ 3.53Å
100	L	96.6	Very high	94.7	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.068	17%	0.171	C	C	.	.			trans	-66	126.6	179.9	-170.8	70.8	0	0	0	109.9	L91 T121 L173 K181 I182 C183	L91-L100 VanDerWaalsContact CD2-O 3.31Å; L91-L100 WeakPolarHBondContact CD2-O 3.32Å; L100-T121 HydrophobicContact CD2-CG2 3.99Å; L100-T121 HydrophobicContact CG-CG2 4.19Å; L100-L173 HydrophobicContact CD1-CD1 4.31Å; L100-L173 HydrophobicContact CD2-CD1 3.96Å; L100-K181 HydrophobicContact CB-CB 4.42Å; L100-K181 HydrophobicContact CD1-CD 4.01Å; L100-I182 WeakPolarHBondContact CB-O 3.23Å; L100-I182 PolarHBondContact N-O 3.42Å; L100-C183 HydrophobicContact CB-CB 4.09Å; L100-C183 HydrophobicContact CD2-CB 3.77Å
101	S	95.7	Very high	94.3	Very high	32 Å²	32	32.7 Å²	32.7	22%	0.224	18%	0.184	C	C	.	.			trans	-108.6	152.2	177.7	58.9	0	0	0	0	111.8	F94 V99	F94-S101 WeakPolarHBondContact O-CB 3.25Å; V99-S101 PolarHBondContact O-N 3.48Å
102	C	95.5	Very high	93.9	Very high	15 Å²	15	41.9 Å²	41.9	10%	0.101	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.3	171.2	-177.9	0	0	0	0	110	L91 C92 D104 V119	L91-C102 HydrophobicContact CB-CB 4.06Å; L91-C102 PolarHBondContact O-N 3.45Å; C92-C102 HydrophobicContact CB-CB 4.47Å; C92-C102 VanDerWaalsContact SG-SG 3.67Å; C102-D104 VanDerWaalsContact SG-C 3.57Å; C102-D104 PolarHBondContact SG-N 2.93Å; C102-D104 PolarHBondContact SG-O 3.45Å; C102-V119 HydrophobicContact CB-CG1 4.38Å
103	L	95.3	Very high	93.6	Very high	74 Å²	74	47 Å²	47	39%	0.387	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-45.9	166.8	-63.8	-179	0	0	0	110.7	V66 L120 T121 P396	V66-L103 HydrophobicContact CB-CD1 4.5Å; V66-L103 HydrophobicContact CG1-CD1 3.85Å; L103-L120 HydrophobicContact CB-CB 4.4Å; L103-L120 WeakPolarHBondContact CB-O 3.45Å; L103-L120 PolarHBondContact N-O 3.19Å; L103-T121 VanDerWaalsContact CD1-C 3.45Å; L103-P396 WeakPolarHBondContact O-CG 3.15Å
104	D	95.8	Very high	93.5	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	164.5	-177.7	-159	7.9	0	0	0	111.7	R61 C102 L120 P396	R61-D104 IonicContact CZ-OD2 2.9Å; R61-D104 IonicContact NH1-OD2 2.64Å; R61-D104 PolarHBondContact NH1-OD2 3.46Å; R61-D104 IonicContact NH2-OD2 2.73Å; R61-D104 PolarHBondContact NH2-OD2 3.11Å; C102-D104 VanDerWaalsContact SG-C 3.57Å; C102-D104 PolarHBondContact SG-N 2.93Å; C102-D104 PolarHBondContact SG-O 3.45Å; D104-L120 HydrophobicContact CB-CB 4.2Å; D104-L120 HydrophobicContact CB-CD1 4.2Å; D104-L120 PolarHBondContact N-O 2.79Å; D104-L120 PolarHBondContact O-N 3.34Å; D104-P396 HydrophobicContact CB-CG 4.19Å; D104-P396 VanDerWaalsContact CG-CD 3.48Å
105	I	95.6	Very high	93.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.7	170.8	-54.1	178.5	0	0	0	107.7	I88 H107 I117 Y118 V119 F389 I390	I88-I105 HydrophobicContact CB-CD1 4.16Å; I88-I105 HydrophobicContact CD1-CD1 4.5Å; I105-H107 PolarHBondContact O-N 3.11Å; I105-I117 HydrophobicContact CG2-CG2 3.71Å; I105-Y118 WeakPolarHBondContact CA-O 3.28Å; I105-Y118 WeakPolarHBondContact CG2-O 3.47Å; I105-V119 HydrophobicContact CG1-CG2 4.45Å; I105-F389 HydrophobicContact CD1-CE1 4.16Å; I105-I390 HydrophobicContact CB-CG2 4.13Å; I105-I390 HydrophobicContact CD1-CG1 4.32Å; I105-I390 HydrophobicContact CG2-CD1 3.96Å; I105-I390 HydrophobicContact CG2-CG1 3.9Å; I105-I390 HydrophobicContact CG2-CG2 3.87Å
106	L	95.3	Very high	93	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-66.8	136.6	179.4	-47.6	-170	0	0	0	109.8	V4 L68 P108 Y118 L120 L401 I403	V4-L106 HydrophobicContact CG1-CD1 4.29Å; V4-L106 HydrophobicContact CG1-CD2 3.95Å; V4-L106 HydrophobicContact CG2-CD1 4.22Å; L68-L106 HydrophobicContact CD1-CD1 3.88Å; L68-L106 HydrophobicContact CD1-CG 4.27Å; L106-P108 WeakPolarHBondContact O-CD 3.25Å; L106-Y118 HydrophobicContact CD1-CG 4.16Å; L106-Y118 PolarHBondContact N-O 3.41Å; L106-L120 HydrophobicContact CD2-CD1 3.85Å; L106-L120 HydrophobicContact CD2-CG 4.08Å; L106-L401 CarbonylContact C-O 3.59Å; L106-L401 WeakPolarHBondContact CA-O 3.39Å; L106-L401 HydrophobicContact CD2-CB 3.46Å; L106-L401 VanDerWaalsContact CD2-CB 3.46Å; L106-L401 HydrophobicContact CD2-CD1 4.29Å; L106-I403 HydrophobicContact CD1-CB 4.41Å; L106-I403 HydrophobicContact CD1-CD1 4.36Å
107	H	94.3	Very high	92.8	Very high	25 Å²	25	42.7 Å²	42.7	12%	0.116	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68.3	124.2	-178.5	-79.6	-146	0	0	0	110.1	I105 L401	I105-H107 PolarHBondContact O-N 3.11Å; H107-L401 PolarHBondContact N-O 2.75Å
108	P	91.9	Very high	92.7	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.065	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.5	137.2	170.5	-17.8	30	0	0	0	109.9	L106 N110 F114 Y387 I390	L106-P108 WeakPolarHBondContact O-CD 3.25Å; P108-N110 PolarHBondContact O-N 2.82Å; P108-F114 HydrophobicContact CB-CB 3.64Å; P108-F114 HydrophobicContact CB-CD1 4.17Å; P108-F114 HydrophobicContact CB-CD2 4.17Å; P108-F114 HydrophobicContact CB-CG 3.76Å; P108-F114 HydrophobicContact CG-CB 4.47Å; P108-F114 HydrophobicContact CG-CD2 4.1Å; P108-F114 HydrophobicContact CG-CE2 4.45Å; P108-F114 HydrophobicContact CG-CG 4.16Å; P108-Y387 HydrophobicContact CB-CD2 4.36Å; P108-Y387 HydrophobicContact CB-CE2 4.38Å; P108-Y387 HydrophobicContact CG-CD2 4.29Å; P108-I390 HydrophobicContact CG-CD1 4.07Å
109	P	85.3	Confident	92.5	Very high	122 Å²	122	42.4 Å²	42.4	79%	0.792	23%	0.225	S	C	*	.	S	Bend	trans	-68.2	-23.4	-175.9	26.4	-34.7	0	0	0	113.2
110	N	87.4	Confident	92.4	Very high	71 Å²	71	42.4 Å²	42.4	38%	0.38	23%	0.225	S	C	.	.			trans	-147.2	128.5	-178.4	-174.6	-60.1	0	0	0	111	P108 R112 L113 F114	P108-N110 PolarHBondContact O-N 2.82Å; N110-R112 PolarHBondContact O-N 2.9Å; N110-R112 PolarHBondContact OD1-N 3.44Å; N110-L113 HydrophobicContact CB-CB 4.19Å; N110-L113 PolarHBondContact O-N 3.37Å; N110-L113 PolarHBondContact OD1-N 2.88Å; N110-F114 WeakPolarHBondContact O-CD1 3.4Å; N110-F114 PolarHBondContact O-N 3.45Å
111	A	87.4	Confident	92.3	Very high	33 Å²	33	42.3 Å²	42.3	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.8	-178.6	0	0	0	0	0	115.1	F114 Y387	A111-F114 WeakPolarHBondContact O-CD1 3.38Å; A111-F114 VanDerWaalsContact O-CE1 3.31Å; A111-F114 WeakPolarHBondContact O-CE1 3.37Å; A111-Y387 VanDerWaalsContact CA-CD2 3.43Å; A111-Y387 VanDerWaalsContact CA-CE2 3.45Å; A111-Y387 HydrophobicContact CB-CD1 3.62Å; A111-Y387 HydrophobicContact CB-CD2 3.78Å; A111-Y387 HydrophobicContact CB-CE1 3.56Å; A111-Y387 HydrophobicContact CB-CE2 3.7Å; A111-Y387 HydrophobicContact CB-CG 3.72Å
112	R	86.1	Confident	92.2	Very high	199 Å²	199	44.2 Å²	44.2	75%	0.751	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-24.4	-173.6	-61.7	-176.1	-179.2	-171.6	0.2	113.5	N110 R383	N110-R112 PolarHBondContact O-N 2.9Å; N110-R112 PolarHBondContact OD1-N 3.44Å; R112-R383 PolarHBondContact O-NH1 3.41Å
113	L	87.7	Confident	92.1	Very high	132 Å²	132	45.6 Å²	45.6	69%	0.691	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-7	-166.7	-60	179	0	0	0	114.8	N110	N110-L113 HydrophobicContact CB-CB 4.19Å; N110-L113 PolarHBondContact O-N 3.37Å; N110-L113 PolarHBondContact OD1-N 2.88Å
114	F	91.6	Very high	92	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	22%	0.222	C	C	.	.			trans	-67.5	139	177.7	77.4	-78.1	0	0	0	111.2	F75 P108 N110 A111 I117 R383 I386 Y387	F75-F114 VanDerWaalsContact CD2-O 3.27Å; F75-F114 WeakPolarHBondContact CD2-O 3.45Å; F75-F114 HydrophobicContact CE2-CD1 4.46Å; F75-F114 AromaticContact CE2-CD2 3.74Å; F75-F114 HydrophobicContact CE2-CD2 3.74Å; F75-F114 HydrophobicContact CE2-CE1 4.27Å; F75-F114 AromaticContact CE2-CE2 3.51Å; F75-F114 HydrophobicContact CE2-CE2 3.51Å; F75-F114 HydrophobicContact CE2-CG 4.23Å; F75-F114 AromaticContact CE2-CZ 3.81Å; F75-F114 HydrophobicContact CE2-CZ 3.81Å; F75-F114 WeakPolarHBondContact CE2-O 3.21Å; F75-F114 HydrophobicContact CZ-CD2 4.14Å; F75-F114 HydrophobicContact CZ-CE1 4.14Å; F75-F114 AromaticContact CZ-CE2 3.42Å; F75-F114 HydrophobicContact CZ-CE2 3.42Å; F75-F114 VanDerWaalsContact CZ-CE2 3.42Å; F75-F114 AromaticContact CZ-CZ 3.43Å; F75-F114 HydrophobicContact CZ-CZ 3.43Å; F75-F114 VanDerWaalsContact CZ-CZ 3.43Å; P108-F114 HydrophobicContact CB-CB 3.64Å; P108-F114 HydrophobicContact CB-CD1 4.17Å; P108-F114 HydrophobicContact CB-CD2 4.17Å; P108-F114 HydrophobicContact CB-CG 3.76Å; P108-F114 HydrophobicContact CG-CB 4.47Å; P108-F114 HydrophobicContact CG-CD2 4.1Å; P108-F114 HydrophobicContact CG-CE2 4.45Å; P108-F114 HydrophobicContact CG-CG 4.16Å; N110-F114 WeakPolarHBondContact O-CD1 3.4Å; N110-F114 PolarHBondContact O-N 3.45Å; A111-F114 WeakPolarHBondContact O-CD1 3.38Å; A111-F114 VanDerWaalsContact O-CE1 3.31Å; A111-F114 WeakPolarHBondContact O-CE1 3.37Å; F114-I117 HydrophobicContact CD2-CG1 4.32Å; F114-I117 HydrophobicContact CE2-CD1 4.29Å; F114-I117 HydrophobicContact CE2-CG1 4.11Å; F114-R383 HydrophobicContact CD1-CG 4.47Å; F114-R383 HydrophobicContact CE1-CG 3.6Å; F114-R383 HydrophobicContact CZ-CG 3.94Å; F114-I386 HydrophobicContact CE2-CG2 3.96Å; F114-I386 HydrophobicContact CZ-CB 4.41Å; F114-I386 HydrophobicContact CZ-CG2 3.95Å; F114-Y387 HydrophobicContact CD1-CD2 4.45Å; F114-Y387 HydrophobicContact CE1-CD2 4.14Å; F114-Y387 HydrophobicContact CE1-CG 4.48Å
115	V	90.5	Very high	91.6	Very high	83 Å²	83	48.3 Å²	48.3	50%	0.503	25%	0.247	S	C	.	.			trans	-120.5	-7	-179.9	-64.1	0	0	0	0	112.9	N73 V74	N73-V115 PolarHBondContact N-O 3.19Å; N73-V115 VanDerWaalsContact N-O 3.14Å; V74-V115 PolarHBondContact N-O 2.94Å
116	E	90.9	Very high	91.4	Very high	39 Å²	39	49.5 Å²	49.5	18%	0.182	26%	0.256	C	S	.	.			trans	-145.9	157.5	-174.5	62.5	-171.3	178	0	0	110.7	R70 M71 Y118	R70-E116 IonicContact CZ-OE2 2.97Å; R70-E116 IonicContact NE-OE2 2.86Å; R70-E116 PolarHBondContact NE-OE2 3.04Å; R70-E116 IonicContact NH2-OE2 3.42Å; R70-E116 PolarHBondContact NH2-OE2 3.15Å; M71-E116 WeakPolarHBondContact O-CA 3.39Å; M71-E116 WeakPolarHBondContact O-CB 3.47Å; E116-Y118 HydrophobicContact CG-CE2 3.85Å; E116-Y118 PolarHBondContact OE1-OH 3.35Å; E116-Y118 PolarHBondContact OE2-OH 3.37Å
117	I	93.2	Very high	91.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.3	179.5	-65.1	167.3	0	0	0	108.8	M71 V74 V84 I88 I105 F114 V119 I386 I390	M71-I117 HydrophobicContact CB-CB 4.38Å; M71-I117 PolarHBondContact N-O 3.14Å; M71-I117 PolarHBondContact O-N 2.77Å; V74-I117 HydrophobicContact CG1-CD1 4.16Å; V74-I117 HydrophobicContact CG2-CB 4.49Å; V74-I117 HydrophobicContact CG2-CD1 4.07Å; V74-I117 HydrophobicContact CG2-CG1 4.09Å; V84-I117 HydrophobicContact CG1-CD1 3.77Å; I88-I117 HydrophobicContact CD1-CD1 4.4Å; I105-I117 HydrophobicContact CG2-CG2 3.71Å; F114-I117 HydrophobicContact CD2-CG1 4.32Å; F114-I117 HydrophobicContact CE2-CD1 4.29Å; F114-I117 HydrophobicContact CE2-CG1 4.11Å; I117-V119 HydrophobicContact CG2-CG2 4.15Å; I117-I386 HydrophobicContact CD1-CG2 3.53Å; I117-I390 HydrophobicContact CD1-CD1 4.23Å; I117-I390 HydrophobicContact CG1-CD1 4.23Å; I117-I390 HydrophobicContact CG2-CD1 4.24Å
118	Y	93.9	Very high	91.3	Very high	14 Å²	14	49 Å²	49	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114	-176.5	-66.3	-70.9	0	0	0	110	L68 K69 R70 I105 L106 E116 I403 F413	L68-Y118 HydrophobicContact CD1-CD1 4.38Å; K69-Y118 WeakPolarHBondContact O-CA 3.45Å; R70-Y118 HydrophobicContact CB-CD1 4.08Å; R70-Y118 HydrophobicContact CB-CE1 3.91Å; R70-Y118 HydrophobicContact CG-CD1 4.16Å; R70-Y118 HydrophobicContact CG-CE1 3.59Å; I105-Y118 WeakPolarHBondContact CA-O 3.28Å; I105-Y118 WeakPolarHBondContact CG2-O 3.47Å; L106-Y118 HydrophobicContact CD1-CG 4.16Å; L106-Y118 PolarHBondContact N-O 3.41Å; E116-Y118 HydrophobicContact CG-CE2 3.85Å; E116-Y118 PolarHBondContact OE1-OH 3.35Å; E116-Y118 PolarHBondContact OE2-OH 3.37Å; Y118-I403 HydrophobicContact CD2-CB 4.4Å; Y118-I403 HydrophobicContact CE1-CD1 4.33Å; Y118-I403 HydrophobicContact CE2-CB 4.1Å; Y118-I403 HydrophobicContact CE2-CG1 4.38Å; Y118-I403 HydrophobicContact CE2-CG2 4.06Å; Y118-F413 HydrophobicContact CD1-CE1 4.04Å; Y118-F413 AromaticContact CD1-CZ 3.76Å; Y118-F413 HydrophobicContact CD1-CZ 3.76Å; Y118-F413 AromaticContact CE1-CE1 3.26Å; Y118-F413 HydrophobicContact CE1-CE1 3.26Å; Y118-F413 AromaticContact CE1-CZ 3.36Å; Y118-F413 HydrophobicContact CE1-CZ 3.36Å; Y118-F413 AromaticContact CZ-CE1 3.91Å
119	V	94.6	Very high	91.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.2	-176.5	-176.2	0	0	0	0	109.4	K69 M71 I88 L91 C102 I105 I117 T121	K69-V119 PolarHBondContact N-O 3.1Å; K69-V119 PolarHBondContact O-N 3.04Å; M71-V119 HydrophobicContact CE-CG2 3.78Å; M71-V119 HydrophobicContact SD-CG2 4.02Å; I88-V119 HydrophobicContact CG2-CG2 3.94Å; L91-V119 HydrophobicContact CD1-CG1 4.46Å; C102-V119 HydrophobicContact CB-CG1 4.38Å; I105-V119 HydrophobicContact CG1-CG2 4.45Å; I117-V119 HydrophobicContact CG2-CG2 4.15Å; V119-T121 HydrophobicContact CG1-CG2 4.18Å
120	L	95.7	Very high	91.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.3	171.8	-70.4	-179.5	0	0	0	110.3	V57 V66 A67 L68 L103 D104 L106 L401	V57-L120 HydrophobicContact CG2-CD2 4Å; V66-L120 HydrophobicContact CG2-CD2 3.75Å; A67-L120 CarbonylContact O-C 3.59Å; A67-L120 VanDerWaalsContact O-CA 3.3Å; A67-L120 WeakPolarHBondContact O-CA 3.32Å; L68-L120 HydrophobicContact CB-CD2 3.96Å; L68-L120 HydrophobicContact CD1-CD2 3.63Å; L68-L120 HydrophobicContact CD1-CG 4.29Å; L68-L120 HydrophobicContact CG-CD2 4.41Å; L103-L120 HydrophobicContact CB-CB 4.4Å; L103-L120 WeakPolarHBondContact CB-O 3.45Å; L103-L120 PolarHBondContact N-O 3.19Å; D104-L120 HydrophobicContact CB-CB 4.2Å; D104-L120 HydrophobicContact CB-CD1 4.2Å; D104-L120 PolarHBondContact N-O 2.79Å; D104-L120 PolarHBondContact O-N 3.34Å; L106-L120 HydrophobicContact CD2-CD1 3.85Å; L106-L120 HydrophobicContact CD2-CG 4.08Å; L120-L401 HydrophobicContact CD1-CD1 3.74Å
121	T	95.4	Very high	92	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	172.9	173.9	67.8	0	0	0	0	110.7	A67 L100 L103 V119	A67-T121 PolarHBondContact N-O 3.38Å; A67-T121 PolarHBondContact O-N 3.21Å; L100-T121 HydrophobicContact CD2-CG2 3.99Å; L100-T121 HydrophobicContact CG-CG2 4.19Å; L103-T121 VanDerWaalsContact CD1-C 3.45Å; V119-T121 HydrophobicContact CG1-CG2 4.18Å
122	E	93	Very high	92.3	Very high	71 Å²	71	47.7 Å²	47.7	33%	0.332	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-56.3	141.1	166.2	-172	179.2	152.8	0	0	110.5	M124 K181	E122-M124 HydrophobicContact CG-SD 4.44Å; E122-K181 WeakPolarHBondContact OE2-CE 3.47Å; E122-K181 IonicContact OE2-NZ 3.58Å
123	L	93.5	Very high	92.6	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.236	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-83.2	116.1	174.9	179.4	62	0	0	0	110.1	I46 K65 A67	I46-L123 HydrophobicContact CD1-CD1 3.27Å; K65-L123 HydrophobicContact CB-CD2 3.82Å; A67-L123 HydrophobicContact CB-CD1 4.13Å
124	M	93.4	Very high	92.8	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.069	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-101.7	140.6	173.4	-56	-65.9	-74.3	0	0	109.9	E122 L173 N175 L179 K181	E122-M124 HydrophobicContact CG-SD 4.44Å; M124-L173 HydrophobicContact CB-CB 3.67Å; M124-L173 HydrophobicContact CB-CD1 4.13Å; M124-L173 HydrophobicContact CB-CG 4.4Å; M124-L173 HydrophobicContact CE-CB 4.15Å; M124-L173 HydrophobicContact CG-CB 3.64Å; M124-L173 HydrophobicContact CG-CD1 3.82Å; M124-L173 HydrophobicContact CG-CG 4.37Å; M124-N175 HydrophobicContact CE-CB 4.02Å; M124-N175 HydrophobicContact SD-CB 4.36Å; M124-L179 WeakPolarHBondContact CE-O 3.32Å; M124-K181 HydrophobicContact CE-CB 4.19Å; M124-K181 HydrophobicContact CE-CD 4.16Å; M124-K181 HydrophobicContact CE-CG 4.1Å; M124-K181 HydrophobicContact SD-CD 3.93Å
125	Q	87.9	Confident	92.9	Very high	121 Å²	121	43.5 Å²	43.5	57%	0.565	23%	0.234	S	C	*	.	S	Bend	trans	-74.4	-33.6	-171.9	-72.2	84	-24.8	0	0	113.1	V174 S176	Q125-V174 PolarHBondContact N-O 3.47Å; Q125-S176 PolarHBondContact NE2-OG 2.98Å
126	S	90.7	Very high	92.9	Very high	28 Å²	28	45.2 Å²	45.2	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-175.6	-175.2	-165.5	0	0	0	0	111.1	K130 L173 V174	S126-K130 WeakPolarHBondContact OG-CB 3.33Å; S126-L173 CarbonylContact O-C 3.47Å; S126-L173 WeakPolarHBondContact O-CA 3.42Å; S126-V174 PolarHBondContact N-O 3.06Å; S126-V174 PolarHBondContact O-N 2.6Å
127	D	93.5	Very high	92.9	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	163.2	167.1	55.2	73.4	0	0	0	109.6	H129 K130 I131 L172 L173	D127-H129 VanDerWaalsContact C-N 3.27Å; D127-H129 PolarHBondContact O-N 3.33Å; D127-H129 WeakPolarHBondContact OD1-CB 3.45Å; D127-H129 PolarHBondContact OD1-N 3.43Å; D127-K130 PolarHBondContact O-N 2.9Å; D127-K130 WeakPolarHBondContact OD1-CG 3.32Å; D127-K130 PolarHBondContact OD1-N 3.34Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 VanDerWaalsContact OD2-CE 3.23Å; D127-K130 WeakPolarHBondContact OD2-CE 3.46Å; D127-K130 IonicContact OD2-NZ 2.8Å; D127-K130 PolarHBondContact OD2-NZ 3.13Å; D127-I131 WeakPolarHBondContact O-CG1 3.46Å; D127-I131 PolarHBondContact O-N 3.43Å; D127-L172 CarbonylContact C-O 3.52Å; D127-L172 VanDerWaalsContact CA-O 3.29Å; D127-L172 WeakPolarHBondContact CA-O 3.42Å; D127-L173 HydrophobicContact CB-CD2 4.35Å
128	L	94.8	Very high	92.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-29	-175.9	-165.2	68.6	0	0	0	112	I131 I132 F146 I150 P169 L172 V174 L180 I232 L236	L128-I131 PolarHBondContact O-N 2.82Å; L128-I132 HydrophobicContact CD2-CD1 4.35Å; L128-I132 HydrophobicContact CG-CD1 3.96Å; L128-I132 HydrophobicContact CG-CG1 4.45Å; L128-I132 WeakPolarHBondContact O-CD1 3.28Å; L128-I132 VanDerWaalsContact O-CG1 3.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.46Å; L128-I132 PolarHBondContact O-N 3.13Å; L128-F146 HydrophobicContact CD1-CD1 4.28Å; L128-F146 HydrophobicContact CD1-CD2 3.9Å; L128-F146 HydrophobicContact CD1-CE1 4.4Å; L128-F146 HydrophobicContact CD1-CE2 4.02Å; L128-F146 HydrophobicContact CD1-CG 4.05Å; L128-F146 HydrophobicContact CD1-CZ 4.28Å; L128-I150 HydrophobicContact CD2-CD1 4.31Å; L128-P169 HydrophobicContact CB-CB 4.15Å; L128-P169 WeakPolarHBondContact CB-O 3.27Å; L128-P169 PolarHBondContact N-O 3.09Å; L128-P169 VanDerWaalsContact N-O 3.16Å; L128-L172 HydrophobicContact CB-CB 3.87Å; L128-L172 HydrophobicContact CD2-CB 4.33Å; L128-L172 HydrophobicContact CD2-CD1 3.6Å; L128-L172 PolarHBondContact N-O 3.02Å; L128-V174 HydrophobicContact CB-CG2 4.32Å; L128-V174 HydrophobicContact CD1-CG2 4.15Å; L128-L180 HydrophobicContact CD2-CD1 4.38Å; L128-I232 HydrophobicContact CD2-CG2 3.89Å; L128-L236 HydrophobicContact CD1-CD2 3.99Å; L128-L236 HydrophobicContact CD2-CD1 4.3Å; L128-L236 HydrophobicContact CD2-CD2 4.12Å; L128-L236 HydrophobicContact CD2-CG 4.46Å; L128-L236 HydrophobicContact CG-CD2 4.15Å
129	H	93.2	Very high	92.9	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-50.8	175.2	179.4	66.5	0	0	0	110.9	D127 I131 I132 V133 P169	D127-H129 VanDerWaalsContact C-N 3.27Å; D127-H129 PolarHBondContact O-N 3.33Å; D127-H129 WeakPolarHBondContact OD1-CB 3.45Å; D127-H129 PolarHBondContact OD1-N 3.43Å; H129-I131 VanDerWaalsContact C-N 3.27Å; H129-I131 PolarHBondContact O-N 3Å; H129-I132 PolarHBondContact O-N 2.89Å; H129-I132 VanDerWaalsContact O-N 3.1Å; H129-V133 WeakPolarHBondContact O-CG2 3.41Å; H129-V133 PolarHBondContact O-N 3.34Å; H129-P169 HydrophobicContact CB-CB 3.8Å; H129-P169 PolarHBondContact N-O 3.38Å
130	K	91.5	Very high	92.9	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-58.7	-39.1	175.4	-73.3	173.8	-171.3	137.7	0	112.1	S126 D127 S134	S126-K130 WeakPolarHBondContact OG-CB 3.33Å; D127-K130 PolarHBondContact O-N 2.9Å; D127-K130 WeakPolarHBondContact OD1-CG 3.32Å; D127-K130 PolarHBondContact OD1-N 3.34Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 VanDerWaalsContact OD2-CE 3.23Å; D127-K130 WeakPolarHBondContact OD2-CE 3.46Å; D127-K130 IonicContact OD2-NZ 2.8Å; D127-K130 PolarHBondContact OD2-NZ 3.13Å; K130-S134 WeakPolarHBondContact O-CB 3.34Å; K130-S134 PolarHBondContact O-N 3.26Å
131	I	92.9	Very high	92.9	Very high	28 Å²	28	55.6 Å²	55.6	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-43.4	175.8	-60.8	-58.3	0	0	0	110.9	D127 L128 H129 S134 L138 R239	D127-I131 WeakPolarHBondContact O-CG1 3.46Å; D127-I131 PolarHBondContact O-N 3.43Å; L128-I131 PolarHBondContact O-N 2.82Å; H129-I131 VanDerWaalsContact C-N 3.27Å; H129-I131 PolarHBondContact O-N 3Å; I131-S134 PolarHBondContact O-N 2.91Å; I131-S134 PolarHBondContact O-OG 3.11Å; I131-L138 HydrophobicContact CG2-CD1 4.31Å; I131-R239 VanDerWaalsContact O-CZ 3.3Å; I131-R239 PolarHBondContact O-NH1 3.09Å; I131-R239 VanDerWaalsContact O-NH1 3.1Å; I131-R239 PolarHBondContact O-NH2 3.3Å
132	I	94	Very high	92.9	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-39.2	179.8	-71.6	160.1	0	0	0	113.2	L128 H129 P169 E235 L236 R239	L128-I132 HydrophobicContact CD2-CD1 4.35Å; L128-I132 HydrophobicContact CG-CD1 3.96Å; L128-I132 HydrophobicContact CG-CG1 4.45Å; L128-I132 WeakPolarHBondContact O-CD1 3.28Å; L128-I132 VanDerWaalsContact O-CG1 3.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.46Å; L128-I132 PolarHBondContact O-N 3.13Å; H129-I132 PolarHBondContact O-N 2.89Å; H129-I132 VanDerWaalsContact O-N 3.1Å; I132-P169 HydrophobicContact CD1-CB 3.88Å; I132-P169 HydrophobicContact CD1-CG 3.91Å; I132-E235 HydrophobicContact CD1-CG 4.01Å; I132-E235 HydrophobicContact CG2-CG 3.81Å; I132-L236 HydrophobicContact CD1-CD2 3.94Å; I132-L236 HydrophobicContact CD1-CG 4.39Å; I132-L236 HydrophobicContact CG1-CD2 3.82Å; I132-R239 VanDerWaalsContact C-CZ 3.44Å; I132-R239 VanDerWaalsContact C-NH2 3.3Å; I132-R239 VanDerWaalsContact CA-CZ 3.48Å; I132-R239 VanDerWaalsContact CA-NH1 3.33Å; I132-R239 PolarHBondContact O-NE 3.34Å; I132-R239 PolarHBondContact O-NH2 3.26Å
133	V	93	Very high	93.2	Very high	95 Å²	95	54.9 Å²	54.9	58%	0.576	30%	0.302	S	S	*	.	H	α-helix	trans	-90	-11.4	-178.4	-56	0	0	0	0	113.2	H129	H129-V133 WeakPolarHBondContact O-CG2 3.41Å; H129-V133 PolarHBondContact O-N 3.34Å
134	S	92.3	Very high	93.4	Very high	28 Å²	28	54.4 Å²	54.4	20%	0.196	30%	0.298	C	S	.	.	S	Bend	trans	-71.7	160.6	178.2	75	0	0	0	0	112.6	K130 I131 Q136 R239	K130-S134 WeakPolarHBondContact O-CB 3.34Å; K130-S134 PolarHBondContact O-N 3.26Å; I131-S134 PolarHBondContact O-N 2.91Å; I131-S134 PolarHBondContact O-OG 3.11Å; S134-Q136 PolarHBondContact O-N 2.99Å; S134-Q136 WeakPolarHBondContact OG-CB 3.27Å; S134-Q136 PolarHBondContact OG-N 3.42Å; S134-R239 PolarHBondContact O-NH2 3.28Å
135	P	93.5	Very high	93.6	Very high	133 Å²	133	54.1 Å²	54.1	86%	0.864	30%	0.297	S	S	*	.	S	Bend	trans	-75.3	0.2	169.7	31.4	-36.4	0	0	0	113.6
136	Q	90.6	Very high	94.1	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	27%	0.271	S	S	*	.	S	Bend	trans	-65.5	134.8	-178.5	-64.2	-176.6	1.3	0	0	110.7	S134 L138	S134-Q136 PolarHBondContact O-N 2.99Å; S134-Q136 WeakPolarHBondContact OG-CB 3.27Å; S134-Q136 PolarHBondContact OG-N 3.42Å; Q136-L138 PolarHBondContact O-N 3.06Å
137	P	91.3	Very high	94.5	Very high	112 Å²	112	47.2 Å²	47.2	73%	0.727	26%	0.262	S	S	*	.			trans	-58.7	128.7	177.7	-25.1	34.1	0	0	0	112.5
138	L	92.4	Very high	94.7	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.131	26%	0.257	C	S	.	.			trans	-112.4	98.2	171.6	-170.3	74	0	0	0	108.7	I131 Q136 H142 V143 F146 L236 R239	I131-L138 HydrophobicContact CG2-CD1 4.31Å; Q136-L138 PolarHBondContact O-N 3.06Å; L138-H142 HydrophobicContact CD1-CB 3.51Å; L138-H142 HydrophobicContact CG-CB 4.21Å; L138-V143 HydrophobicContact CD2-CG2 4.04Å; L138-V143 HydrophobicContact CG-CG2 4.15Å; L138-F146 HydrophobicContact CD1-CD2 4.17Å; L138-F146 HydrophobicContact CD1-CE2 3.79Å; L138-L236 HydrophobicContact CD2-CB 4.25Å; L138-L236 HydrophobicContact CD2-CD2 3.63Å; L138-L236 WeakPolarHBondContact CD2-O 3.33Å; L138-R239 VanDerWaalsContact CB-NH1 3.33Å; L138-R239 VanDerWaalsContact CD2-NH1 3.32Å
139	T	94.5	Very high	94.9	Very high	58 Å²	58	46.3 Å²	46.3	36%	0.356	26%	0.257	S	S	.	.			trans	-75.3	163	-179.4	63.7	0	0	0	0	111.1	D141 H142 V143	T139-D141 PolarHBondContact O-N 3.15Å; T139-H142 PolarHBondContact N-ND1 3.44Å; T139-H142 WeakPolarHBondContact O-CB 3.24Å; T139-H142 PolarHBondContact O-N 3.29Å; T139-H142 PolarHBondContact OG1-N 3.49Å; T139-H142 PolarHBondContact OG1-ND1 3.21Å; T139-V143 PolarHBondContact O-N 3.3Å
140	A	94.3	Very high	95.2	Very high	28 Å²	28	42.6 Å²	42.6	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-53	-38.9	171.7	0	0	0	0	0	112.6	H142 V143 K144 H297	A140-H142 PolarHBondContact O-N 3.39Å; A140-V143 PolarHBondContact O-N 3.04Å; A140-K144 WeakPolarHBondContact O-CG 3.34Å; A140-K144 PolarHBondContact O-N 2.96Å; A140-H297 HydrophobicContact CB-CB 4.21Å
141	D	95.5	Very high	95.5	Very high	53 Å²	53	38 Å²	38	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-42.9	175.9	-76.7	-43.7	0	0	0	112.3	T139 V143 K144 V145 R335	T139-D141 PolarHBondContact O-N 3.15Å; D141-V143 VanDerWaalsContact C-N 3.32Å; D141-V143 PolarHBondContact O-N 2.88Å; D141-K144 PolarHBondContact O-N 2.88Å; D141-V145 WeakPolarHBondContact O-CB 3.43Å; D141-V145 WeakPolarHBondContact O-CG2 3.3Å; D141-V145 PolarHBondContact O-N 3.16Å; D141-R335 VanDerWaalsContact CG-NE 3.32Å; D141-R335 IonicContact OD1-CZ 3.26Å; D141-R335 VanDerWaalsContact OD1-CZ 3.26Å; D141-R335 IonicContact OD1-NE 3.21Å; D141-R335 PolarHBondContact OD1-NE 3.39Å; D141-R335 IonicContact OD1-NH2 2.88Å; D141-R335 PolarHBondContact OD1-NH2 3.41Å; D141-R335 IonicContact OD2-CZ 3.54Å; D141-R335 IonicContact OD2-NE 3.37Å; D141-R335 IonicContact OD2-NH2 2.95Å; D141-R335 PolarHBondContact OD2-NH2 2.77Å
142	H	96.1	Very high	95.8	Very high	65 Å²	65	36.8 Å²	36.8	30%	0.301	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-43.5	175.8	-65.5	152	0	0	0	111.2	L138 T139 A140 V145 F146	L138-H142 HydrophobicContact CD1-CB 3.51Å; L138-H142 HydrophobicContact CG-CB 4.21Å; T139-H142 PolarHBondContact N-ND1 3.44Å; T139-H142 WeakPolarHBondContact O-CB 3.24Å; T139-H142 PolarHBondContact O-N 3.29Å; T139-H142 PolarHBondContact OG1-N 3.49Å; T139-H142 PolarHBondContact OG1-ND1 3.21Å; A140-H142 PolarHBondContact O-N 3.39Å; H142-V145 PolarHBondContact O-N 3.26Å; H142-F146 HydrophobicContact CB-CD2 4.35Å; H142-F146 HydrophobicContact CB-CE2 4.12Å; H142-F146 WeakPolarHBondContact O-CB 3.41Å; H142-F146 WeakPolarHBondContact O-CD2 3.47Å; H142-F146 WeakPolarHBondContact O-CG 3.37Å; H142-F146 PolarHBondContact O-N 3.48Å
143	V	97.4	Very high	96	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-50.1	178.4	-178.1	0	0	0	0	110.8	L138 T139 A140 D141 V145 F146 I147 F233 L236 L237	L138-V143 HydrophobicContact CD2-CG2 4.04Å; L138-V143 HydrophobicContact CG-CG2 4.15Å; T139-V143 PolarHBondContact O-N 3.3Å; A140-V143 PolarHBondContact O-N 3.04Å; D141-V143 VanDerWaalsContact C-N 3.32Å; D141-V143 PolarHBondContact O-N 2.88Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 3.36Å; V143-F146 PolarHBondContact O-N 3.12Å; V143-I147 HydrophobicContact CG1-CG1 4.35Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 3.21Å; V143-F233 HydrophobicContact CG1-CD2 3.83Å; V143-F233 HydrophobicContact CG1-CE2 3.67Å; V143-L236 HydrophobicContact CG1-CB 3.96Å; V143-L236 HydrophobicContact CG1-CD1 4.48Å; V143-L236 HydrophobicContact CG2-CB 4.18Å; V143-L237 HydrophobicContact CG1-CD2 4.03Å; V143-L237 HydrophobicContact CG1-CG 4.34Å
144	K	98.1	Very high	96.3	Very high	35 Å²	35	32 Å²	32	15%	0.152	19%	0.185	C	C	.	.	H	α-helix	trans	-56.9	-46.5	178	-68.4	-179.1	-174.1	-174.1	0	111.8	A140 D141 Y148 Y328 E331	A140-K144 WeakPolarHBondContact O-CG 3.34Å; A140-K144 PolarHBondContact O-N 2.96Å; D141-K144 PolarHBondContact O-N 2.88Å; K144-Y148 VanDerWaalsContact O-CB 3.28Å; K144-Y148 WeakPolarHBondContact O-CB 3.5Å; K144-Y148 PolarHBondContact O-N 2.82Å; K144-Y328 HydrophobicContact CG-CD1 4.49Å; K144-Y328 HydrophobicContact CG-CE1 3.86Å; K144-Y328 HydrophobicContact CG-CE2 4.14Å; K144-E331 HydrophobicContact CD-CB 4.17Å; K144-E331 IonicContact NZ-OE1 3.24Å; K144-E331 IonicContact NZ-OE2 2.76Å; K144-E331 PolarHBondContact NZ-OE2 3.01Å
145	V	97.8	Very high	96.5	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-39.3	-179.3	170.2	0	0	0	0	111.9	D141 H142 V143 Q149 R335 M340	D141-V145 WeakPolarHBondContact O-CB 3.43Å; D141-V145 WeakPolarHBondContact O-CG2 3.3Å; D141-V145 PolarHBondContact O-N 3.16Å; H142-V145 PolarHBondContact O-N 3.26Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 3.36Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.33Å; V145-Q149 WeakPolarHBondContact O-CB 3.46Å; V145-Q149 VanDerWaalsContact O-CG 3.25Å; V145-Q149 WeakPolarHBondContact O-CG 3.27Å; V145-Q149 PolarHBondContact O-N 3.38Å; V145-Q149 VanDerWaalsContact O-N 3.11Å; V145-Q149 PolarHBondContact O-NE2 3.05Å; V145-R335 HydrophobicContact CG2-CB 3.81Å; V145-M340 HydrophobicContact CG1-CE 4.21Å; V145-M340 HydrophobicContact CG1-SD 3.95Å
146	F	98.3	Very high	96.8	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.022	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-46.9	176.6	-71.4	-46	0	0	0	112.3	L128 L138 H142 V143 Y148 Q149 I150 V174 C178 L180 L236	L128-F146 HydrophobicContact CD1-CD1 4.28Å; L128-F146 HydrophobicContact CD1-CD2 3.9Å; L128-F146 HydrophobicContact CD1-CE1 4.4Å; L128-F146 HydrophobicContact CD1-CE2 4.02Å; L128-F146 HydrophobicContact CD1-CG 4.05Å; L128-F146 HydrophobicContact CD1-CZ 4.28Å; L138-F146 HydrophobicContact CD1-CD2 4.17Å; L138-F146 HydrophobicContact CD1-CE2 3.79Å; H142-F146 HydrophobicContact CB-CD2 4.35Å; H142-F146 HydrophobicContact CB-CE2 4.12Å; H142-F146 WeakPolarHBondContact O-CB 3.41Å; H142-F146 WeakPolarHBondContact O-CD2 3.47Å; H142-F146 WeakPolarHBondContact O-CG 3.37Å; H142-F146 PolarHBondContact O-N 3.48Å; V143-F146 PolarHBondContact O-N 3.12Å; F146-Y148 VanDerWaalsContact C-N 3.32Å; F146-Y148 PolarHBondContact O-N 3.21Å; F146-Q149 PolarHBondContact O-N 3.21Å; F146-I150 WeakPolarHBondContact O-CD1 3.49Å; F146-I150 WeakPolarHBondContact O-CG1 3.48Å; F146-I150 PolarHBondContact O-N 2.91Å; F146-V174 HydrophobicContact CE1-CG1 3.87Å; F146-V174 HydrophobicContact CE1-CG2 4.14Å; F146-V174 HydrophobicContact CZ-CG1 4.06Å; F146-C178 HydrophobicContact CE1-CB 4.03Å; F146-C178 HydrophobicContact CZ-CB 4.11Å; F146-L180 HydrophobicContact CB-CD1 4.39Å; F146-L180 HydrophobicContact CD1-CB 4.2Å; F146-L180 HydrophobicContact CD1-CD1 3.81Å; F146-L180 HydrophobicContact CG-CD1 4.42Å; F146-L236 HydrophobicContact CB-CD1 4.12Å; F146-L236 HydrophobicContact CD2-CD2 4.43Å
147	I	98.7	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-42.5	177.9	-65.2	-52.8	0	0	0	111.5	V143 Q149 I150 L151 F233 L236 L329	V143-I147 HydrophobicContact CG1-CG1 4.35Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 3.21Å; I147-Q149 PolarHBondContact O-N 3.48Å; I147-I150 HydrophobicContact CD1-CD1 4.17Å; I147-I150 PolarHBondContact O-N 3.26Å; I147-L151 HydrophobicContact CG2-CD1 3.79Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CG 3.29Å; I147-L151 PolarHBondContact O-N 2.92Å; I147-F233 HydrophobicContact CD1-CB 3.57Å; I147-F233 HydrophobicContact CD1-CD2 4.01Å; I147-F233 HydrophobicContact CD1-CG 3.9Å; I147-F233 HydrophobicContact CG1-CB 4.11Å; I147-F233 HydrophobicContact CG1-CD2 3.6Å; I147-F233 HydrophobicContact CG1-CE2 4.18Å; I147-F233 HydrophobicContact CG1-CG 3.85Å; I147-L236 HydrophobicContact CD1-CD1 3.71Å; I147-L236 HydrophobicContact CG1-CD1 4.16Å; I147-L329 HydrophobicContact CB-CD2 4.11Å; I147-L329 HydrophobicContact CG2-CD2 3.71Å
148	Y	98.8	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56	-49.8	174.3	177.9	-101.2	0	0	0	112.1	K144 F146 I150 L151 R152 L324 R333 F336 H337 E359	K144-Y148 VanDerWaalsContact O-CB 3.28Å; K144-Y148 WeakPolarHBondContact O-CB 3.5Å; K144-Y148 PolarHBondContact O-N 2.82Å; F146-Y148 VanDerWaalsContact C-N 3.32Å; F146-Y148 PolarHBondContact O-N 3.21Å; Y148-I150 PolarHBondContact O-N 3.21Å; Y148-L151 PolarHBondContact O-N 2.8Å; Y148-R152 VanDerWaalsContact O-CB 3.25Å; Y148-R152 WeakPolarHBondContact O-CB 3.37Å; Y148-R152 PolarHBondContact O-N 3.03Å; Y148-L324 HydrophobicContact CD2-CD2 3.89Å; Y148-L324 HydrophobicContact CE2-CD2 3.74Å; Y148-R333 HydrophobicContact CD2-CB 3.73Å; Y148-R333 HydrophobicContact CD2-CG 4.27Å; Y148-R333 HydrophobicContact CE1-CB 4.44Å; Y148-R333 HydrophobicContact CE1-CG 4.39Å; Y148-R333 HydrophobicContact CE2-CB 3.5Å; Y148-R333 VanDerWaalsContact CE2-CB 3.5Å; Y148-R333 HydrophobicContact CE2-CG 3.51Å; Y148-R333 HydrophobicContact CG-CB 4.32Å; Y148-F336 HydrophobicContact CD1-CB 3.8Å; Y148-F336 HydrophobicContact CD1-CD1 4.17Å; Y148-F336 HydrophobicContact CD1-CG 4.01Å; Y148-F336 HydrophobicContact CE1-CB 3.9Å; Y148-F336 AromaticContact CE1-CD1 3.56Å; Y148-F336 HydrophobicContact CE1-CD1 3.56Å; Y148-F336 HydrophobicContact CE1-CE1 4.3Å; Y148-F336 AromaticContact CE1-CG 3.87Å; Y148-F336 HydrophobicContact CE1-CG 3.87Å; Y148-H337 AromaticContact CE1-NE2 3.88Å; Y148-H337 AromaticContact CZ-NE2 3.72Å; Y148-H337 PolarHBondContact OH-NE2 3.19Å; Y148-E359 HydrophobicContact CE2-CG 4.46Å; Y148-E359 VanDerWaalsContact CE2-OE1 3.29Å; Y148-E359 WeakPolarHBondContact CE2-OE1 3.39Å; Y148-E359 WeakPolarHBondContact OH-CG 3.35Å; Y148-E359 PolarHBondContact OH-OE1 3.44Å; Y148-E359 VanDerWaalsContact OH-OE1 3.12Å
149	Q	98.7	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-39.4	-179.7	-74.9	-177.9	91.7	0	0	113	N98 V145 F146 I147 R152 G153 C178 L180 F336	N98-Q149 WeakPolarHBondContact CB-O 3.49Å; N98-Q149 WeakPolarHBondContact ND2-CB 3.2Å; N98-Q149 WeakPolarHBondContact ND2-CG 3.45Å; N98-Q149 PolarHBondContact ND2-OE1 3.34Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.33Å; V145-Q149 WeakPolarHBondContact O-CB 3.46Å; V145-Q149 VanDerWaalsContact O-CG 3.25Å; V145-Q149 WeakPolarHBondContact O-CG 3.27Å; V145-Q149 PolarHBondContact O-N 3.38Å; V145-Q149 VanDerWaalsContact O-N 3.11Å; V145-Q149 PolarHBondContact O-NE2 3.05Å; F146-Q149 PolarHBondContact O-N 3.21Å; I147-Q149 PolarHBondContact O-N 3.48Å; Q149-R152 PolarHBondContact O-N 3.33Å; Q149-G153 PolarHBondContact O-N 3.01Å; Q149-C178 PolarHBondContact NE2-O 3.47Å; Q149-L180 HydrophobicContact CB-CB 4.14Å; Q149-L180 HydrophobicContact CB-CD2 4.45Å; Q149-F336 HydrophobicContact CG-CD2 3.5Å; Q149-F336 HydrophobicContact CG-CE2 3.64Å; Q149-F336 HydrophobicContact CG-CG 4.26Å; Q149-F336 HydrophobicContact CG-CZ 4.47Å
150	I	98.8	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.1	-51.7	177	-64	160.4	0	0	0	109.7	L128 F146 I147 Y148 R152 G153 V154 L172 L180 I229 I232	L128-I150 HydrophobicContact CD2-CD1 4.31Å; F146-I150 WeakPolarHBondContact O-CD1 3.49Å; F146-I150 WeakPolarHBondContact O-CG1 3.48Å; F146-I150 PolarHBondContact O-N 2.91Å; I147-I150 HydrophobicContact CD1-CD1 4.17Å; I147-I150 PolarHBondContact O-N 3.26Å; Y148-I150 PolarHBondContact O-N 3.21Å; I150-R152 VanDerWaalsContact C-N 3.32Å; I150-R152 PolarHBondContact O-N 3.23Å; I150-G153 PolarHBondContact O-N 2.91Å; I150-V154 HydrophobicContact CG2-CG2 4.42Å; I150-V154 WeakPolarHBondContact O-CG2 3.39Å; I150-V154 PolarHBondContact O-N 3.35Å; I150-L172 HydrophobicContact CD1-CD1 3.62Å; I150-L172 HydrophobicContact CG1-CD1 3.93Å; I150-L172 HydrophobicContact CG1-CD2 4.26Å; I150-L180 HydrophobicContact CD1-CD1 4.1Å; I150-L180 HydrophobicContact CG1-CD1 3.73Å; I150-L180 HydrophobicContact CG1-CD2 3.8Å; I150-L180 HydrophobicContact CG1-CG 4.46Å; I150-I229 HydrophobicContact CG2-CD1 4.04Å; I150-I229 HydrophobicContact CG2-CG1 3.71Å; I150-I229 HydrophobicContact CG2-CG2 4.21Å; I150-I232 HydrophobicContact CD1-CG2 4.09Å
151	L	98.8	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-40.9	178.6	-71.9	166.7	0	0	0	111.9	I147 Y148 G153 V154 K155 I229 M309 V320 A323 L324 L329	I147-L151 HydrophobicContact CG2-CD1 3.79Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CG 3.29Å; I147-L151 PolarHBondContact O-N 2.92Å; Y148-L151 PolarHBondContact O-N 2.8Å; L151-G153 PolarHBondContact O-N 3.06Å; L151-V154 PolarHBondContact O-N 3.45Å; L151-K155 WeakPolarHBondContact O-CB 3.33Å; L151-K155 PolarHBondContact O-N 3.4Å; L151-I229 HydrophobicContact CD2-CD1 3.79Å; L151-I229 HydrophobicContact CD2-CG2 4.14Å; L151-I229 HydrophobicContact CG-CG2 4.32Å; L151-M309 HydrophobicContact CD1-CE 3.85Å; L151-M309 HydrophobicContact CD2-CE 3.93Å; L151-M309 HydrophobicContact CG-CE 4.34Å; L151-V320 HydrophobicContact CB-CG2 4.24Å; L151-V320 HydrophobicContact CD2-CG2 3.9Å; L151-V320 VanDerWaalsContact O-CG2 3.25Å; L151-V320 WeakPolarHBondContact O-CG2 3.18Å; L151-A323 HydrophobicContact CD1-CB 4.15Å; L151-A323 HydrophobicContact CD2-CB 4.01Å; L151-L324 HydrophobicContact CB-CD1 4.42Å; L151-L324 HydrophobicContact CB-CD2 3.6Å; L151-L324 HydrophobicContact CB-CG 3.78Å; L151-L329 HydrophobicContact CD1-CD1 3.36Å
152	R	98.6	Very high	97.4	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.011	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-42.6	176.4	-177.8	174.4	-178.9	-84.5	2.6	112.1	N98 Y148 Q149 I150 Y156 L324 L358 E359 P360	N98-R152 WeakPolarHBondContact OD1-CD 3.45Å; N98-R152 PolarHBondContact OD1-NH1 3.4Å; Y148-R152 VanDerWaalsContact O-CB 3.25Å; Y148-R152 WeakPolarHBondContact O-CB 3.37Å; Y148-R152 PolarHBondContact O-N 3.03Å; Q149-R152 PolarHBondContact O-N 3.33Å; I150-R152 VanDerWaalsContact C-N 3.32Å; I150-R152 PolarHBondContact O-N 3.23Å; R152-Y156 PolarHBondContact O-N 2.97Å; R152-L324 HydrophobicContact CB-CD2 4.47Å; R152-L358 PolarHBondContact NE-O 3.26Å; R152-L358 PolarHBondContact NH2-O 2.92Å; R152-E359 HydrophobicContact CG-CG 4.3Å; R152-P360 VanDerWaalsContact NH2-CD 3.26Å
153	G	98.5	Very high	97.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.6	-40.4	174.9	0	0	0	0	0	112.6	Q149 I150 L151 Y156 L157	Q149-G153 PolarHBondContact O-N 3.01Å; I150-G153 PolarHBondContact O-N 2.91Å; L151-G153 PolarHBondContact O-N 3.06Å; G153-Y156 WeakPolarHBondContact O-CB 3.44Å; G153-Y156 PolarHBondContact O-N 3Å; G153-L157 WeakPolarHBondContact O-CG 3.32Å; G153-L157 PolarHBondContact O-N 3.13Å; G153-L157 VanDerWaalsContact O-N 3.08Å
154	V	98.5	Very high	97.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-69.2	-39.3	178.3	173.5	0	0	0	0	111.9	I150 L151 Y156 L157 H158 I167 I182 D225 I229 V320	I150-V154 HydrophobicContact CG2-CG2 4.42Å; I150-V154 WeakPolarHBondContact O-CG2 3.39Å; I150-V154 PolarHBondContact O-N 3.35Å; L151-V154 PolarHBondContact O-N 3.45Å; V154-Y156 VanDerWaalsContact C-N 3.26Å; V154-Y156 PolarHBondContact O-N 3.28Å; V154-L157 PolarHBondContact O-N 2.99Å; V154-L157 VanDerWaalsContact O-N 3.15Å; V154-H158 WeakPolarHBondContact CG1-CE1 3.41Å; V154-H158 WeakPolarHBondContact CG1-NE2 3.25Å; V154-H158 WeakPolarHBondContact O-CB 3.37Å; V154-H158 VanDerWaalsContact O-CG 3.32Å; V154-H158 PolarHBondContact O-N 2.93Å; V154-I167 HydrophobicContact CG2-CD1 3.49Å; V154-I167 VanDerWaalsContact CG2-CD1 3.49Å; V154-I182 HydrophobicContact CG2-CD1 3.71Å; V154-D225 HydrophobicContact CG1-CB 4.24Å; V154-I229 HydrophobicContact CB-CD1 4.2Å; V154-I229 HydrophobicContact CG1-CD1 4.24Å; V154-I229 HydrophobicContact CG2-CD1 3.9Å; V154-V320 HydrophobicContact CB-CG2 4.28Å; V154-V320 HydrophobicContact CG1-CG2 4.18Å
155	K	98.3	Very high	96.8	Very high	20 Å²	20	6.9 Å²	6.9	9%	0.087	3%	0.034	C	C	.	.	H	α-helix	trans	-54.6	-45.5	171.1	179.8	-169.1	178.7	-175.4	0	110.9	L151 H158 S159 V320 E321 L324 E357 E359	L151-K155 WeakPolarHBondContact O-CB 3.33Å; L151-K155 PolarHBondContact O-N 3.4Å; K155-H158 PolarHBondContact O-N 3.44Å; K155-S159 WeakPolarHBondContact O-CB 3.49Å; K155-S159 PolarHBondContact O-N 3.22Å; K155-S159 PolarHBondContact O-OG 3.48Å; K155-V320 HydrophobicContact CB-CG1 4.13Å; K155-V320 HydrophobicContact CB-CG2 4.03Å; K155-E321 HydrophobicContact CD-CG 4.29Å; K155-E321 HydrophobicContact CG-CG 4.15Å; K155-L324 HydrophobicContact CB-CD1 3.83Å; K155-L324 HydrophobicContact CD-CD1 3.65Å; K155-L324 HydrophobicContact CG-CD1 4.24Å; K155-E357 IonicContact NZ-OE1 2.77Å; K155-E359 HydrophobicContact CD-CB 3.91Å; K155-E359 WeakPolarHBondContact CE-O 3.41Å; K155-E359 PolarHBondContact NZ-O 2.72Å; K155-E359 IonicContact NZ-OE2 3.95Å
156	Y	98.2	Very high	96.5	Very high	6 Å²	6	7 Å²	7	2%	0.024	3%	0.034	C	C	.	.	H	α-helix	trans	-60.3	-47.3	177.1	179.6	-94.9	0	0	0	111.7	F94 K95 N96 V99 R152 G153 V154 S159 A160 P360 H362	F94-Y156 HydrophobicContact CB-CE1 4.26Å; F94-Y156 AromaticContact CD1-CE1 3.92Å; F94-Y156 HydrophobicContact CD1-CE1 3.92Å; F94-Y156 HydrophobicContact CG-CE1 4.36Å; K95-Y156 PolarHBondContact N-OH 2.89Å; N96-Y156 HydrophobicContact CB-CD1 3.78Å; N96-Y156 HydrophobicContact CB-CD2 3.94Å; N96-Y156 HydrophobicContact CB-CE1 3.8Å; N96-Y156 HydrophobicContact CB-CE2 3.98Å; N96-Y156 HydrophobicContact CB-CG 3.83Å; N96-Y156 VanDerWaalsContact ND2-CD2 3.32Å; N96-Y156 WeakPolarHBondContact ND2-CD2 3.44Å; V99-Y156 HydrophobicContact CB-CD1 4.48Å; V99-Y156 HydrophobicContact CG2-CD1 3.88Å; R152-Y156 PolarHBondContact O-N 2.97Å; G153-Y156 WeakPolarHBondContact O-CB 3.44Å; G153-Y156 PolarHBondContact O-N 3Å; V154-Y156 VanDerWaalsContact C-N 3.26Å; V154-Y156 PolarHBondContact O-N 3.28Å; Y156-S159 PolarHBondContact O-N 2.75Å; Y156-S159 PolarHBondContact O-OG 2.89Å; Y156-A160 PolarHBondContact O-N 2.93Å; Y156-P360 WeakPolarHBondContact CD2-O 3.26Å; Y156-H362 HydrophobicContact CD2-CB 4.24Å; Y156-H362 HydrophobicContact CE1-CB 4.42Å; Y156-H362 AromaticContact CE1-CD2 3.44Å; Y156-H362 VanDerWaalsContact CE1-CD2 3.44Å; Y156-H362 WeakPolarHBondContact CE1-CD2 3.47Å; Y156-H362 VanDerWaalsContact CE2-CA 3.45Å; Y156-H362 HydrophobicContact CE2-CB 3.92Å; Y156-H362 AromaticContact CZ-CD2 3.27Å; Y156-H362 AromaticContact CZ-CG 3.86Å; Y156-H362 PolarHBondContact OH-CD2 2.85Å
157	L	97.5	Very high	96.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.5	-46.7	177.1	-66.3	171.4	0	0	0	112.7	F94 V99 G153 V154 S159 A160 N161 I162 I182 F185	F94-L157 HydrophobicContact CE1-CD2 3.81Å; F94-L157 HydrophobicContact CE2-CD2 4.09Å; F94-L157 HydrophobicContact CZ-CD2 3.53Å; V99-L157 HydrophobicContact CG1-CD2 3.91Å; V99-L157 HydrophobicContact CG2-CD2 4.39Å; V99-L157 HydrophobicContact CG2-CG 4.19Å; G153-L157 WeakPolarHBondContact O-CG 3.32Å; G153-L157 PolarHBondContact O-N 3.13Å; G153-L157 VanDerWaalsContact O-N 3.08Å; V154-L157 PolarHBondContact O-N 2.99Å; V154-L157 VanDerWaalsContact O-N 3.15Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 2.92Å; L157-A160 CarbonylContact O-C 3.59Å; L157-A160 WeakPolarHBondContact O-CA 3.41Å; L157-A160 VanDerWaalsContact O-CB 3.26Å; L157-A160 WeakPolarHBondContact O-CB 3.39Å; L157-A160 PolarHBondContact O-N 2.89Å; L157-N161 PolarHBondContact O-N 2.75Å; L157-I162 CarbonylContact C-O 3.52Å; L157-I162 HydrophobicContact CB-CB 4.4Å; L157-I162 HydrophobicContact CD2-CG2 4.38Å; L157-I162 PolarHBondContact O-N 3.09Å; L157-I182 HydrophobicContact CD1-CD1 4.26Å; L157-I182 HydrophobicContact CD1-CG2 4.39Å; L157-F185 HydrophobicContact CD1-CE1 3.84Å; L157-F185 HydrophobicContact CD2-CD1 4.48Å; L157-F185 HydrophobicContact CD2-CE1 3.77Å; L157-F185 HydrophobicContact CD2-CZ 4.47Å; L157-F185 HydrophobicContact CG-CE1 4.47Å
158	H	96.3	Very high	96.1	Very high	20 Å²	20	8 Å²	8	9%	0.093	4%	0.039	C	C	.	.	H	α-helix	trans	-62.4	-39	179.5	-70.8	-177.7	0	0	0	111.3	V154 K155 A160 N161 I162 A222 D225	V154-H158 WeakPolarHBondContact CG1-CE1 3.41Å; V154-H158 WeakPolarHBondContact CG1-NE2 3.25Å; V154-H158 WeakPolarHBondContact O-CB 3.37Å; V154-H158 VanDerWaalsContact O-CG 3.32Å; V154-H158 PolarHBondContact O-N 2.93Å; K155-H158 PolarHBondContact O-N 3.44Å; H158-A160 PolarHBondContact O-N 3.35Å; H158-N161 PolarHBondContact O-N 3.31Å; H158-I162 PolarHBondContact CD2-O 3.25Å; H158-A222 PolarHBondContact CE1-O 3.24Å; H158-D225 IonicContact CD2-OD2 3.21Å; H158-D225 IonicContact CE1-OD2 3.33Å; H158-D225 IonicContact NE2-OD2 2.63Å; H158-D225 PolarHBondContact NE2-OD2 3.26Å
159	S	95.8	Very high	95.9	Very high	20 Å²	20	8 Å²	8	14%	0.14	4%	0.039	C	C	.	.	H	α-helix	trans	-66.6	-17.7	173	73.1	0	0	0	0	114	K155 Y156 L157 N161 R361 H362	K155-S159 WeakPolarHBondContact O-CB 3.49Å; K155-S159 PolarHBondContact O-N 3.22Å; K155-S159 PolarHBondContact O-OG 3.48Å; Y156-S159 PolarHBondContact O-N 2.75Å; Y156-S159 PolarHBondContact O-OG 2.89Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 2.92Å; S159-N161 VanDerWaalsContact C-N 3.32Å; S159-R361 WeakPolarHBondContact OG-CA 3.33Å; S159-R361 WeakPolarHBondContact OG-CB 3.26Å; S159-H362 PolarHBondContact OG-N 2.99Å
160	A	95.1	Very high	95.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	7.6	173.3	0	0	0	0	0	112.9	Y156 L157 H158 I162 H362 F366	Y156-A160 PolarHBondContact O-N 2.93Å; L157-A160 CarbonylContact O-C 3.59Å; L157-A160 WeakPolarHBondContact O-CA 3.41Å; L157-A160 VanDerWaalsContact O-CB 3.26Å; L157-A160 WeakPolarHBondContact O-CB 3.39Å; L157-A160 PolarHBondContact O-N 2.89Å; H158-A160 PolarHBondContact O-N 3.35Å; A160-I162 VanDerWaalsContact C-N 3.28Å; A160-I162 HydrophobicContact CB-CD1 4.1Å; A160-I162 HydrophobicContact CB-CG1 4.23Å; A160-I162 PolarHBondContact O-N 3.12Å; A160-H362 HydrophobicContact CB-CB 3.48Å; A160-H362 VanDerWaalsContact CB-CB 3.48Å; A160-F366 HydrophobicContact CB-CD2 4.23Å; A160-F366 WeakPolarHBondContact O-CB 3.38Å; A160-F366 PolarHBondContact O-N 2.94Å
161	N	94.1	Very high	95.4	Very high	32 Å²	32	10.2 Å²	10.2	17%	0.171	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	30.8	-170.2	-73.6	-9.6	0	0	0	113.5	L157 H158 S159 I190 W191 P193 A365	L157-N161 PolarHBondContact O-N 2.75Å; H158-N161 PolarHBondContact O-N 3.31Å; S159-N161 VanDerWaalsContact C-N 3.32Å; N161-I190 HydrophobicContact CB-CG2 4.46Å; N161-I190 CarbonylContact O-C 3.5Å; N161-I190 VanDerWaalsContact O-CA 3.23Å; N161-I190 WeakPolarHBondContact O-CA 3.25Å; N161-W191 WeakPolarHBondContact CB-O 3.22Å; N161-W191 PolarHBondContact O-N 2.83Å; N161-P193 WeakPolarHBondContact OD1-CD 3.47Å; N161-P193 WeakPolarHBondContact OD1-CG 3.32Å; N161-A365 HydrophobicContact CB-CB 4.43Å
162	I	94.1	Very high	95.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.2	-179.9	-64.2	173	0	0	0	110.5	M90 F94 L157 H158 A160 A188 R189 F366	M90-I162 HydrophobicContact CE-CD1 3.96Å; M90-I162 HydrophobicContact CE-CG1 3.87Å; M90-I162 HydrophobicContact CE-CG2 4.14Å; M90-I162 HydrophobicContact CG-CD1 3.88Å; M90-I162 HydrophobicContact SD-CD1 4.05Å; M90-I162 HydrophobicContact SD-CG1 4.49Å; M90-I162 HydrophobicContact SD-CG2 4.23Å; F94-I162 HydrophobicContact CE1-CD1 3.61Å; F94-I162 HydrophobicContact CZ-CD1 3.73Å; L157-I162 CarbonylContact C-O 3.52Å; L157-I162 HydrophobicContact CB-CB 4.4Å; L157-I162 HydrophobicContact CD2-CG2 4.38Å; L157-I162 PolarHBondContact O-N 3.09Å; H158-I162 PolarHBondContact CD2-O 3.25Å; A160-I162 VanDerWaalsContact C-N 3.28Å; A160-I162 HydrophobicContact CB-CD1 4.1Å; A160-I162 HydrophobicContact CB-CG1 4.23Å; A160-I162 PolarHBondContact O-N 3.12Å; I162-A188 HydrophobicContact CG2-CB 3.99Å; I162-R189 WeakPolarHBondContact CA-O 3.23Å; I162-F366 HydrophobicContact CD1-CD2 3.59Å; I162-F366 HydrophobicContact CD1-CE2 3.62Å; I162-F366 HydrophobicContact CD1-CG 4.25Å; I162-F366 HydrophobicContact CD1-CZ 4.3Å; I162-F366 HydrophobicContact CG1-CD2 4.06Å; I162-F366 HydrophobicContact CG1-CG 4.42Å
163	L	93.9	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.5	164.5	-57	-173.6	0	0	0	109.5	R165 A188 R189 W191 L199 Y220 A222	L163-R165 HydrophobicContact CB-CG 3.85Å; L163-A188 CarbonylContact O-C 3.41Å; L163-A188 WeakPolarHBondContact O-CA 3.38Å; L163-A188 WeakPolarHBondContact O-CB 3.26Å; L163-R189 PolarHBondContact N-O 3.22Å; L163-R189 PolarHBondContact O-N 3.42Å; L163-W191 HydrophobicContact CD1-CB 3.81Å; L163-W191 HydrophobicContact CD1-CD2 4.37Å; L163-W191 HydrophobicContact CD1-CG 3.86Å; L163-W191 HydrophobicContact CD2-CB 4.45Å; L163-W191 HydrophobicContact CD2-CD2 4.43Å; L163-W191 HydrophobicContact CD2-CE3 4.21Å; L163-W191 HydrophobicContact CG-CB 3.68Å; L163-W191 HydrophobicContact CG-CD2 4.46Å; L163-W191 HydrophobicContact CG-CG 4.09Å; L163-L199 HydrophobicContact CD1-CD1 4.06Å; L163-Y220 HydrophobicContact CD1-CD2 4.37Å; L163-Y220 HydrophobicContact CD1-CE2 4.42Å; L163-A222 VanDerWaalsContact CD2-CA 3.5Å; L163-A222 HydrophobicContact CD2-CB 3.93Å
164	H	93.3	Very high	95	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.			trans	-78	-44.7	-179.1	-170.3	-54.6	0	0	0	111.8	D166 I167 I182 C183 D184 F185 D225	H164-D166 PolarHBondContact ND1-N 3.41Å; H164-D166 PolarHBondContact O-N 3.23Å; H164-D166 VanDerWaalsContact O-N 3.12Å; H164-I167 HydrophobicContact CB-CD1 4.05Å; H164-I167 HydrophobicContact CB-CG1 3.68Å; H164-I182 WeakPolarHBondContact CD2-CG2 3.48Å; H164-I182 WeakPolarHBondContact NE2-CG2 3.38Å; H164-C183 PolarHBondContact NE2-O 3.04Å; H164-D184 PolarHBondContact CE1-O 3.34Å; H164-D184 PolarHBondContact NE2-O 2.87Å; H164-F185 AromaticContact CD2-CE1 3.81Å; H164-D225 PolarHBondContact N-OD2 2.81Å
165	R	91.3	Very high	94.7	Very high	31 Å²	31	13.1 Å²	13.1	12%	0.117	7%	0.074	C	C	.	.	S	Bend	trans	64.9	5	175.8	-46.2	-170.8	-58.4	157.2	8.6	116.8	L163 L187 R189 T200 Y220 D225	L163-R165 HydrophobicContact CB-CG 3.85Å; R165-L187 PolarHBondContact NE-O 2.75Å; R165-L187 PolarHBondContact NH2-O 2.84Å; R165-R189 VanDerWaalsContact NH2-CG 3.33Å; R165-T200 PolarHBondContact NH1-O 2.72Å; R165-Y220 WeakPolarHBondContact CD-OH 3.39Å; R165-Y220 HydrophobicContact CG-CE2 4.4Å; R165-Y220 PolarHBondContact NH1-OH 3.08Å; R165-D225 PolarHBondContact N-OD1 3.46Å
166	D	90.9	Very high	94.2	Very high	11 Å²	11	16.5 Å²	16.5	6%	0.059	10%	0.1	C	C	.	.			trans	-150.5	41.4	178.3	-169	34	0	0	0	110.8	H164 K168 N171 L187	H164-D166 PolarHBondContact ND1-N 3.41Å; H164-D166 PolarHBondContact O-N 3.23Å; H164-D166 VanDerWaalsContact O-N 3.12Å; D166-K168 PolarHBondContact O-N 3.17Å; D166-K168 IonicContact OD1-NZ 3.39Å; D166-K168 PolarHBondContact OD1-NZ 3.12Å; D166-K168 IonicContact OD2-NZ 2.75Å; D166-K168 PolarHBondContact OD2-NZ 3.1Å; D166-N171 PolarHBondContact O-ND2 3.49Å; D166-N171 PolarHBondContact OD2-ND2 2.87Å; D166-N171 VanDerWaalsContact OD2-ND2 3.16Å; D166-L187 HydrophobicContact CB-CB 4.18Å; D166-L187 HydrophobicContact CB-CD1 3.52Å; D166-L187 HydrophobicContact CB-CG 4.33Å
167	I	95	Very high	93.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.129	C	C	.	.			trans	-72.1	119.1	174.6	-54.3	-173.5	0	0	0	107.6	V154 H164 L172 Y208 D225 S228 I232	V154-I167 HydrophobicContact CG2-CD1 3.49Å; V154-I167 VanDerWaalsContact CG2-CD1 3.49Å; H164-I167 HydrophobicContact CB-CD1 4.05Å; H164-I167 HydrophobicContact CB-CG1 3.68Å; I167-L172 HydrophobicContact CG2-CD2 4.29Å; I167-Y208 WeakPolarHBondContact O-CB 3.41Å; I167-D225 HydrophobicContact CD1-CB 3.68Å; I167-S228 WeakPolarHBondContact O-CB 3.37Å; I167-I232 HydrophobicContact CG2-CD1 3.63Å
168	K	94.3	Very high	93.7	Very high	24 Å²	24	23.3 Å²	23.3	10%	0.104	14%	0.139	C	C	.	.			trans	-153.7	159.4	178.1	62.3	-171.1	174.7	-142.1	0	109.6	D166 G170 N171 Y208	D166-K168 PolarHBondContact O-N 3.17Å; D166-K168 IonicContact OD1-NZ 3.39Å; D166-K168 PolarHBondContact OD1-NZ 3.12Å; D166-K168 IonicContact OD2-NZ 2.75Å; D166-K168 PolarHBondContact OD2-NZ 3.1Å; K168-G170 PolarHBondContact O-N 3.48Å; K168-N171 WeakPolarHBondContact CE-ND2 3.41Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 WeakPolarHBondContact O-CA 3.29Å; K168-N171 PolarHBondContact O-N 3.39Å; K168-Y208 HydrophobicContact CB-CD2 3.4Å; K168-Y208 VanDerWaalsContact CB-CD2 3.4Å; K168-Y208 HydrophobicContact CB-CE2 3.58Å; K168-Y208 HydrophobicContact CB-CG 3.96Å
169	P	94.6	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.3	-32.5	-176.5	-28.4	36.7	0	0	0	114.9	L128 H129 I132 N171 L172 Y208 I232	L128-P169 HydrophobicContact CB-CB 4.15Å; L128-P169 WeakPolarHBondContact CB-O 3.27Å; L128-P169 PolarHBondContact N-O 3.09Å; L128-P169 VanDerWaalsContact N-O 3.16Å; H129-P169 HydrophobicContact CB-CB 3.8Å; H129-P169 PolarHBondContact N-O 3.38Å; I132-P169 HydrophobicContact CD1-CB 3.88Å; I132-P169 HydrophobicContact CD1-CG 3.91Å; P169-N171 VanDerWaalsContact C-N 3.27Å; P169-N171 PolarHBondContact O-N 2.93Å; P169-L172 PolarHBondContact O-N 3.13Å; P169-Y208 VanDerWaalsContact CD-OH 3.24Å; P169-Y208 WeakPolarHBondContact CD-OH 3.43Å; P169-Y208 HydrophobicContact CG-CE1 3.96Å; P169-I232 HydrophobicContact CG-CG1 4.05Å
170	G	91.7	Very high	93.8	Very high	33 Å²	33	22.4 Å²	22.4	34%	0.34	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.2	-20.1	175.9	0	0	0	0	0	114.8	K168	K168-G170 PolarHBondContact O-N 3.48Å
171	N	94.4	Very high	93.9	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-98.3	10.6	177.5	-71.6	-5.4	0	0	0	112.3	D166 K168 P169 C183	D166-N171 PolarHBondContact O-ND2 3.49Å; D166-N171 PolarHBondContact OD2-ND2 2.87Å; D166-N171 VanDerWaalsContact OD2-ND2 3.16Å; K168-N171 WeakPolarHBondContact CE-ND2 3.41Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 WeakPolarHBondContact O-CA 3.29Å; K168-N171 PolarHBondContact O-N 3.39Å; P169-N171 VanDerWaalsContact C-N 3.27Å; P169-N171 PolarHBondContact O-N 2.93Å; N171-C183 PolarHBondContact O-N 2.71Å; N171-C183 PolarHBondContact O-SG 2.84Å
172	L	96.4	Very high	94.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	93.3	178.2	-59.4	176.3	0	0	0	108.4	D127 L128 I150 I167 P169 L180 I182 I232	D127-L172 CarbonylContact C-O 3.52Å; D127-L172 VanDerWaalsContact CA-O 3.29Å; D127-L172 WeakPolarHBondContact CA-O 3.42Å; L128-L172 HydrophobicContact CB-CB 3.87Å; L128-L172 HydrophobicContact CD2-CB 4.33Å; L128-L172 HydrophobicContact CD2-CD1 3.6Å; L128-L172 PolarHBondContact N-O 3.02Å; I150-L172 HydrophobicContact CD1-CD1 3.62Å; I150-L172 HydrophobicContact CG1-CD1 3.93Å; I150-L172 HydrophobicContact CG1-CD2 4.26Å; I167-L172 HydrophobicContact CG2-CD2 4.29Å; P169-L172 PolarHBondContact O-N 3.13Å; L172-L180 HydrophobicContact CB-CD1 4.07Å; L172-L180 HydrophobicContact CB-CD2 4.45Å; L172-L180 HydrophobicContact CB-CG 4.28Å; L172-L180 HydrophobicContact CD2-CD2 4.16Å; L172-I182 HydrophobicContact CD2-CB 4.39Å; L172-I182 HydrophobicContact CD2-CG1 3.75Å; L172-I232 HydrophobicContact CD1-CD1 3.89Å; L172-I232 HydrophobicContact CD1-CG2 4.29Å
173	L	96.1	Very high	94.1	Very high	36 Å²	36	22 Å²	22	19%	0.188	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.9	-178.4	-56.6	179.2	0	0	0	110.4	L100 M124 S126 D127 L180 K181 C183	L100-L173 HydrophobicContact CD1-CD1 4.31Å; L100-L173 HydrophobicContact CD2-CD1 3.96Å; M124-L173 HydrophobicContact CB-CB 3.67Å; M124-L173 HydrophobicContact CB-CD1 4.13Å; M124-L173 HydrophobicContact CB-CG 4.4Å; M124-L173 HydrophobicContact CE-CB 4.15Å; M124-L173 HydrophobicContact CG-CB 3.64Å; M124-L173 HydrophobicContact CG-CD1 3.82Å; M124-L173 HydrophobicContact CG-CG 4.37Å; S126-L173 CarbonylContact O-C 3.47Å; S126-L173 WeakPolarHBondContact O-CA 3.42Å; D127-L173 HydrophobicContact CB-CD2 4.35Å; L173-L180 CarbonylContact O-C 3.59Å; L173-L180 VanDerWaalsContact O-CA 3.22Å; L173-L180 WeakPolarHBondContact O-CA 3.38Å; L173-K181 PolarHBondContact N-O 2.99Å; L173-K181 PolarHBondContact O-N 3.4Å; L173-C183 HydrophobicContact CD1-CB 3.81Å; L173-C183 HydrophobicContact CG-CB 4.02Å; L173-C183 VanDerWaalsContact CG-SG 3.59Å
174	V	95.1	Very high	93.8	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.03	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137	-176.9	-177.1	0	0	0	0	110.4	Q125 S126 L128 F146 L179 L180	Q125-V174 PolarHBondContact N-O 3.47Å; S126-V174 PolarHBondContact N-O 3.06Å; S126-V174 PolarHBondContact O-N 2.6Å; L128-V174 HydrophobicContact CB-CG2 4.32Å; L128-V174 HydrophobicContact CD1-CG2 4.15Å; F146-V174 HydrophobicContact CE1-CG1 3.87Å; F146-V174 HydrophobicContact CE1-CG2 4.14Å; F146-V174 HydrophobicContact CZ-CG1 4.06Å; V174-L179 WeakPolarHBondContact CA-O 3.32Å; V174-L180 HydrophobicContact CG2-CB 4.46Å; V174-L180 HydrophobicContact CG2-CD1 4.32Å; V174-L180 HydrophobicContact CG2-CG 4.39Å
175	N	91.7	Very high	93.6	Very high	23 Å²	23	22.8 Å²	22.8	12%	0.123	14%	0.136	C	C	.	.			trans	-101.1	175.3	172.3	78.2	12.1	0	0	0	112.8	M124 N177 C178 L179	M124-N175 HydrophobicContact CE-CB 4.02Å; M124-N175 HydrophobicContact SD-CB 4.36Å; N175-N177 PolarHBondContact O-N 3.48Å; N175-N177 VanDerWaalsContact O-N 3.15Å; N175-N177 WeakPolarHBondContact OD1-CA 3.45Å; N175-N177 PolarHBondContact OD1-N 2.94Å; N175-C178 PolarHBondContact O-N 3.34Å; N175-C178 PolarHBondContact OD1-N 2.96Å; N175-L179 PolarHBondContact N-O 3.44Å; N175-L179 WeakPolarHBondContact ND2-CB 3.4Å; N175-L179 VanDerWaalsContact OD1-CB 3.32Å; N175-L179 WeakPolarHBondContact OD1-CB 3.48Å; N175-L179 PolarHBondContact OD1-N 3.44Å
176	S	88.9	Confident	93.1	Very high	90 Å²	90	21.3 Å²	21.3	63%	0.629	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.4	-179.2	46.8	0	0	0	0	114.8	Q125 C178	Q125-S176 PolarHBondContact NE2-OG 2.98Å; S176-C178 VanDerWaalsContact C-N 3.34Å
177	N	91.2	Very high	92.6	Very high	117 Å²	117	21.1 Å²	21.1	63%	0.626	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	16.1	176.8	-62.5	-26.6	0	0	0	112.3	N175 L179 M340	N175-N177 PolarHBondContact O-N 3.48Å; N175-N177 VanDerWaalsContact O-N 3.15Å; N175-N177 WeakPolarHBondContact OD1-CA 3.45Å; N175-N177 PolarHBondContact OD1-N 2.94Å; N177-L179 PolarHBondContact O-N 2.89Å; N177-L179 VanDerWaalsContact O-N 3.13Å; N177-M340 WeakPolarHBondContact O-CE 3.28Å
178	C	93.4	Very high	92	Very high	32 Å²	32	21 Å²	21	22%	0.216	13%	0.129	C	C	.	.			trans	59.8	16.7	-175.4	-57.7	0	0	0	0	115	F146 Q149 N175 S176 L180 M340	F146-C178 HydrophobicContact CE1-CB 4.03Å; F146-C178 HydrophobicContact CZ-CB 4.11Å; Q149-C178 PolarHBondContact NE2-O 3.47Å; N175-C178 PolarHBondContact O-N 3.34Å; N175-C178 PolarHBondContact OD1-N 2.96Å; S176-C178 VanDerWaalsContact C-N 3.34Å; C178-L180 PolarHBondContact O-N 3.21Å; C178-M340 HydrophobicContact CB-CE 4.11Å
179	L	96.6	Very high	91.6	Very high	22 Å²	22	21 Å²	21	12%	0.115	13%	0.128	C	C	.	.			trans	-68.5	125.5	169.1	-177.4	69.9	0	0	0	108.1	D97 M124 V174 N175 N177 F336	D97-L179 HydrophobicContact CB-CD1 4.35Å; M124-L179 WeakPolarHBondContact CE-O 3.32Å; V174-L179 WeakPolarHBondContact CA-O 3.32Å; N175-L179 PolarHBondContact N-O 3.44Å; N175-L179 WeakPolarHBondContact ND2-CB 3.4Å; N175-L179 VanDerWaalsContact OD1-CB 3.32Å; N175-L179 WeakPolarHBondContact OD1-CB 3.48Å; N175-L179 PolarHBondContact OD1-N 3.44Å; N177-L179 PolarHBondContact O-N 2.89Å; N177-L179 VanDerWaalsContact O-N 3.13Å; L179-F336 HydrophobicContact CD1-CE2 3.92Å
180	L	97.9	Very high	91	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.9	180	-179.5	153.7	0	0	0	110.2	N98 L128 F146 Q149 I150 L172 L173 V174 C178 I182	N98-L180 VanDerWaalsContact CA-O 3.26Å; N98-L180 WeakPolarHBondContact CA-O 3.2Å; N98-L180 PolarHBondContact ND2-O 2.84Å; L128-L180 HydrophobicContact CD2-CD1 4.38Å; F146-L180 HydrophobicContact CB-CD1 4.39Å; F146-L180 HydrophobicContact CD1-CB 4.2Å; F146-L180 HydrophobicContact CD1-CD1 3.81Å; F146-L180 HydrophobicContact CG-CD1 4.42Å; Q149-L180 HydrophobicContact CB-CB 4.14Å; Q149-L180 HydrophobicContact CB-CD2 4.45Å; I150-L180 HydrophobicContact CD1-CD1 4.1Å; I150-L180 HydrophobicContact CG1-CD1 3.73Å; I150-L180 HydrophobicContact CG1-CD2 3.8Å; I150-L180 HydrophobicContact CG1-CG 4.46Å; L172-L180 HydrophobicContact CB-CD1 4.07Å; L172-L180 HydrophobicContact CB-CD2 4.45Å; L172-L180 HydrophobicContact CB-CG 4.28Å; L172-L180 HydrophobicContact CD2-CD2 4.16Å; L173-L180 CarbonylContact O-C 3.59Å; L173-L180 VanDerWaalsContact O-CA 3.22Å; L173-L180 WeakPolarHBondContact O-CA 3.38Å; V174-L180 HydrophobicContact CG2-CB 4.46Å; V174-L180 HydrophobicContact CG2-CD1 4.32Å; V174-L180 HydrophobicContact CG2-CG 4.39Å; C178-L180 PolarHBondContact O-N 3.21Å; L180-I182 HydrophobicContact CD2-CG1 4.44Å
181	K	97.9	Very high	90.5	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.043	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.2	172.6	-71.4	-179.7	-175.2	-66.3	0	111.2	D97 L100 E122 M124 L173	D97-K181 WeakPolarHBondContact O-CG 3.46Å; D97-K181 PolarHBondContact O-NZ 3.38Å; L100-K181 HydrophobicContact CB-CB 4.42Å; L100-K181 HydrophobicContact CD1-CD 4.01Å; E122-K181 WeakPolarHBondContact OE2-CE 3.47Å; E122-K181 IonicContact OE2-NZ 3.58Å; M124-K181 HydrophobicContact CE-CB 4.19Å; M124-K181 HydrophobicContact CE-CD 4.16Å; M124-K181 HydrophobicContact CE-CG 4.1Å; M124-K181 HydrophobicContact SD-CD 3.93Å; L173-K181 PolarHBondContact N-O 2.99Å; L173-K181 PolarHBondContact O-N 3.4Å
182	I	97.7	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.8	170.9	-57.4	166.8	0	0	0	108.9	N98 L100 V154 L157 H164 L172 L180 F185	N98-I182 WeakPolarHBondContact O-CG1 3.5Å; N98-I182 PolarHBondContact O-N 3.16Å; L100-I182 WeakPolarHBondContact CB-O 3.23Å; L100-I182 PolarHBondContact N-O 3.42Å; V154-I182 HydrophobicContact CG2-CD1 3.71Å; L157-I182 HydrophobicContact CD1-CD1 4.26Å; L157-I182 HydrophobicContact CD1-CG2 4.39Å; H164-I182 WeakPolarHBondContact CD2-CG2 3.48Å; H164-I182 WeakPolarHBondContact NE2-CG2 3.38Å; L172-I182 HydrophobicContact CD2-CB 4.39Å; L172-I182 HydrophobicContact CD2-CG1 3.75Å; L180-I182 HydrophobicContact CD2-CG1 4.44Å; I182-F185 HydrophobicContact CG2-CE1 4.33Å; I182-F185 HydrophobicContact CG2-CZ 4.27Å
183	C	94.2	Very high	88.4	Confident	14 Å²	14	26.4 Å²	26.4	10%	0.095	15%	0.15	C	C	.	.			trans	-134.2	176.1	177.8	76	0	0	0	0	112.2	L100 H164 N171 L173	L100-C183 HydrophobicContact CB-CB 4.09Å; L100-C183 HydrophobicContact CD2-CB 3.77Å; H164-C183 PolarHBondContact NE2-O 3.04Å; N171-C183 PolarHBondContact O-N 2.71Å; N171-C183 PolarHBondContact O-SG 2.84Å; L173-C183 HydrophobicContact CD1-CB 3.81Å; L173-C183 HydrophobicContact CG-CB 4.02Å; L173-C183 VanDerWaalsContact CG-SG 3.59Å
184	D	87.8	Confident	87	Confident	15 Å²	15	29.5 Å²	29.5	8%	0.08	17%	0.174	C	C	.	.			trans	67.2	73.6	177.1	-160.6	-4	0	0	0	114.8	F51 H164 G186	F51-D184 WeakPolarHBondContact CD2-OD1 3.44Å; F51-D184 WeakPolarHBondContact CD2-OD2 3.41Å; F51-D184 WeakPolarHBondContact CE2-OD1 3.43Å; F51-D184 WeakPolarHBondContact CE2-OD2 3.42Å; H164-D184 PolarHBondContact CE1-O 3.34Å; H164-D184 PolarHBondContact NE2-O 2.87Å; D184-G186 PolarHBondContact O-N 3.22Å; D184-G186 PolarHBondContact OD1-N 3.47Å
185	F	88.2	Confident	85.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-86.8	15.5	178.2	-54.2	-83.1	0	0	0	113	E87 M90 L91 F94 V99 L157 H164 I182 L187 A188	E87-F185 HydrophobicContact CG-CB 4.32Å; M90-F185 HydrophobicContact SD-CB 4.28Å; L91-F185 HydrophobicContact CD2-CD2 3.57Å; L91-F185 HydrophobicContact CD2-CE2 3.61Å; L91-F185 HydrophobicContact CG-CD2 4.07Å; F94-F185 HydrophobicContact CD2-CE2 4.14Å; F94-F185 HydrophobicContact CD2-CZ 4.19Å; F94-F185 AromaticContact CE2-CD1 3.98Å; F94-F185 HydrophobicContact CE2-CD1 3.98Å; F94-F185 AromaticContact CE2-CD2 3.86Å; F94-F185 HydrophobicContact CE2-CD2 3.86Å; F94-F185 AromaticContact CE2-CE1 3.75Å; F94-F185 HydrophobicContact CE2-CE1 3.75Å; F94-F185 AromaticContact CE2-CE2 3.64Å; F94-F185 HydrophobicContact CE2-CE2 3.64Å; F94-F185 HydrophobicContact CE2-CG 4.04Å; F94-F185 AromaticContact CE2-CZ 3.61Å; F94-F185 HydrophobicContact CE2-CZ 3.61Å; F94-F185 HydrophobicContact CZ-CD1 4.26Å; F94-F185 HydrophobicContact CZ-CE1 4.19Å; F94-F185 HydrophobicContact CZ-CZ 4.47Å; V99-F185 HydrophobicContact CG1-CE1 4.19Å; V99-F185 HydrophobicContact CG1-CE2 4.32Å; V99-F185 HydrophobicContact CG1-CZ 3.53Å; L157-F185 HydrophobicContact CD1-CE1 3.84Å; L157-F185 HydrophobicContact CD2-CD1 4.48Å; L157-F185 HydrophobicContact CD2-CE1 3.77Å; L157-F185 HydrophobicContact CD2-CZ 4.47Å; L157-F185 HydrophobicContact CG-CE1 4.47Å; H164-F185 AromaticContact CD2-CE1 3.81Å; I182-F185 HydrophobicContact CG2-CE1 4.33Å; I182-F185 HydrophobicContact CG2-CZ 4.27Å; F185-L187 PolarHBondContact O-N 2.94Å; F185-A188 HydrophobicContact CB-CB 3.87Å; F185-A188 HydrophobicContact CD1-CB 4.32Å; F185-A188 VanDerWaalsContact O-CB 3.24Å; F185-A188 WeakPolarHBondContact O-CB 3.49Å; F185-A188 PolarHBondContact O-N 3.16Å
186	G	80.3	Confident	83.7	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.4	-37	-179.1	0	0	0	0	0	111.8	R83 D184	R83-G186 WeakPolarHBondContact CG-O 3.31Å; R83-G186 PolarHBondContact NE-O 3.08Å; R83-G186 PolarHBondContact NH1-O 3.17Å; R83-G186 PolarHBondContact NH2-O 3.2Å; D184-G186 PolarHBondContact O-N 3.22Å; D184-G186 PolarHBondContact OD1-N 3.47Å
187	L	80.8	Confident	81.8	Confident	7 Å²	7	35.1 Å²	35.1	4%	0.037	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-87.9	-2.7	176.6	-67.6	-178.8	0	0	0	113.4	R83 R165 D166 F185 E202 V204	R83-L187 VanDerWaalsContact NH2-N 3.14Å; R165-L187 PolarHBondContact NE-O 2.75Å; R165-L187 PolarHBondContact NH2-O 2.84Å; D166-L187 HydrophobicContact CB-CB 4.18Å; D166-L187 HydrophobicContact CB-CD1 3.52Å; D166-L187 HydrophobicContact CB-CG 4.33Å; F185-L187 PolarHBondContact O-N 2.94Å; L187-E202 HydrophobicContact CD2-CB 3.61Å; L187-E202 HydrophobicContact CD2-CG 4.46Å; L187-E202 WeakPolarHBondContact CD2-OE2 3.47Å; L187-V204 HydrophobicContact CD1-CB 3.86Å; L187-V204 HydrophobicContact CD1-CG2 3.57Å; L187-V204 HydrophobicContact CD2-CG2 4.49Å; L187-V204 HydrophobicContact CG-CG2 4.49Å
188	A	82	Confident	80	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.			trans	-66.3	150.8	-176.1	0	0	0	0	0	111.8	R86 M90 I162 L163 F185	R86-A188 WeakPolarHBondContact CD-O 3.47Å; M90-A188 HydrophobicContact CE-CB 4.23Å; M90-A188 HydrophobicContact SD-CB 3.73Å; I162-A188 HydrophobicContact CG2-CB 3.99Å; L163-A188 CarbonylContact O-C 3.41Å; L163-A188 WeakPolarHBondContact O-CA 3.38Å; L163-A188 WeakPolarHBondContact O-CB 3.26Å; F185-A188 HydrophobicContact CB-CB 3.87Å; F185-A188 HydrophobicContact CD1-CB 4.32Å; F185-A188 VanDerWaalsContact O-CB 3.24Å; F185-A188 WeakPolarHBondContact O-CB 3.49Å; F185-A188 PolarHBondContact O-N 3.16Å
189	R	85.9	Confident	78.3	Confident	23 Å²	23	35.9 Å²	35.9	9%	0.087	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.6	175.7	-68.6	-62.1	-177.7	-97.9	3.7	110.7	I162 L163 R165 L199 E202	I162-R189 WeakPolarHBondContact CA-O 3.23Å; L163-R189 PolarHBondContact N-O 3.22Å; L163-R189 PolarHBondContact O-N 3.42Å; R165-R189 VanDerWaalsContact NH2-CG 3.33Å; R189-L199 HydrophobicContact CB-CD2 4.05Å; R189-L199 HydrophobicContact CG-CD2 4.27Å; R189-E202 IonicContact CZ-OE1 3.78Å; R189-E202 VanDerWaalsContact NH2-CD 3.29Å; R189-E202 IonicContact NH2-OE1 2.89Å; R189-E202 PolarHBondContact NH2-OE1 3.38Å; R189-E202 IonicContact NH2-OE2 2.75Å; R189-E202 PolarHBondContact NH2-OE2 2.97Å
190	I	82.9	Confident	76.2	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.2	164.3	-59.8	167.2	0	0	0	106.3	M90 N161 F366 V368 W370 E371	M90-I190 HydrophobicContact CE-CG1 3.85Å; N161-I190 HydrophobicContact CB-CG2 4.46Å; N161-I190 CarbonylContact O-C 3.5Å; N161-I190 VanDerWaalsContact O-CA 3.23Å; N161-I190 WeakPolarHBondContact O-CA 3.25Å; I190-F366 HydrophobicContact CD1-CB 3.83Å; I190-F366 HydrophobicContact CD1-CD1 3.9Å; I190-F366 HydrophobicContact CD1-CG 4.28Å; I190-F366 HydrophobicContact CG1-CB 3.82Å; I190-F366 HydrophobicContact CG1-CD1 4.34Å; I190-F366 HydrophobicContact CG1-CG 4.35Å; I190-F366 HydrophobicContact CG2-CB 4.07Å; I190-V368 HydrophobicContact CG2-CG2 4.05Å; I190-W370 HydrophobicContact CD1-CE3 3.86Å; I190-W370 HydrophobicContact CD1-CZ3 4.22Å; I190-E371 HydrophobicContact CB-CB 4.38Å; I190-E371 HydrophobicContact CD1-CB 4.13Å
191	W	81.4	Confident	73.9	Confident	41 Å²	41	41.7 Å²	41.7	16%	0.155	23%	0.227	C	C	.	.			trans	-121	137.4	-178.6	164.7	67	0	0	0	109.1	N161 L163 P193 A222	N161-W191 WeakPolarHBondContact CB-O 3.22Å; N161-W191 PolarHBondContact O-N 2.83Å; L163-W191 HydrophobicContact CD1-CB 3.81Å; L163-W191 HydrophobicContact CD1-CD2 4.37Å; L163-W191 HydrophobicContact CD1-CG 3.86Å; L163-W191 HydrophobicContact CD2-CB 4.45Å; L163-W191 HydrophobicContact CD2-CD2 4.43Å; L163-W191 HydrophobicContact CD2-CE3 4.21Å; L163-W191 HydrophobicContact CG-CB 3.68Å; L163-W191 HydrophobicContact CG-CD2 4.46Å; L163-W191 HydrophobicContact CG-CG 4.09Å; W191-P193 HydrophobicContact CE3-CG 3.97Å; W191-P193 HydrophobicContact CH2-CB 3.65Å; W191-P193 HydrophobicContact CH2-CG 3.93Å; W191-P193 VanDerWaalsContact CZ2-CA 3.44Å; W191-P193 HydrophobicContact CZ2-CB 4.1Å; W191-P193 HydrophobicContact CZ3-CB 3.88Å; W191-P193 HydrophobicContact CZ3-CG 3.59Å; W191-P193 WeakPolarHBondContact O-CD 3.36Å; W191-A222 HydrophobicContact CZ3-CB 4.46Å
192	D	76.5	Confident	71.6	Confident	37 Å²	37	44.4 Å²	44.4	20%	0.198	24%	0.24	C	C	.	.			trans	-93.4	117.9	173	-167.4	-28	0	0	0	109.4	S194 E195 V368	D192-S194 VanDerWaalsContact CG-OG 3.24Å; D192-S194 PolarHBondContact O-N 3.01Å; D192-S194 WeakPolarHBondContact OD1-CA 3.38Å; D192-S194 WeakPolarHBondContact OD1-CB 3.25Å; D192-S194 PolarHBondContact OD1-N 3.18Å; D192-S194 PolarHBondContact OD1-OG 3.32Å; D192-S194 PolarHBondContact OD2-OG 3.43Å; D192-E195 HydrophobicContact CB-CB 4.09Å; D192-E195 CarbonylContact O-C 3.59Å; D192-E195 PolarHBondContact O-N 3.3Å; D192-E195 PolarHBondContact OD1-N 3.32Å; D192-V368 HydrophobicContact CB-CG1 4.34Å; D192-V368 HydrophobicContact CB-CG2 3.84Å
193	P	70.2	Confident	69.1	Low	73 Å²	73	46 Å²	46	47%	0.474	25%	0.249	S	C	.	.	S	Bend	trans	-59.5	-27.4	173.6	-20.8	31.2	0	0	0	114.2	N161 W191	N161-P193 WeakPolarHBondContact OD1-CD 3.47Å; N161-P193 WeakPolarHBondContact OD1-CG 3.32Å; W191-P193 HydrophobicContact CE3-CG 3.97Å; W191-P193 HydrophobicContact CH2-CB 3.65Å; W191-P193 HydrophobicContact CH2-CG 3.93Å; W191-P193 VanDerWaalsContact CZ2-CA 3.44Å; W191-P193 HydrophobicContact CZ2-CB 4.1Å; W191-P193 HydrophobicContact CZ3-CB 3.88Å; W191-P193 HydrophobicContact CZ3-CG 3.59Å; W191-P193 WeakPolarHBondContact O-CD 3.36Å
194	S	66.6	Low	67.2	Low	100 Å²	100	47.4 Å²	47.4	70%	0.699	26%	0.258	S	S	*	.	S	Bend	trans	-86.2	-26.7	-177.7	73.8	0	0	0	0	113.3	D192	D192-S194 VanDerWaalsContact CG-OG 3.24Å; D192-S194 PolarHBondContact O-N 3.01Å; D192-S194 WeakPolarHBondContact OD1-CA 3.38Å; D192-S194 WeakPolarHBondContact OD1-CB 3.25Å; D192-S194 PolarHBondContact OD1-N 3.18Å; D192-S194 PolarHBondContact OD1-OG 3.32Å; D192-S194 PolarHBondContact OD2-OG 3.43Å
195	E	61.6	Low	66	Low	108 Å²	108	49.8 Å²	49.8	51%	0.505	27%	0.273	S	S	.	.			trans	-113.1	115.2	176.2	-65.7	-165.3	164.8	0	0	110.6	D192 G197	D192-E195 HydrophobicContact CB-CB 4.09Å; D192-E195 CarbonylContact O-C 3.59Å; D192-E195 PolarHBondContact O-N 3.3Å; D192-E195 PolarHBondContact OD1-N 3.32Å; E195-G197 PolarHBondContact O-N 3.08Å
196	Q	56.1	Low	65.6	Low	98 Å²	98	51 Å²	51	46%	0.458	28%	0.278	S	S	.	.			trans	-71.1	67	166.2	-62.5	179.8	0.1	0	0	109.9	K219	Q196-K219 HydrophobicContact CB-CB 4.44Å; Q196-K219 HydrophobicContact CB-CD 3.9Å; Q196-K219 HydrophobicContact CB-CG 4.44Å; Q196-K219 WeakPolarHBondContact O-CD 3.13Å; Q196-K219 WeakPolarHBondContact O-CE 3.34Å; Q196-K219 WeakPolarHBondContact O-CG 3.47Å; Q196-K219 PolarHBondContact O-NZ 2.96Å
197	G	48.6	Very low	66.2	Low	31 Å²	31	53.5 Å²	53.5	32%	0.32	29%	0.288	S	S	.	.			trans	-67.5	156.6	-177	0	0	0	0	0	112.6	E195 L199	E195-G197 PolarHBondContact O-N 3.08Å; G197-L199 PolarHBondContact O-N 2.85Å
198	H	53.4	Low	66.9	Low	140 Å²	140	53.9 Å²	53.9	65%	0.648	29%	0.289	S	S	*	.			trans	-69.7	118.4	173.1	-70.6	-68.6	0	0	0	110.1	R218	H198-R218 WeakPolarHBondContact CA-O 3.25Å
199	L	57.5	Low	67.4	Low	25 Å²	25	55.7 Å²	55.7	13%	0.131	30%	0.296	C	S	.	.			trans	-110.7	129.4	176.5	-66.7	169.9	0	0	0	109.6	L163 R189 G197 R218 Y220	L163-L199 HydrophobicContact CD1-CD1 4.06Å; R189-L199 HydrophobicContact CB-CD2 4.05Å; R189-L199 HydrophobicContact CG-CD2 4.27Å; G197-L199 PolarHBondContact O-N 2.85Å; L199-R218 PolarHBondContact N-O 2.78Å; L199-Y220 HydrophobicContact CB-CD1 4.44Å; L199-Y220 HydrophobicContact CB-CE1 3.55Å; L199-Y220 HydrophobicContact CB-CE2 3.94Å; L199-Y220 WeakPolarHBondContact CB-OH 3.45Å; L199-Y220 HydrophobicContact CD1-CD2 3.79Å; L199-Y220 HydrophobicContact CD1-CE1 4.28Å; L199-Y220 HydrophobicContact CD1-CE2 3.34Å; L199-Y220 HydrophobicContact CD1-CG 4.44Å; L199-Y220 HydrophobicContact CG-CE2 4.29Å
200	T	52	Low	67.8	Low	83 Å²	83	54.7 Å²	54.7	51%	0.509	29%	0.292	S	S	.	.			trans	-66.8	140.7	-175.4	55	0	0	0	0	112.4	R165 E202 Y220	R165-T200 PolarHBondContact NH1-O 2.72Å; T200-E202 PolarHBondContact O-N 3.29Å; T200-Y220 PolarHBondContact O-OH 3.19Å
201	H	51.1	Low	68.4	Low	60 Å²	60	54.2 Å²	54.2	28%	0.278	29%	0.29	S	S	.	.			trans	-74.7	108.8	168.6	-68.2	-81.4	0	0	0	108.9	A217 P428	H201-A217 PolarHBondContact CE1-O 2.99Å; H201-A217 PolarHBondContact NE2-O 3Å; H201-P428 HydrophobicContact CB-CB 3.79Å
202	E	49.6	Very low	69	Low	68 Å²	68	52.6 Å²	52.6	32%	0.318	28%	0.284	S	S	.	.			trans	-109.8	127.7	165.1	-76.3	179.6	-175.2	0	0	107.5	R83 L187 R189 T200	R83-E202 IonicContact CZ-OE2 3.65Å; R83-E202 IonicContact NH1-OE2 3.71Å; R83-E202 PolarHBondContact NH1-OE2 2.77Å; L187-E202 HydrophobicContact CD2-CB 3.61Å; L187-E202 HydrophobicContact CD2-CG 4.46Å; L187-E202 WeakPolarHBondContact CD2-OE2 3.47Å; R189-E202 IonicContact CZ-OE1 3.78Å; R189-E202 VanDerWaalsContact NH2-CD 3.29Å; R189-E202 IonicContact NH2-OE1 2.89Å; R189-E202 PolarHBondContact NH2-OE1 3.38Å; R189-E202 IonicContact NH2-OE2 2.75Å; R189-E202 PolarHBondContact NH2-OE2 2.97Å; T200-E202 PolarHBondContact O-N 3.29Å
203	V	45.1	Very low	69.7	Low	32 Å²	32	51.9 Å²	51.9	19%	0.194	28%	0.28	C	S	.	.			trans	-100.9	116.8	-165.7	178.7	0	0	0	0	109.5	P425	V203-P425 HydrophobicContact CB-CB 3.14Å; V203-P425 HydrophobicContact CB-CG 3.81Å; V203-P425 HydrophobicContact CG1-CB 3.16Å; V203-P425 HydrophobicContact CG1-CG 4.34Å; V203-P425 HydrophobicContact CG2-CB 3.85Å; V203-P425 HydrophobicContact CG2-CG 4.37Å
204	V	54	Low	70.7	Confident	45 Å²	45	48.7 Å²	48.7	27%	0.273	26%	0.259	S	S	.	.			trans	-135.8	170.1	167.5	179	0	0	0	0	107.7	L187 Q206 R209	L187-V204 HydrophobicContact CD1-CB 3.86Å; L187-V204 HydrophobicContact CD1-CG2 3.57Å; L187-V204 HydrophobicContact CD2-CG2 4.49Å; L187-V204 HydrophobicContact CG-CG2 4.49Å; V204-Q206 PolarHBondContact O-N 3.38Å; V204-R209 PolarHBondContact O-NH2 3.13Å
205	T	62	Low	72	Confident	64 Å²	64	44.1 Å²	44.1	39%	0.393	23%	0.227	S	C	.	.			trans	-11.8	112.6	178.4	-46.6	0	0	0	0	115.4	Y207 Y208	T205-Y207 HydrophobicContact CG2-CD2 3.93Å; T205-Y207 HydrophobicContact CG2-CE2 4.45Å; T205-Y207 HydrophobicContact CG2-CG 4.35Å; T205-Y208 HydrophobicContact CG2-CD2 4.46Å; T205-Y208 HydrophobicContact CG2-CE2 4.33Å
206	Q	80.1	Confident	73.3	Confident	25 Å²	25	39.6 Å²	39.6	12%	0.117	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-81.3	-14	-170.2	69.1	-164.1	-16.5	0	0	115.8	V204 Y208 R209 A245 Q246 G247 P248	V204-Q206 PolarHBondContact O-N 3.38Å; Q206-Y208 PolarHBondContact O-N 3.3Å; Q206-Y208 VanDerWaalsContact O-N 3.13Å; Q206-R209 VanDerWaalsContact O-CB 3.26Å; Q206-R209 WeakPolarHBondContact O-CB 3.42Å; Q206-R209 PolarHBondContact O-N 3.04Å; Q206-A245 PolarHBondContact NE2-O 3.38Å; Q206-Q246 PolarHBondContact NE2-O 2.85Å; Q206-G247 VanDerWaalsContact NE2-CA 3.31Å; Q206-G247 VanDerWaalsContact NE2-N 3.16Å; Q206-P248 VanDerWaalsContact OE1-CD 3.26Å
207	Y	93	Very high	74.8	Confident	53 Å²	53	35 Å²	35	21%	0.208	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.6	-30.2	-170.3	-56.5	-32.3	0	0	0	114.7	T205 I241 F243 Q244 A245 Q251	T205-Y207 HydrophobicContact CG2-CD2 3.93Å; T205-Y207 HydrophobicContact CG2-CE2 4.45Å; T205-Y207 HydrophobicContact CG2-CG 4.35Å; Y207-I241 HydrophobicContact CD2-CD1 3.79Å; Y207-I241 HydrophobicContact CD2-CG2 4.11Å; Y207-I241 HydrophobicContact CE2-CD1 3.9Å; Y207-I241 HydrophobicContact CG-CG2 3.97Å; Y207-F243 WeakPolarHBondContact CD1-O 3.47Å; Y207-Q244 HydrophobicContact CE1-CG 4.08Å; Y207-A245 VanDerWaalsContact CE1-O 3.27Å; Y207-A245 WeakPolarHBondContact CE1-O 3.03Å; Y207-Q251 PolarHBondContact O-NE2 3.06Å; Y207-Q251 VanDerWaalsContact O-NE2 3.09Å
208	Y	95	Very high	76.3	Confident	16 Å²	16	42.1 Å²	42.1	6%	0.063	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-106.4	7	-177.3	-46.4	-85	0	0	0	112.2	I167 K168 P169 T205 Q206 S228 C231 I232 E235	I167-Y208 WeakPolarHBondContact O-CB 3.41Å; K168-Y208 HydrophobicContact CB-CD2 3.4Å; K168-Y208 VanDerWaalsContact CB-CD2 3.4Å; K168-Y208 HydrophobicContact CB-CE2 3.58Å; K168-Y208 HydrophobicContact CB-CG 3.96Å; P169-Y208 VanDerWaalsContact CD-OH 3.24Å; P169-Y208 WeakPolarHBondContact CD-OH 3.43Å; P169-Y208 HydrophobicContact CG-CE1 3.96Å; T205-Y208 HydrophobicContact CG2-CD2 4.46Å; T205-Y208 HydrophobicContact CG2-CE2 4.33Å; Q206-Y208 PolarHBondContact O-N 3.3Å; Q206-Y208 VanDerWaalsContact O-N 3.13Å; Y208-S228 WeakPolarHBondContact O-CA 3.47Å; Y208-S228 WeakPolarHBondContact O-CB 2.98Å; Y208-S228 PolarHBondContact O-OG 2.84Å; Y208-C231 HydrophobicContact CD1-CB 3.8Å; Y208-I232 HydrophobicContact CD1-CG1 3.95Å; Y208-I232 HydrophobicContact CE1-CG1 4.08Å; Y208-E235 VanDerWaalsContact CE1-OE2 3.27Å; Y208-E235 WeakPolarHBondContact CE1-OE2 3.3Å; Y208-E235 PolarHBondContact OH-OE2 3.26Å
209	R	92.5	Very high	77.6	Confident	38 Å²	38	39.3 Å²	39.3	14%	0.143	19%	0.192	C	C	.	.			trans	-76.9	134.2	-176.4	-172.8	177.4	-64.8	173.8	6.7	110.4	V204 Q206 L213 L214 W227	V204-R209 PolarHBondContact O-NH2 3.13Å; Q206-R209 VanDerWaalsContact O-CB 3.26Å; Q206-R209 WeakPolarHBondContact O-CB 3.42Å; Q206-R209 PolarHBondContact O-N 3.04Å; R209-L213 HydrophobicContact CG-CB 3.61Å; R209-L213 HydrophobicContact CG-CD1 3.99Å; R209-L213 HydrophobicContact CG-CG 4.46Å; R209-L214 HydrophobicContact CB-CD2 4.36Å; R209-L214 HydrophobicContact CB-CG 4.4Å; R209-L214 HydrophobicContact CG-CD2 4.26Å; R209-L214 HydrophobicContact CG-CG 4.15Å; R209-W227 PolarHBondContact O-NE1 2.82Å
210	A	94.9	Very high	78.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.188	C	C	.	.			trans	-65.2	148	178.1	0	0	0	0	0	112.8	E212 L213 L214 V224 W227	A210-E212 VanDerWaalsContact C-N 3.28Å; A210-E212 VanDerWaalsContact CB-CD 3.46Å; A210-E212 HydrophobicContact CB-CG 4.33Å; A210-E212 WeakPolarHBondContact CB-OE1 3.2Å; A210-E212 WeakPolarHBondContact CB-OE2 3.45Å; A210-E212 PolarHBondContact O-N 3.09Å; A210-L213 HydrophobicContact CB-CD1 4.5Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 3.49Å; A210-L214 PolarHBondContact O-N 3.02Å; A210-L214 VanDerWaalsContact O-N 3.13Å; A210-V224 HydrophobicContact CB-CB 4.17Å; A210-V224 HydrophobicContact CB-CG1 4.19Å; A210-W227 HydrophobicContact CB-CB 3.78Å; A210-W227 HydrophobicContact CB-CD2 4.46Å; A210-W227 HydrophobicContact CB-CG 3.76Å
211	P	95.4	Very high	80.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-38.4	-177.1	22.7	-33	0	0	0	112.2	L213 L214 M215 W227 L252 F312	P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 3.39Å; P211-L214 CarbonylContact O-C 3.58Å; P211-L214 WeakPolarHBondContact O-CB 3.27Å; P211-L214 PolarHBondContact O-N 3.34Å; P211-L214 VanDerWaalsContact O-N 3.09Å; P211-M215 WeakPolarHBondContact O-CB 3.2Å; P211-M215 VanDerWaalsContact O-CG 3.23Å; P211-M215 WeakPolarHBondContact O-CG 3.26Å; P211-M215 PolarHBondContact O-N 3.37Å; P211-W227 VanDerWaalsContact CD-CD2 3.42Å; P211-W227 VanDerWaalsContact CD-CE3 3.49Å; P211-W227 HydrophobicContact CG-CD2 4.46Å; P211-W227 HydrophobicContact CG-CE3 4.07Å; P211-W227 HydrophobicContact CG-CH2 4.17Å; P211-W227 HydrophobicContact CG-CZ3 3.9Å; P211-L252 HydrophobicContact CB-CD1 4.49Å; P211-F312 HydrophobicContact CB-CE1 4.2Å; P211-F312 HydrophobicContact CB-CE2 4.16Å; P211-F312 HydrophobicContact CB-CZ 3.96Å
212	E	93.4	Very high	82.8	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-37.3	176.8	62.1	-86.9	-156.6	0	0	112.3	A210 M215 G216 A217 V224 R317	A210-E212 VanDerWaalsContact C-N 3.28Å; A210-E212 VanDerWaalsContact CB-CD 3.46Å; A210-E212 HydrophobicContact CB-CG 4.33Å; A210-E212 WeakPolarHBondContact CB-OE1 3.2Å; A210-E212 WeakPolarHBondContact CB-OE2 3.45Å; A210-E212 PolarHBondContact O-N 3.09Å; E212-M215 CarbonylContact O-C 3.5Å; E212-M215 PolarHBondContact O-N 2.99Å; E212-G216 PolarHBondContact O-N 3.4Å; E212-A217 HydrophobicContact CB-CB 3.92Å; E212-A217 WeakPolarHBondContact O-CB 3.5Å; E212-A217 PolarHBondContact O-N 3.02Å; E212-V224 HydrophobicContact CG-CG1 4.24Å; E212-V224 WeakPolarHBondContact OE1-CG1 3.34Å; E212-R317 IonicContact OE1-CZ 2.87Å; E212-R317 IonicContact OE1-NH1 3.6Å; E212-R317 PolarHBondContact OE1-NH1 3.07Å; E212-R317 IonicContact OE1-NH2 3.54Å; E212-R317 IonicContact OE2-CZ 3.87Å; E212-R317 IonicContact OE2-NH1 3.63Å; E212-R317 PolarHBondContact OE2-NH1 3.45Å; E212-R317 IonicContact OE2-NH2 3.1Å; E212-R317 PolarHBondContact OE2-NH2 3.03Å
213	L	91.2	Very high	85	Confident	22 Å²	22	31.7 Å²	31.7	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-72.5	-35.7	176	-66.2	177	0	0	0	111.9	R209 A210 P211 M215 G216 Y220 V224	R209-L213 HydrophobicContact CG-CB 3.61Å; R209-L213 HydrophobicContact CG-CD1 3.99Å; R209-L213 HydrophobicContact CG-CG 4.46Å; A210-L213 HydrophobicContact CB-CD1 4.5Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 3.49Å; P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 3.39Å; L213-M215 VanDerWaalsContact C-N 3.28Å; L213-G216 PolarHBondContact O-N 3.08Å; L213-Y220 HydrophobicContact CD2-CD1 3.41Å; L213-Y220 VanDerWaalsContact CD2-CD1 3.41Å; L213-Y220 HydrophobicContact CD2-CD2 4.19Å; L213-Y220 HydrophobicContact CD2-CE1 3.45Å; L213-Y220 VanDerWaalsContact CD2-CE1 3.45Å; L213-Y220 HydrophobicContact CD2-CE2 4.22Å; L213-Y220 HydrophobicContact CD2-CG 3.77Å; L213-V224 HydrophobicContact CD1-CB 4.16Å; L213-V224 HydrophobicContact CD1-CG1 3.97Å; L213-V224 HydrophobicContact CD2-CG1 4.44Å; L213-V224 HydrophobicContact CG-CG1 4.03Å
214	L	92.2	Very high	87.4	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-31.2	173.6	-66.9	168.4	0	0	0	111.7	R209 A210 P211 G216 P248 Q251 I255 W431	R209-L214 HydrophobicContact CB-CD2 4.36Å; R209-L214 HydrophobicContact CB-CG 4.4Å; R209-L214 HydrophobicContact CG-CD2 4.26Å; R209-L214 HydrophobicContact CG-CG 4.15Å; A210-L214 PolarHBondContact O-N 3.02Å; A210-L214 VanDerWaalsContact O-N 3.13Å; P211-L214 CarbonylContact O-C 3.58Å; P211-L214 WeakPolarHBondContact O-CB 3.27Å; P211-L214 PolarHBondContact O-N 3.34Å; P211-L214 VanDerWaalsContact O-N 3.09Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 3.21Å; L214-P248 HydrophobicContact CD2-CB 3.98Å; L214-Q251 HydrophobicContact CD1-CB 4.1Å; L214-Q251 HydrophobicContact CD1-CG 3.59Å; L214-Q251 HydrophobicContact CD2-CB 4.27Å; L214-Q251 HydrophobicContact CD2-CG 4.17Å; L214-I255 HydrophobicContact CD1-CD1 3.59Å; L214-W431 PolarHBondContact O-NE1 3.34Å
215	M	92.6	Very high	89.5	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.015	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	11.8	178.1	-64.1	-177.3	84.6	0	0	113.7	P211 E212 L213 L252 M267 A270 C271 A274 V278 F312	P211-M215 WeakPolarHBondContact O-CB 3.2Å; P211-M215 VanDerWaalsContact O-CG 3.23Å; P211-M215 WeakPolarHBondContact O-CG 3.26Å; P211-M215 PolarHBondContact O-N 3.37Å; E212-M215 CarbonylContact O-C 3.5Å; E212-M215 PolarHBondContact O-N 2.99Å; L213-M215 VanDerWaalsContact C-N 3.28Å; M215-L252 HydrophobicContact CG-CD1 4.04Å; M215-L252 HydrophobicContact CG-CD2 3.9Å; M215-L252 HydrophobicContact SD-CD1 4.36Å; M215-M267 HydrophobicContact CE-CB 4.1Å; M215-M267 HydrophobicContact CE-CG 3.63Å; M215-M267 HydrophobicContact CE-SD 3.38Å; M215-M267 WeakPolarHBondContact CE-SD 3.4Å; M215-M267 HydrophobicContact SD-CG 4.25Å; M215-A270 HydrophobicContact CB-CB 3.81Å; M215-A270 HydrophobicContact CE-CB 3.29Å; M215-A270 HydrophobicContact CG-CB 4.44Å; M215-A270 HydrophobicContact SD-CB 3.98Å; M215-C271 PolarHBondContact O-N 3.28Å; M215-C271 PolarHBondContact O-SG 3.04Å; M215-A274 HydrophobicContact CB-CB 3.75Å; M215-A274 HydrophobicContact CE-CB 4.03Å; M215-A274 HydrophobicContact CG-CB 4.05Å; M215-V278 HydrophobicContact CE-CG2 4.14Å; M215-F312 HydrophobicContact SD-CE1 3.59Å; M215-F312 VanDerWaalsContact SD-CE1 3.59Å; M215-F312 HydrophobicContact SD-CZ 3.64Å
216	G	89.2	Confident	91.2	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	26	174.2	0	0	0	0	0	114.8	E212 L213 L214 R218	E212-G216 PolarHBondContact O-N 3.4Å; L213-G216 PolarHBondContact O-N 3.08Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 3.21Å; G216-R218 PolarHBondContact O-N 2.83Å
217	A	88.3	Confident	92.1	Very high	1 Å²	1	24 Å²	24	1%	0.008	11%	0.111	C	C	.	.			trans	-61.9	119.9	176.4	0	0	0	0	0	111.2	H201 E212 K219 Y269	H201-A217 PolarHBondContact CE1-O 2.99Å; H201-A217 PolarHBondContact NE2-O 3Å; E212-A217 HydrophobicContact CB-CB 3.92Å; E212-A217 WeakPolarHBondContact O-CB 3.5Å; E212-A217 PolarHBondContact O-N 3.02Å; A217-K219 VanDerWaalsContact C-N 3.3Å; A217-Y269 VanDerWaalsContact CA-O 3.29Å; A217-Y269 WeakPolarHBondContact CA-O 3.44Å; A217-Y269 WeakPolarHBondContact CB-O 3.47Å
218	R	80.8	Confident	92.3	Very high	180 Å²	180	21.8 Å²	21.8	68%	0.679	10%	0.103	S	C	*	.	S	Bend	trans	-78	-18.4	176.4	-61.2	-175.2	178.5	-174.5	0.2	113.3	H198 L199 G216	H198-R218 WeakPolarHBondContact CA-O 3.25Å; L199-R218 PolarHBondContact N-O 2.78Å; G216-R218 PolarHBondContact O-N 2.83Å
219	K	79.1	Confident	92.5	Very high	82 Å²	82	21 Å²	21	36%	0.357	10%	0.1	S	C	.	.			trans	-124.5	128.5	179.2	-64	-177.7	172.5	-161	0	107.6	Q196 A217	Q196-K219 HydrophobicContact CB-CB 4.44Å; Q196-K219 HydrophobicContact CB-CD 3.9Å; Q196-K219 HydrophobicContact CB-CG 4.44Å; Q196-K219 WeakPolarHBondContact O-CD 3.13Å; Q196-K219 WeakPolarHBondContact O-CE 3.34Å; Q196-K219 WeakPolarHBondContact O-CG 3.47Å; Q196-K219 PolarHBondContact O-NZ 2.96Å; A217-K219 VanDerWaalsContact C-N 3.3Å
220	Y	85.8	Confident	92.7	Very high	14 Å²	14	19.2 Å²	19.2	6%	0.055	9%	0.094	C	C	.	.			trans	-153.1	160.8	178.1	52.3	-94.4	0	0	0	109.8	L163 R165 L199 T200 L213 V224	L163-Y220 HydrophobicContact CD1-CD2 4.37Å; L163-Y220 HydrophobicContact CD1-CE2 4.42Å; R165-Y220 WeakPolarHBondContact CD-OH 3.39Å; R165-Y220 HydrophobicContact CG-CE2 4.4Å; R165-Y220 PolarHBondContact NH1-OH 3.08Å; L199-Y220 HydrophobicContact CB-CD1 4.44Å; L199-Y220 HydrophobicContact CB-CE1 3.55Å; L199-Y220 HydrophobicContact CB-CE2 3.94Å; L199-Y220 WeakPolarHBondContact CB-OH 3.45Å; L199-Y220 HydrophobicContact CD1-CD2 3.79Å; L199-Y220 HydrophobicContact CD1-CE1 4.28Å; L199-Y220 HydrophobicContact CD1-CE2 3.34Å; L199-Y220 HydrophobicContact CD1-CG 4.44Å; L199-Y220 HydrophobicContact CG-CE2 4.29Å; T200-Y220 PolarHBondContact O-OH 3.19Å; L213-Y220 HydrophobicContact CD2-CD1 3.41Å; L213-Y220 VanDerWaalsContact CD2-CD1 3.41Å; L213-Y220 HydrophobicContact CD2-CD2 4.19Å; L213-Y220 HydrophobicContact CD2-CE1 3.45Å; L213-Y220 VanDerWaalsContact CD2-CE1 3.45Å; L213-Y220 HydrophobicContact CD2-CE2 4.22Å; L213-Y220 HydrophobicContact CD2-CG 3.77Å; Y220-V224 HydrophobicContact CD2-CG1 3.73Å; Y220-V224 HydrophobicContact CD2-CG2 4.23Å; Y220-V224 HydrophobicContact CG-CG1 4.01Å
221	T	91.1	Very high	92.9	Very high	32 Å²	32	19.3 Å²	19.3	20%	0.196	9%	0.094	C	C	.	.			trans	-117.2	-174.3	-170.7	66.4	0	0	0	0	111	A223 V224	T221-A223 PolarHBondContact O-N 2.85Å; T221-A223 WeakPolarHBondContact OG1-CB 3.35Å; T221-A223 PolarHBondContact OG1-N 2.82Å; T221-V224 WeakPolarHBondContact O-CG2 3.43Å; T221-V224 PolarHBondContact O-N 2.82Å
222	A	93.9	Very high	93.1	Very high	20 Å²	20	19.3 Å²	19.3	17%	0.165	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-20.7	167.5	0	0	0	0	0	115.1	H158 L163 W191 V224 D225	H158-A222 PolarHBondContact CE1-O 3.24Å; L163-A222 VanDerWaalsContact CD2-CA 3.5Å; L163-A222 HydrophobicContact CD2-CB 3.93Å; W191-A222 HydrophobicContact CZ3-CB 4.46Å; A222-V224 PolarHBondContact O-N 2.59Å; A222-V224 VanDerWaalsContact O-N 3.15Å; A222-D225 PolarHBondContact O-N 3.01Å
223	A	95.9	Very high	93.3	Very high	9 Å²	9	19 Å²	19	7%	0.074	9%	0.092	C	C	.	.	H	α-helix	trans	-58.3	-26.4	177.9	0	0	0	0	0	113.3	T221 D225 V226 W227 P314 R317	T221-A223 PolarHBondContact O-N 2.85Å; T221-A223 WeakPolarHBondContact OG1-CB 3.35Å; T221-A223 PolarHBondContact OG1-N 2.82Å; A223-D225 VanDerWaalsContact C-N 3.29Å; A223-D225 PolarHBondContact O-N 2.75Å; A223-V226 PolarHBondContact O-N 3.08Å; A223-W227 PolarHBondContact O-N 3.25Å; A223-P314 HydrophobicContact CB-CB 3.8Å; A223-P314 WeakPolarHBondContact CB-O 3.21Å; A223-R317 HydrophobicContact CB-CB 4.41Å; A223-R317 WeakPolarHBondContact O-CD 3.41Å; A223-R317 PolarHBondContact O-NH1 3.14Å
224	V	95.1	Very high	93.6	Very high	3 Å²	3	18 Å²	18	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-38.8	179.1	-60	0	0	0	0	112	A210 E212 L213 Y220 T221 A222 S228	A210-V224 HydrophobicContact CB-CB 4.17Å; A210-V224 HydrophobicContact CB-CG1 4.19Å; E212-V224 HydrophobicContact CG-CG1 4.24Å; E212-V224 WeakPolarHBondContact OE1-CG1 3.34Å; L213-V224 HydrophobicContact CD1-CB 4.16Å; L213-V224 HydrophobicContact CD1-CG1 3.97Å; L213-V224 HydrophobicContact CD2-CG1 4.44Å; L213-V224 HydrophobicContact CG-CG1 4.03Å; Y220-V224 HydrophobicContact CD2-CG1 3.73Å; Y220-V224 HydrophobicContact CD2-CG2 4.23Å; Y220-V224 HydrophobicContact CG-CG1 4.01Å; T221-V224 WeakPolarHBondContact O-CG2 3.43Å; T221-V224 PolarHBondContact O-N 2.82Å; A222-V224 PolarHBondContact O-N 2.59Å; A222-V224 VanDerWaalsContact O-N 3.15Å; V224-S228 PolarHBondContact O-N 3.26Å; V224-S228 PolarHBondContact O-OG 2.89Å
225	D	97	Very high	93.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.1	-38.4	178.8	-73	-26	0	0	0	110.1	V154 H158 H164 R165 I167 A222 A223 W227 S228 I229	V154-D225 HydrophobicContact CG1-CB 4.24Å; H158-D225 IonicContact CD2-OD2 3.21Å; H158-D225 IonicContact CE1-OD2 3.33Å; H158-D225 IonicContact NE2-OD2 2.63Å; H158-D225 PolarHBondContact NE2-OD2 3.26Å; H164-D225 PolarHBondContact N-OD2 2.81Å; R165-D225 PolarHBondContact N-OD1 3.46Å; I167-D225 HydrophobicContact CD1-CB 3.68Å; A222-D225 PolarHBondContact O-N 3.01Å; A223-D225 VanDerWaalsContact C-N 3.29Å; A223-D225 PolarHBondContact O-N 2.75Å; D225-W227 VanDerWaalsContact C-N 3.33Å; D225-W227 PolarHBondContact O-N 3.28Å; D225-S228 WeakPolarHBondContact O-CB 3.48Å; D225-S228 PolarHBondContact O-N 2.9Å; D225-I229 VanDerWaalsContact O-CG1 3.25Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 2.85Å
226	V	98.5	Very high	94.2	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-40.3	177.1	-178.8	0	0	0	0	111.6	A223 S228 I229 G230 M309 R317 V318	A223-V226 PolarHBondContact O-N 3.08Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 3.31Å; V226-I229 WeakPolarHBondContact O-CB 3.33Å; V226-I229 PolarHBondContact O-N 3.22Å; V226-G230 PolarHBondContact O-N 3.47Å; V226-M309 HydrophobicContact CG1-CB 4.14Å; V226-M309 HydrophobicContact CG1-CG 3.89Å; V226-R317 HydrophobicContact CG1-CG 4.18Å; V226-V318 HydrophobicContact CG1-CG1 4.1Å; V226-V318 WeakPolarHBondContact CG1-O 3.24Å
227	W	98.2	Very high	94.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-48.5	173.7	174	-84.2	0	0	0	111.5	R209 A210 P211 A223 D225 I229 G230 C231 F243 I255 L259 L310	R209-W227 PolarHBondContact O-NE1 2.82Å; A210-W227 HydrophobicContact CB-CB 3.78Å; A210-W227 HydrophobicContact CB-CD2 4.46Å; A210-W227 HydrophobicContact CB-CG 3.76Å; P211-W227 VanDerWaalsContact CD-CD2 3.42Å; P211-W227 VanDerWaalsContact CD-CE3 3.49Å; P211-W227 HydrophobicContact CG-CD2 4.46Å; P211-W227 HydrophobicContact CG-CE3 4.07Å; P211-W227 HydrophobicContact CG-CH2 4.17Å; P211-W227 HydrophobicContact CG-CZ3 3.9Å; A223-W227 PolarHBondContact O-N 3.25Å; D225-W227 VanDerWaalsContact C-N 3.33Å; D225-W227 PolarHBondContact O-N 3.28Å; W227-I229 VanDerWaalsContact C-N 3.25Å; W227-I229 PolarHBondContact O-N 3.23Å; W227-G230 WeakPolarHBondContact O-CA 3.33Å; W227-G230 PolarHBondContact O-N 3.41Å; W227-C231 PolarHBondContact O-N 3.2Å; W227-F243 HydrophobicContact CH2-CE2 4.25Å; W227-F243 HydrophobicContact CZ2-CD2 4.33Å; W227-F243 AromaticContact CZ2-CE2 3.72Å; W227-F243 HydrophobicContact CZ2-CE2 3.72Å; W227-F243 HydrophobicContact CZ2-CZ 4.43Å; W227-I255 HydrophobicContact CH2-CB 4.49Å; W227-I255 HydrophobicContact CH2-CD1 4.17Å; W227-I255 HydrophobicContact CH2-CG1 4.13Å; W227-I255 HydrophobicContact CH2-CG2 3.61Å; W227-I255 HydrophobicContact CZ2-CD1 3.53Å; W227-I255 HydrophobicContact CZ2-CG1 3.74Å; W227-I255 HydrophobicContact CZ2-CG2 4.1Å; W227-L259 HydrophobicContact CH2-CD1 3.76Å; W227-L259 HydrophobicContact CZ3-CD1 3.81Å; W227-L310 HydrophobicContact CD2-CD2 4.32Å; W227-L310 HydrophobicContact CE3-CD2 4.24Å; W227-L310 HydrophobicContact CH2-CD2 4.31Å; W227-L310 HydrophobicContact CZ2-CD2 4.38Å; W227-L310 HydrophobicContact CZ3-CB 4.42Å; W227-L310 HydrophobicContact CZ3-CD2 4.25Å
228	S	97.8	Very high	94.9	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-58.2	-40	178.1	-57.7	0	0	0	0	111.8	I167 Y208 V224 D225 V226 C231 I232	I167-S228 WeakPolarHBondContact O-CB 3.37Å; Y208-S228 WeakPolarHBondContact O-CA 3.47Å; Y208-S228 WeakPolarHBondContact O-CB 2.98Å; Y208-S228 PolarHBondContact O-OG 2.84Å; V224-S228 PolarHBondContact O-N 3.26Å; V224-S228 PolarHBondContact O-OG 2.89Å; D225-S228 WeakPolarHBondContact O-CB 3.48Å; D225-S228 PolarHBondContact O-N 2.9Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 3.31Å; S228-C231 PolarHBondContact O-N 3.15Å; S228-I232 WeakPolarHBondContact O-CD1 3.39Å; S228-I232 WeakPolarHBondContact O-CG1 3.41Å; S228-I232 PolarHBondContact O-N 3.39Å
229	I	98.7	Very high	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-41.7	174.7	-60.2	165.8	0	0	0	111	I150 L151 V154 D225 V226 W227 C231 I232 F233 M309	I150-I229 HydrophobicContact CG2-CD1 4.04Å; I150-I229 HydrophobicContact CG2-CG1 3.71Å; I150-I229 HydrophobicContact CG2-CG2 4.21Å; L151-I229 HydrophobicContact CD2-CD1 3.79Å; L151-I229 HydrophobicContact CD2-CG2 4.14Å; L151-I229 HydrophobicContact CG-CG2 4.32Å; V154-I229 HydrophobicContact CB-CD1 4.2Å; V154-I229 HydrophobicContact CG1-CD1 4.24Å; V154-I229 HydrophobicContact CG2-CD1 3.9Å; D225-I229 VanDerWaalsContact O-CG1 3.25Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 2.85Å; V226-I229 WeakPolarHBondContact O-CB 3.33Å; V226-I229 PolarHBondContact O-N 3.22Å; W227-I229 VanDerWaalsContact C-N 3.25Å; W227-I229 PolarHBondContact O-N 3.23Å; I229-C231 PolarHBondContact O-N 2.79Å; I229-I232 PolarHBondContact O-N 3.05Å; I229-F233 WeakPolarHBondContact O-CB 3.48Å; I229-F233 PolarHBondContact O-N 3.01Å; I229-M309 HydrophobicContact CG2-CE 4.21Å; I229-M309 HydrophobicContact CG2-SD 4.08Å
230	G	98.6	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.7	-46.3	173.8	0	0	0	0	0	112.5	V226 W227 I232 F233 A234 L306	V226-G230 PolarHBondContact O-N 3.47Å; W227-G230 WeakPolarHBondContact O-CA 3.33Å; W227-G230 PolarHBondContact O-N 3.41Å; G230-I232 PolarHBondContact O-N 3.25Å; G230-F233 PolarHBondContact O-N 2.93Å; G230-A234 PolarHBondContact O-N 2.9Å; G230-L306 WeakPolarHBondContact O-CD1 3.18Å
231	C	98.5	Very high	96.8	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-44.4	174.4	-69.9	0	0	0	0	112.3	Y208 W227 S228 I229 F233 A234 E235	Y208-C231 HydrophobicContact CD1-CB 3.8Å; W227-C231 PolarHBondContact O-N 3.2Å; S228-C231 PolarHBondContact O-N 3.15Å; I229-C231 PolarHBondContact O-N 2.79Å; C231-F233 VanDerWaalsContact C-N 3.31Å; C231-F233 PolarHBondContact O-N 2.9Å; C231-A234 PolarHBondContact O-N 2.64Å; C231-E235 WeakPolarHBondContact O-CB 3.38Å; C231-E235 PolarHBondContact O-N 2.89Å
232	I	98.3	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-38.7	176.9	-68.1	157.9	0	0	0	111	L128 I150 I167 P169 L172 Y208 S228 I229 G230 E235 L236	L128-I232 HydrophobicContact CD2-CG2 3.89Å; I150-I232 HydrophobicContact CD1-CG2 4.09Å; I167-I232 HydrophobicContact CG2-CD1 3.63Å; P169-I232 HydrophobicContact CG-CG1 4.05Å; L172-I232 HydrophobicContact CD1-CD1 3.89Å; L172-I232 HydrophobicContact CD1-CG2 4.29Å; Y208-I232 HydrophobicContact CD1-CG1 3.95Å; Y208-I232 HydrophobicContact CE1-CG1 4.08Å; S228-I232 WeakPolarHBondContact O-CD1 3.39Å; S228-I232 WeakPolarHBondContact O-CG1 3.41Å; S228-I232 PolarHBondContact O-N 3.39Å; I229-I232 PolarHBondContact O-N 3.05Å; G230-I232 PolarHBondContact O-N 3.25Å; I232-E235 PolarHBondContact O-N 3.42Å; I232-L236 HydrophobicContact CG2-CD1 4.05Å; I232-L236 HydrophobicContact CG2-CG 4.31Å; I232-L236 WeakPolarHBondContact O-CG 3.34Å; I232-L236 PolarHBondContact O-N 2.68Å
233	F	98.6	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-46.4	178.6	-175.8	-162.8	0	0	0	111.6	V143 I147 I229 G230 C231 E235 L236 L237 A302 L305 L306 M309 Y328	V143-F233 HydrophobicContact CG1-CD2 3.83Å; V143-F233 HydrophobicContact CG1-CE2 3.67Å; I147-F233 HydrophobicContact CD1-CB 3.57Å; I147-F233 HydrophobicContact CD1-CD2 4.01Å; I147-F233 HydrophobicContact CD1-CG 3.9Å; I147-F233 HydrophobicContact CG1-CB 4.11Å; I147-F233 HydrophobicContact CG1-CD2 3.6Å; I147-F233 HydrophobicContact CG1-CE2 4.18Å; I147-F233 HydrophobicContact CG1-CG 3.85Å; I229-F233 WeakPolarHBondContact O-CB 3.48Å; I229-F233 PolarHBondContact O-N 3.01Å; G230-F233 PolarHBondContact O-N 2.93Å; C231-F233 VanDerWaalsContact C-N 3.31Å; C231-F233 PolarHBondContact O-N 2.9Å; F233-E235 VanDerWaalsContact C-N 3.28Å; F233-E235 PolarHBondContact O-N 2.92Å; F233-L236 PolarHBondContact O-N 2.83Å; F233-L237 HydrophobicContact CD2-CD1 3.96Å; F233-L237 HydrophobicContact CD2-CG 4.01Å; F233-L237 HydrophobicContact CE2-CD1 3.62Å; F233-L237 HydrophobicContact CE2-CD2 4.11Å; F233-L237 HydrophobicContact CE2-CG 3.8Å; F233-L237 HydrophobicContact CZ-CD1 4.1Å; F233-L237 WeakPolarHBondContact O-CG 3.43Å; F233-L237 PolarHBondContact O-N 2.73Å; F233-A302 WeakPolarHBondContact CE1-O 3.25Å; F233-A302 HydrophobicContact CZ-CB 4Å; F233-L305 HydrophobicContact CE1-CB 4.22Å; F233-L305 HydrophobicContact CE1-CD2 4.07Å; F233-L305 HydrophobicContact CE1-CG 4.16Å; F233-L306 HydrophobicContact CB-CD1 4.09Å; F233-L306 HydrophobicContact CD1-CB 4.02Å; F233-L306 HydrophobicContact CD1-CD1 3.94Å; F233-L306 HydrophobicContact CE1-CB 4.04Å; F233-L306 HydrophobicContact CG-CD1 4.26Å; F233-M309 HydrophobicContact CD1-SD 4.32Å; F233-Y328 HydrophobicContact CE1-CD1 4.35Å; F233-Y328 HydrophobicContact CE1-CE1 4.15Å; F233-Y328 AromaticContact CE2-CE1 3.56Å; F233-Y328 HydrophobicContact CE2-CE1 3.56Å; F233-Y328 AromaticContact CE2-CZ 3.79Å; F233-Y328 AromaticContact CZ-CD1 3.74Å; F233-Y328 HydrophobicContact CZ-CD1 3.74Å; F233-Y328 AromaticContact CZ-CE1 3.18Å; F233-Y328 HydrophobicContact CZ-CE1 3.18Å; F233-Y328 HydrophobicContact CZ-CE2 4.43Å; F233-Y328 AromaticContact CZ-CZ 3.57Å
234	A	98.3	Very high	97.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-39.7	172.4	0	0	0	0	0	112.5	G230 C231 L237 G238 L242 L294 L306	G230-A234 PolarHBondContact O-N 2.9Å; C231-A234 PolarHBondContact O-N 2.64Å; A234-L237 PolarHBondContact O-N 3.48Å; A234-G238 PolarHBondContact O-N 3.23Å; A234-L242 HydrophobicContact CB-CB 4.02Å; A234-L242 HydrophobicContact CB-CD1 4.1Å; A234-L242 HydrophobicContact CB-CD2 3.64Å; A234-L242 HydrophobicContact CB-CG 4.12Å; A234-L294 HydrophobicContact CB-CD1 4.01Å; A234-L306 HydrophobicContact CB-CD1 4.13Å; A234-L306 HydrophobicContact CB-CD2 3.95Å
235	E	97.7	Very high	96.8	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-68.9	-36.4	178.2	-178.5	174.5	169.6	0	0	112.8	I132 Y208 C231 I232 F233 L237 R239 R240	I132-E235 HydrophobicContact CD1-CG 4.01Å; I132-E235 HydrophobicContact CG2-CG 3.81Å; Y208-E235 VanDerWaalsContact CE1-OE2 3.27Å; Y208-E235 WeakPolarHBondContact CE1-OE2 3.3Å; Y208-E235 PolarHBondContact OH-OE2 3.26Å; C231-E235 WeakPolarHBondContact O-CB 3.38Å; C231-E235 PolarHBondContact O-N 2.89Å; I232-E235 PolarHBondContact O-N 3.42Å; F233-E235 VanDerWaalsContact C-N 3.28Å; F233-E235 PolarHBondContact O-N 2.92Å; E235-L237 VanDerWaalsContact C-N 3.34Å; E235-R239 WeakPolarHBondContact O-CA 3.49Å; E235-R239 PolarHBondContact O-N 3.04Å; E235-R240 WeakPolarHBondContact CA-O 3.35Å; E235-R240 WeakPolarHBondContact CG-O 3.26Å
236	L	97.9	Very high	96.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-40	172.1	-75.2	170	0	0	0	111.5	L128 I132 L138 V143 F146 I147 I232 F233	L128-L236 HydrophobicContact CD1-CD2 3.99Å; L128-L236 HydrophobicContact CD2-CD1 4.3Å; L128-L236 HydrophobicContact CD2-CD2 4.12Å; L128-L236 HydrophobicContact CD2-CG 4.46Å; L128-L236 HydrophobicContact CG-CD2 4.15Å; I132-L236 HydrophobicContact CD1-CD2 3.94Å; I132-L236 HydrophobicContact CD1-CG 4.39Å; I132-L236 HydrophobicContact CG1-CD2 3.82Å; L138-L236 HydrophobicContact CD2-CB 4.25Å; L138-L236 HydrophobicContact CD2-CD2 3.63Å; L138-L236 WeakPolarHBondContact CD2-O 3.33Å; V143-L236 HydrophobicContact CG1-CB 3.96Å; V143-L236 HydrophobicContact CG1-CD1 4.48Å; V143-L236 HydrophobicContact CG2-CB 4.18Å; F146-L236 HydrophobicContact CB-CD1 4.12Å; F146-L236 HydrophobicContact CD2-CD2 4.43Å; I147-L236 HydrophobicContact CD1-CD1 3.71Å; I147-L236 HydrophobicContact CG1-CD1 4.16Å; I232-L236 HydrophobicContact CG2-CD1 4.05Å; I232-L236 HydrophobicContact CG2-CG 4.31Å; I232-L236 WeakPolarHBondContact O-CG 3.34Å; I232-L236 PolarHBondContact O-N 2.68Å; F233-L236 PolarHBondContact O-N 2.83Å
237	L	97.3	Very high	95.8	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-42.3	177.4	-70.2	172.8	0	0	0	112.6	V143 F233 A234 E235 L294 S295 H297 A298 A302 L306	V143-L237 HydrophobicContact CG1-CD2 4.03Å; V143-L237 HydrophobicContact CG1-CG 4.34Å; F233-L237 HydrophobicContact CD2-CD1 3.96Å; F233-L237 HydrophobicContact CD2-CG 4.01Å; F233-L237 HydrophobicContact CE2-CD1 3.62Å; F233-L237 HydrophobicContact CE2-CD2 4.11Å; F233-L237 HydrophobicContact CE2-CG 3.8Å; F233-L237 HydrophobicContact CZ-CD1 4.1Å; F233-L237 WeakPolarHBondContact O-CG 3.43Å; F233-L237 PolarHBondContact O-N 2.73Å; A234-L237 PolarHBondContact O-N 3.48Å; E235-L237 VanDerWaalsContact C-N 3.34Å; L237-L294 HydrophobicContact CB-CB 4.25Å; L237-L294 HydrophobicContact CB-CD1 4.33Å; L237-L294 HydrophobicContact CD1-CD1 4.43Å; L237-S295 WeakPolarHBondContact O-CB 3.26Å; L237-S295 PolarHBondContact O-OG 3.23Å; L237-H297 HydrophobicContact CD2-CB 4.15Å; L237-A298 HydrophobicContact CD1-CB 4.45Å; L237-A302 HydrophobicContact CD1-CB 4.39Å; L237-L306 HydrophobicContact CD1-CD2 4.36Å
238	G	96.1	Very high	95.3	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-102.1	-5.9	-171.9	0	0	0	0	0	115.9	A234 R240	A234-G238 PolarHBondContact O-N 3.23Å; G238-R240 PolarHBondContact O-N 3.22Å; G238-R240 VanDerWaalsContact O-N 3.11Å
239	R	95.4	Very high	95	Very high	76 Å²	76	33.4 Å²	33.4	29%	0.287	16%	0.163	S	C	.	.	S	Bend	trans	56.4	21.7	-176.4	-54.9	-68.8	-69.6	-170.5	-6.5	114.4	I131 I132 S134 L138 E235	I131-R239 VanDerWaalsContact O-CZ 3.3Å; I131-R239 PolarHBondContact O-NH1 3.09Å; I131-R239 VanDerWaalsContact O-NH1 3.1Å; I131-R239 PolarHBondContact O-NH2 3.3Å; I132-R239 VanDerWaalsContact C-CZ 3.44Å; I132-R239 VanDerWaalsContact C-NH2 3.3Å; I132-R239 VanDerWaalsContact CA-CZ 3.48Å; I132-R239 VanDerWaalsContact CA-NH1 3.33Å; I132-R239 PolarHBondContact O-NE 3.34Å; I132-R239 PolarHBondContact O-NH2 3.26Å; S134-R239 PolarHBondContact O-NH2 3.28Å; L138-R239 VanDerWaalsContact CB-NH1 3.33Å; L138-R239 VanDerWaalsContact CD2-NH1 3.32Å; E235-R239 WeakPolarHBondContact O-CA 3.49Å; E235-R239 PolarHBondContact O-N 3.04Å
240	R	94.5	Very high	94.8	Very high	148 Å²	148	37.6 Å²	37.6	56%	0.558	18%	0.183	S	C	*	.	S	Bend	trans	-143.4	143.5	-179.5	67.7	-174.3	-179.8	-152.3	-5.2	109.8	E235 G238 L242	E235-R240 WeakPolarHBondContact CA-O 3.35Å; E235-R240 WeakPolarHBondContact CG-O 3.26Å; G238-R240 PolarHBondContact O-N 3.22Å; G238-R240 VanDerWaalsContact O-N 3.11Å; R240-L242 PolarHBondContact O-N 2.73Å
241	I	95.8	Very high	94.5	Very high	36 Å²	36	37.6 Å²	37.6	19%	0.185	18%	0.183	C	C	.	.			trans	-55.7	127	174.3	-63.5	167.4	0	0	0	108.4	Y207 Q244	Y207-I241 HydrophobicContact CD2-CD1 3.79Å; Y207-I241 HydrophobicContact CD2-CG2 4.11Å; Y207-I241 HydrophobicContact CE2-CD1 3.9Å; Y207-I241 HydrophobicContact CG-CG2 3.97Å; I241-Q244 HydrophobicContact CB-CB 4.32Å; I241-Q244 HydrophobicContact CG2-CB 4.03Å
242	L	97.1	Very high	94.4	Very high	40 Å²	40	37.5 Å²	37.5	21%	0.209	18%	0.182	C	C	.	.	S	Bend	trans	-65.4	-44.3	-175.6	179.1	62.3	0	0	0	112.3	A234 R240 L258 L310	A234-L242 HydrophobicContact CB-CB 4.02Å; A234-L242 HydrophobicContact CB-CD1 4.1Å; A234-L242 HydrophobicContact CB-CD2 3.64Å; A234-L242 HydrophobicContact CB-CG 4.12Å; R240-L242 PolarHBondContact O-N 2.73Å; L242-L258 HydrophobicContact CD1-CD2 4.46Å; L242-L258 HydrophobicContact CD2-CD2 4.37Å; L242-L310 HydrophobicContact CD2-CD1 3.6Å
243	F	95.9	Very high	94.2	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	19%	0.191	C	C	.	.	S	Bend	trans	-127.1	90.3	-177.6	-55.5	-61.8	0	0	0	109.4	Y207 W227 Q251 L254 I255 L258 L310	Y207-F243 WeakPolarHBondContact CD1-O 3.47Å; W227-F243 HydrophobicContact CH2-CE2 4.25Å; W227-F243 HydrophobicContact CZ2-CD2 4.33Å; W227-F243 AromaticContact CZ2-CE2 3.72Å; W227-F243 HydrophobicContact CZ2-CE2 3.72Å; W227-F243 HydrophobicContact CZ2-CZ 4.43Å; F243-Q251 PolarHBondContact O-NE2 3.13Å; F243-Q251 PolarHBondContact O-OE1 3.3Å; F243-Q251 VanDerWaalsContact O-OE1 3.06Å; F243-L254 HydrophobicContact CD1-CB 3.97Å; F243-I255 HydrophobicContact CD1-CG1 4.15Å; F243-I255 HydrophobicContact CD2-CG1 4.02Å; F243-I255 HydrophobicContact CE1-CG1 4.1Å; F243-I255 HydrophobicContact CE2-CG1 3.98Å; F243-I255 HydrophobicContact CG-CG1 4.09Å; F243-I255 HydrophobicContact CZ-CG1 4Å; F243-L258 HydrophobicContact CE1-CB 4.06Å; F243-L258 HydrophobicContact CE1-CD2 3.79Å; F243-L258 HydrophobicContact CZ-CB 4.49Å; F243-L258 HydrophobicContact CZ-CD2 3.64Å; F243-L310 HydrophobicContact CE2-CD2 4.49Å
244	Q	93.1	Very high	94.1	Very high	117 Å²	117	41.8 Å²	41.8	55%	0.547	21%	0.205	S	C	.	.			trans	-101.8	101.5	-179.9	-171.6	176.2	17.7	0	0	110.1	Y207 I241 L254	Y207-Q244 HydrophobicContact CE1-CG 4.08Å; I241-Q244 HydrophobicContact CB-CB 4.32Å; I241-Q244 HydrophobicContact CG2-CB 4.03Å; Q244-L254 WeakPolarHBondContact O-CD1 3.47Å
245	A	90.5	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.			trans	-123	155.3	-179	0	0	0	0	0	114.1	Q206 Y207 E250 Q251 L254	Q206-A245 PolarHBondContact NE2-O 3.38Å; Y207-A245 VanDerWaalsContact CE1-O 3.27Å; Y207-A245 WeakPolarHBondContact CE1-O 3.03Å; A245-E250 HydrophobicContact CB-CB 3.91Å; A245-E250 HydrophobicContact CB-CG 3.77Å; A245-Q251 VanDerWaalsContact CB-CA 3.47Å; A245-Q251 HydrophobicContact CB-CB 3.8Å; A245-L254 HydrophobicContact CB-CD1 3.96Å
246	Q	87	Confident	94.1	Very high	162 Å²	162	41.6 Å²	41.6	76%	0.757	20%	0.204	S	C	*	.	S	Bend	trans	-78.9	-25.3	175.8	-56.9	-57.9	-34.8	0	0	112.6	Q206 E250	Q206-Q246 PolarHBondContact NE2-O 2.85Å; Q246-E250 WeakPolarHBondContact CA-OE2 3.47Å; Q246-E250 VanDerWaalsContact CB-OE2 3.3Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.3Å; Q246-E250 PolarHBondContact N-OE2 3.1Å
247	G	87.3	Confident	94.1	Very high	20 Å²	20	44.2 Å²	44.2	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	-147.8	171.1	179.6	0	0	0	0	0	115	Q206 V249 E250 Q251	Q206-G247 VanDerWaalsContact NE2-CA 3.31Å; Q206-G247 VanDerWaalsContact NE2-N 3.16Å; G247-V249 VanDerWaalsContact C-N 3.33Å; G247-V249 PolarHBondContact O-N 3.16Å; G247-E250 PolarHBondContact O-N 2.78Å; G247-Q251 WeakPolarHBondContact O-CB 3.29Å; G247-Q251 PolarHBondContact O-N 2.83Å
248	P	88	Confident	94.1	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-36.9	-174.8	-25	33.5	0	0	0	113.8	Q206 L214 Q251 L252 P426	Q206-P248 VanDerWaalsContact OE1-CD 3.26Å; L214-P248 HydrophobicContact CD2-CB 3.98Å; P248-Q251 WeakPolarHBondContact O-CB 3.49Å; P248-Q251 PolarHBondContact O-N 2.75Å; P248-L252 PolarHBondContact O-N 2.9Å; P248-P426 HydrophobicContact CG-CG 4.38Å
249	V	91.4	Very high	94.1	Very high	45 Å²	45	44.9 Å²	44.9	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-70.6	-41.4	179.3	178.4	0	0	0	0	111	G247 L252 N253 H277 W431	G247-V249 VanDerWaalsContact C-N 3.33Å; G247-V249 PolarHBondContact O-N 3.16Å; V249-L252 PolarHBondContact O-N 3.36Å; V249-N253 PolarHBondContact O-N 2.85Å; V249-N253 PolarHBondContact O-ND2 3.08Å; V249-H277 WeakPolarHBondContact CG1-NE2 3.23Å; V249-W431 HydrophobicContact CG1-CH2 4.45Å; V249-W431 HydrophobicContact CG2-CH2 4.04Å; V249-W431 HydrophobicContact CG2-CZ2 4.29Å; V249-W431 HydrophobicContact CG2-CZ3 4.39Å
250	E	92.6	Very high	94.2	Very high	88 Å²	88	41.5 Å²	41.5	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-40.8	174.7	-176.8	-173.6	-171.1	0	0	110.8	A245 Q246 G247 L252 N253 L254	A245-E250 HydrophobicContact CB-CB 3.91Å; A245-E250 HydrophobicContact CB-CG 3.77Å; Q246-E250 WeakPolarHBondContact CA-OE2 3.47Å; Q246-E250 VanDerWaalsContact CB-OE2 3.3Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.3Å; Q246-E250 PolarHBondContact N-OE2 3.1Å; G247-E250 PolarHBondContact O-N 2.78Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.38Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.09Å; E250-N253 VanDerWaalsContact O-N 3.09Å; E250-L254 WeakPolarHBondContact O-CG 3.32Å; E250-L254 PolarHBondContact O-N 3.19Å
251	Q	94	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-47.9	173.5	-171.5	73.5	21	0	0	111	Y207 L214 F243 A245 G247 P248 N253 L254 I255	Y207-Q251 PolarHBondContact O-NE2 3.06Å; Y207-Q251 VanDerWaalsContact O-NE2 3.09Å; L214-Q251 HydrophobicContact CD1-CB 4.1Å; L214-Q251 HydrophobicContact CD1-CG 3.59Å; L214-Q251 HydrophobicContact CD2-CB 4.27Å; L214-Q251 HydrophobicContact CD2-CG 4.17Å; F243-Q251 PolarHBondContact O-NE2 3.13Å; F243-Q251 PolarHBondContact O-OE1 3.3Å; F243-Q251 VanDerWaalsContact O-OE1 3.06Å; A245-Q251 VanDerWaalsContact CB-CA 3.47Å; A245-Q251 HydrophobicContact CB-CB 3.8Å; G247-Q251 WeakPolarHBondContact O-CB 3.29Å; G247-Q251 PolarHBondContact O-N 2.83Å; P248-Q251 WeakPolarHBondContact O-CB 3.49Å; P248-Q251 PolarHBondContact O-N 2.75Å; Q251-N253 VanDerWaalsContact C-N 3.32Å; Q251-N253 PolarHBondContact O-N 2.89Å; Q251-L254 PolarHBondContact O-N 3.06Å; Q251-I255 HydrophobicContact CG-CD1 4.47Å; Q251-I255 WeakPolarHBondContact O-CG1 3.34Å; Q251-I255 PolarHBondContact O-N 3.29Å; Q251-I255 VanDerWaalsContact O-N 3.13Å
252	L	94.9	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-40.3	176	-179.4	61.5	0	0	0	111.8	P211 M215 P248 V249 E250 I255 I256 V278 F312 W431	P211-L252 HydrophobicContact CB-CD1 4.49Å; M215-L252 HydrophobicContact CG-CD1 4.04Å; M215-L252 HydrophobicContact CG-CD2 3.9Å; M215-L252 HydrophobicContact SD-CD1 4.36Å; P248-L252 PolarHBondContact O-N 2.9Å; V249-L252 PolarHBondContact O-N 3.36Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.38Å; L252-I255 WeakPolarHBondContact O-CB 3.36Å; L252-I255 PolarHBondContact O-N 2.87Å; L252-I256 HydrophobicContact CD1-CD1 4.19Å; L252-I256 HydrophobicContact CD1-CG1 4.41Å; L252-I256 HydrophobicContact CG-CD1 3.92Å; L252-I256 VanDerWaalsContact O-CG1 3.28Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 2.99Å; L252-V278 HydrophobicContact CD2-CG2 4.01Å; L252-F312 HydrophobicContact CD1-CE2 4.34Å; L252-F312 HydrophobicContact CD1-CZ 4.05Å; L252-W431 HydrophobicContact CD2-CH2 4.09Å; L252-W431 HydrophobicContact CD2-CZ2 3.74Å
253	N	95.4	Very high	94.4	Very high	36 Å²	36	36 Å²	36	19%	0.193	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-41.4	177.2	-81.4	-55.8	0	0	0	112.9	V249 E250 Q251 I255 I256 D257 R284	V249-N253 PolarHBondContact O-N 2.85Å; V249-N253 PolarHBondContact O-ND2 3.08Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.09Å; E250-N253 VanDerWaalsContact O-N 3.09Å; Q251-N253 VanDerWaalsContact C-N 3.32Å; Q251-N253 PolarHBondContact O-N 2.89Å; N253-I255 VanDerWaalsContact C-N 3.27Å; N253-I255 PolarHBondContact O-N 3.41Å; N253-I256 PolarHBondContact O-N 2.72Å; N253-D257 WeakPolarHBondContact O-CB 3.44Å; N253-D257 VanDerWaalsContact O-CG 3.24Å; N253-D257 PolarHBondContact O-N 3.39Å; N253-R284 PolarHBondContact OD1-NH1 3.01Å; N253-R284 PolarHBondContact OD1-NH2 3.17Å
254	L	96.7	Very high	94.3	Very high	54 Å²	54	39.8 Å²	39.8	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-37.9	174.1	-67.3	179.5	0	0	0	112	F243 Q244 A245 E250 Q251 D257 L258	F243-L254 HydrophobicContact CD1-CB 3.97Å; Q244-L254 WeakPolarHBondContact O-CD1 3.47Å; A245-L254 HydrophobicContact CB-CD1 3.96Å; E250-L254 WeakPolarHBondContact O-CG 3.32Å; E250-L254 PolarHBondContact O-N 3.19Å; Q251-L254 PolarHBondContact O-N 3.06Å; L254-D257 PolarHBondContact O-N 3.48Å; L254-L258 PolarHBondContact O-N 3.03Å
255	I	97.4	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-49.5	174.6	-69	167.2	0	0	0	110.3	L214 W227 F243 Q251 L252 N253 D257 L258 L259 F312	L214-I255 HydrophobicContact CD1-CD1 3.59Å; W227-I255 HydrophobicContact CH2-CB 4.49Å; W227-I255 HydrophobicContact CH2-CD1 4.17Å; W227-I255 HydrophobicContact CH2-CG1 4.13Å; W227-I255 HydrophobicContact CH2-CG2 3.61Å; W227-I255 HydrophobicContact CZ2-CD1 3.53Å; W227-I255 HydrophobicContact CZ2-CG1 3.74Å; W227-I255 HydrophobicContact CZ2-CG2 4.1Å; F243-I255 HydrophobicContact CD1-CG1 4.15Å; F243-I255 HydrophobicContact CD2-CG1 4.02Å; F243-I255 HydrophobicContact CE1-CG1 4.1Å; F243-I255 HydrophobicContact CE2-CG1 3.98Å; F243-I255 HydrophobicContact CG-CG1 4.09Å; F243-I255 HydrophobicContact CZ-CG1 4Å; Q251-I255 HydrophobicContact CG-CD1 4.47Å; Q251-I255 WeakPolarHBondContact O-CG1 3.34Å; Q251-I255 PolarHBondContact O-N 3.29Å; Q251-I255 VanDerWaalsContact O-N 3.13Å; L252-I255 WeakPolarHBondContact O-CB 3.36Å; L252-I255 PolarHBondContact O-N 2.87Å; N253-I255 VanDerWaalsContact C-N 3.27Å; N253-I255 PolarHBondContact O-N 3.41Å; I255-D257 VanDerWaalsContact C-N 3.3Å; I255-D257 PolarHBondContact O-N 2.91Å; I255-L258 PolarHBondContact O-N 3.36Å; I255-L258 VanDerWaalsContact O-N 3.16Å; I255-L259 HydrophobicContact CG2-CD1 3.88Å; I255-L259 HydrophobicContact CG2-CG 4.32Å; I255-L259 PolarHBondContact O-N 3.48Å; I255-F312 HydrophobicContact CG2-CD2 4.29Å; I255-F312 HydrophobicContact CG2-CE2 4.15Å
256	I	97.6	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-35.1	179.4	-64.3	167	0	0	0	111.3	L252 N253 L258 G260 V278 R284 F312	L252-I256 HydrophobicContact CD1-CD1 4.19Å; L252-I256 HydrophobicContact CD1-CG1 4.41Å; L252-I256 HydrophobicContact CG-CD1 3.92Å; L252-I256 VanDerWaalsContact O-CG1 3.28Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 2.99Å; N253-I256 PolarHBondContact O-N 2.72Å; I256-L258 PolarHBondContact O-N 3.35Å; I256-G260 CarbonylContact O-C 3.57Å; I256-G260 WeakPolarHBondContact O-CA 3.37Å; I256-G260 PolarHBondContact O-N 2.88Å; I256-V278 HydrophobicContact CD1-CG1 4.09Å; I256-V278 HydrophobicContact CD1-CG2 3.75Å; I256-R284 HydrophobicContact CG2-CB 4.43Å; I256-R284 VanDerWaalsContact CG2-CZ 3.47Å; I256-F312 HydrophobicContact CG1-CE2 4.05Å
257	D	97.3	Very high	95.1	Very high	58 Å²	58	34.4 Å²	34.4	31%	0.31	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-26.3	177.1	-75.1	-14.6	0	0	0	113.2	N253 L254 I255 R284	N253-D257 WeakPolarHBondContact O-CB 3.44Å; N253-D257 VanDerWaalsContact O-CG 3.24Å; N253-D257 PolarHBondContact O-N 3.39Å; L254-D257 PolarHBondContact O-N 3.48Å; I255-D257 VanDerWaalsContact C-N 3.3Å; I255-D257 PolarHBondContact O-N 2.91Å; D257-R284 WeakPolarHBondContact OD1-CD 3.4Å; D257-R284 IonicContact OD1-CZ 3.99Å; D257-R284 IonicContact OD1-NE 2.77Å; D257-R284 IonicContact OD1-NH1 3.41Å; D257-R284 PolarHBondContact OD1-NH1 2.79Å
258	L	97.6	Very high	95.3	Very high	13 Å²	13	37 Å²	37	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-90.3	-50.3	175.3	-176.8	68.8	0	0	0	112.2	L242 F243 L254 I255 I256 K287 K290 L291	L242-L258 HydrophobicContact CD1-CD2 4.46Å; L242-L258 HydrophobicContact CD2-CD2 4.37Å; F243-L258 HydrophobicContact CE1-CB 4.06Å; F243-L258 HydrophobicContact CE1-CD2 3.79Å; F243-L258 HydrophobicContact CZ-CB 4.49Å; F243-L258 HydrophobicContact CZ-CD2 3.64Å; L254-L258 PolarHBondContact O-N 3.03Å; I255-L258 PolarHBondContact O-N 3.36Å; I255-L258 VanDerWaalsContact O-N 3.16Å; I256-L258 PolarHBondContact O-N 3.35Å; L258-K287 CarbonylContact O-C 3.56Å; L258-K287 PolarHBondContact O-N 2.9Å; L258-K290 HydrophobicContact CD1-CB 4.16Å; L258-L291 HydrophobicContact CD1-CD2 4.48Å; L258-L291 HydrophobicContact CD2-CD2 4.13Å
259	L	97.7	Very high	95.5	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-86.4	-17.2	-171.8	-59.1	-171.8	0	0	0	113.6	W227 I255 P286 L288 L310 F312	W227-L259 HydrophobicContact CH2-CD1 3.76Å; W227-L259 HydrophobicContact CZ3-CD1 3.81Å; I255-L259 HydrophobicContact CG2-CD1 3.88Å; I255-L259 HydrophobicContact CG2-CG 4.32Å; I255-L259 PolarHBondContact O-N 3.48Å; L259-P286 WeakPolarHBondContact O-CB 3.38Å; L259-P286 WeakPolarHBondContact O-CG 3.39Å; L259-L288 HydrophobicContact CD2-CD2 3.59Å; L259-L310 VanDerWaalsContact CD1-O 3.28Å; L259-L310 WeakPolarHBondContact CD1-O 3.29Å; L259-L310 HydrophobicContact CD2-CB 4.31Å; L259-L310 VanDerWaalsContact CD2-O 3.27Å; L259-L310 WeakPolarHBondContact CD2-O 3.28Å; L259-F312 HydrophobicContact CD1-CB 4.48Å; L259-F312 HydrophobicContact CD1-CD2 4.35Å
260	G	97.3	Very high	95.6	Very high	4 Å²	4	37.2 Å²	37.2	4%	0.041	20%	0.199	C	C	.	.			trans	90.9	167	-171.4	0	0	0	0	0	112.6	I256 P262 R284	I256-G260 CarbonylContact O-C 3.57Å; I256-G260 WeakPolarHBondContact O-CA 3.37Å; I256-G260 PolarHBondContact O-N 2.88Å; G260-P262 WeakPolarHBondContact O-CD 3.31Å; G260-R284 CarbonylContact C-O 3.46Å; G260-R284 WeakPolarHBondContact CA-O 3.49Å
261	T	97.4	Very high	95.6	Very high	27 Å²	27	34.7 Å²	34.7	17%	0.166	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-66	118.4	177.2	-61.8	0	0	0	0	110	V278 F283 R284	T261-V278 HydrophobicContact CG2-CG1 4.15Å; T261-F283 HydrophobicContact CG2-CD2 4.35Å; T261-R284 PolarHBondContact N-O 3.12Å; T261-R284 PolarHBondContact OG1-N 3.4Å
262	P	97.2	Very high	95.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.032	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68.6	148.2	179.1	33	-40.8	0	0	0	111.1	G260 E266 M267 V278 F312	G260-P262 WeakPolarHBondContact O-CD 3.31Å; P262-E266 WeakPolarHBondContact CA-OE2 3.46Å; P262-E266 HydrophobicContact CB-CB 3.99Å; P262-M267 HydrophobicContact CB-CG 3.86Å; P262-M267 HydrophobicContact CB-SD 4.44Å; P262-M267 HydrophobicContact CG-CE 4.2Å; P262-M267 HydrophobicContact CG-CG 3.63Å; P262-M267 HydrophobicContact CG-SD 3.63Å; P262-M267 WeakPolarHBondContact O-CE 3.26Å; P262-V278 HydrophobicContact CG-CG1 3.87Å; P262-F312 HydrophobicContact CB-CD1 3.6Å; P262-F312 HydrophobicContact CB-CD2 3.94Å; P262-F312 HydrophobicContact CB-CE1 3.69Å; P262-F312 HydrophobicContact CB-CE2 4.02Å; P262-F312 HydrophobicContact CB-CG 3.75Å; P262-F312 HydrophobicContact CB-CZ 3.91Å; P262-F312 HydrophobicContact CG-CD1 4.15Å; P262-F312 HydrophobicContact CG-CD2 4.15Å; P262-F312 HydrophobicContact CG-CE1 3.71Å; P262-F312 HydrophobicContact CG-CE2 3.72Å; P262-F312 HydrophobicContact CG-CG 4.37Å; P262-F312 HydrophobicContact CG-CZ 3.5Å; P262-F312 VanDerWaalsContact CG-CZ 3.5Å
263	T	96.1	Very high	95.4	Very high	76 Å²	76	44 Å²	44	47%	0.466	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-72	165.4	171.1	63	0	0	0	0	111.4	T265 E266 M267	T263-T265 PolarHBondContact O-N 3.49Å; T263-E266 WeakPolarHBondContact CB-OE2 3.18Å; T263-E266 WeakPolarHBondContact CG2-OE2 3.34Å; T263-E266 PolarHBondContact N-OE2 2.84Å; T263-E266 PolarHBondContact O-N 3.38Å; T263-E266 WeakPolarHBondContact OG1-CG 3.37Å; T263-E266 PolarHBondContact OG1-N 2.84Å; T263-E266 PolarHBondContact OG1-OE2 2.7Å; T263-M267 PolarHBondContact O-N 3.24Å; T263-M267 VanDerWaalsContact O-N 3.09Å
264	V	94.8	Very high	95.3	Very high	86 Å²	86	42.2 Å²	42.2	52%	0.521	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.2	175.4	178.9	0	0	0	0	111.3	M267 K268 L279	V264-M267 CarbonylContact O-C 3.48Å; V264-M267 PolarHBondContact O-N 2.86Å; V264-K268 PolarHBondContact O-N 2.92Å; V264-L279 HydrophobicContact CG2-CD1 4.42Å; V264-L279 HydrophobicContact CG2-CD2 4.41Å
265	T	95.2	Very high	95.2	Very high	100 Å²	100	43.2 Å²	43.2	61%	0.613	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-44.8	176.8	-51.6	0	0	0	0	111.7	T263 M267 K268	T263-T265 PolarHBondContact O-N 3.49Å; T265-M267 PolarHBondContact O-N 2.97Å; T265-K268 WeakPolarHBondContact O-CB 3.47Å; T265-K268 WeakPolarHBondContact O-CD 3.32Å; T265-K268 WeakPolarHBondContact O-CG 3.3Å; T265-K268 PolarHBondContact O-N 3.4Å
266	E	95.5	Very high	95.1	Very high	65 Å²	65	45.3 Å²	45.3	30%	0.304	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24	176.9	-67.5	165.7	122.2	0	0	112.1	P262 T263 F312 D313	P262-E266 WeakPolarHBondContact CA-OE2 3.46Å; P262-E266 HydrophobicContact CB-CB 3.99Å; T263-E266 WeakPolarHBondContact CB-OE2 3.18Å; T263-E266 WeakPolarHBondContact CG2-OE2 3.34Å; T263-E266 PolarHBondContact N-OE2 2.84Å; T263-E266 PolarHBondContact O-N 3.38Å; T263-E266 WeakPolarHBondContact OG1-CG 3.37Å; T263-E266 PolarHBondContact OG1-N 2.84Å; T263-E266 PolarHBondContact OG1-OE2 2.7Å; E266-F312 HydrophobicContact CB-CD1 4.31Å; E266-D313 HydrophobicContact CB-CB 4.26Å; E266-D313 HydrophobicContact CG-CB 4.06Å
267	M	94.7	Very high	94.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	22.2	175.6	-64.2	-171.3	-74.1	0	0	114.2	M215 P262 T263 V264 T265 Y269 A270 R275 V278 L279 F312	M215-M267 HydrophobicContact CE-CB 4.1Å; M215-M267 HydrophobicContact CE-CG 3.63Å; M215-M267 HydrophobicContact CE-SD 3.38Å; M215-M267 WeakPolarHBondContact CE-SD 3.4Å; M215-M267 HydrophobicContact SD-CG 4.25Å; P262-M267 HydrophobicContact CB-CG 3.86Å; P262-M267 HydrophobicContact CB-SD 4.44Å; P262-M267 HydrophobicContact CG-CE 4.2Å; P262-M267 HydrophobicContact CG-CG 3.63Å; P262-M267 HydrophobicContact CG-SD 3.63Å; P262-M267 WeakPolarHBondContact O-CE 3.26Å; T263-M267 PolarHBondContact O-N 3.24Å; T263-M267 VanDerWaalsContact O-N 3.09Å; V264-M267 CarbonylContact O-C 3.48Å; V264-M267 PolarHBondContact O-N 2.86Å; T265-M267 PolarHBondContact O-N 2.97Å; M267-Y269 PolarHBondContact O-N 2.81Å; M267-A270 HydrophobicContact CB-CB 4.14Å; M267-A270 VanDerWaalsContact O-CB 3.3Å; M267-A270 WeakPolarHBondContact O-CB 3.34Å; M267-A270 PolarHBondContact O-N 3.42Å; M267-A270 VanDerWaalsContact O-N 3.08Å; M267-R275 HydrophobicContact CE-CG 4.29Å; M267-R275 PolarHBondContact O-NH2 3.45Å; M267-V278 HydrophobicContact CE-CB 4.44Å; M267-V278 HydrophobicContact CE-CG1 4.06Å; M267-V278 HydrophobicContact SD-CB 3.79Å; M267-V278 HydrophobicContact SD-CG1 3.67Å; M267-V278 HydrophobicContact SD-CG2 4.17Å; M267-L279 HydrophobicContact CE-CD2 3.79Å; M267-L279 HydrophobicContact CE-CG 4.03Å; M267-F312 HydrophobicContact CG-CE1 4.05Å
268	K	93.1	Very high	94.8	Very high	75 Å²	75	45.3 Å²	45.3	33%	0.326	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.5	-176.8	65.8	-163	175.2	-150.2	0	114.3	V264 T265 D313 D315	V264-K268 PolarHBondContact O-N 2.92Å; T265-K268 WeakPolarHBondContact O-CB 3.47Å; T265-K268 WeakPolarHBondContact O-CD 3.32Å; T265-K268 WeakPolarHBondContact O-CG 3.3Å; T265-K268 PolarHBondContact O-N 3.4Å; K268-D313 WeakPolarHBondContact CE-OD1 3.47Å; K268-D313 VanDerWaalsContact NZ-CG 3.32Å; K268-D313 IonicContact NZ-OD1 2.78Å; K268-D313 PolarHBondContact NZ-OD1 3.22Å; K268-D313 IonicContact NZ-OD2 3.2Å; K268-D313 PolarHBondContact NZ-OD2 3.39Å; K268-D315 WeakPolarHBondContact CE-OD2 3.37Å; K268-D315 VanDerWaalsContact NZ-CG 3.3Å; K268-D315 IonicContact NZ-OD2 3.55Å; K268-D315 PolarHBondContact NZ-OD2 3.47Å
269	Y	92.3	Very high	94.7	Very high	56 Å²	56	49.2 Å²	49.2	22%	0.22	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.4	179.2	-59.8	-63.1	0	0	0	114.6	A217 M267 P314 D315	A217-Y269 VanDerWaalsContact CA-O 3.29Å; A217-Y269 WeakPolarHBondContact CA-O 3.44Å; A217-Y269 WeakPolarHBondContact CB-O 3.47Å; M267-Y269 PolarHBondContact O-N 2.81Å; Y269-P314 HydrophobicContact CD2-CG 3.63Å; Y269-P314 HydrophobicContact CE2-CG 3.76Å; Y269-D315 PolarHBondContact OH-OD1 3.37Å; Y269-D315 PolarHBondContact OH-OD2 3.43Å
270	A	92.9	Very high	94.5	Very high	11 Å²	11	56.1 Å²	56.1	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-67	144.6	-179.7	0	0	0	0	0	112.1	M215 M267 A274 R275	M215-A270 HydrophobicContact CB-CB 3.81Å; M215-A270 HydrophobicContact CE-CB 3.29Å; M215-A270 HydrophobicContact CG-CB 4.44Å; M215-A270 HydrophobicContact SD-CB 3.98Å; M267-A270 HydrophobicContact CB-CB 4.14Å; M267-A270 VanDerWaalsContact O-CB 3.3Å; M267-A270 WeakPolarHBondContact O-CB 3.34Å; M267-A270 PolarHBondContact O-N 3.42Å; M267-A270 VanDerWaalsContact O-N 3.08Å; A270-A274 HydrophobicContact CB-CB 4.42Å; A270-R275 HydrophobicContact CB-CB 4.42Å; A270-R275 PolarHBondContact O-NH2 3.15Å; A270-R275 VanDerWaalsContact O-NH2 3.16Å
271	C	92.8	Very high	94.3	Very high	36 Å²	36	57.4 Å²	57.4	24%	0.243	30%	0.303	C	S	.	.			trans	-66.9	162.3	165.6	76.5	0	0	0	0	110.8	M215 G273 A274 R275 W431	M215-C271 PolarHBondContact O-N 3.28Å; M215-C271 PolarHBondContact O-SG 3.04Å; C271-G273 VanDerWaalsContact C-N 3.35Å; C271-G273 PolarHBondContact O-N 3.24Å; C271-A274 PolarHBondContact O-N 3.34Å; C271-A274 PolarHBondContact SG-N 3.36Å; C271-R275 PolarHBondContact O-N 3.13Å; C271-W431 VanDerWaalsContact SG-CB 3.5Å; C271-W431 VanDerWaalsContact SG-CG 3.55Å
272	E	92.4	Very high	94.3	Very high	165 Å²	165	61.3 Å²	61.3	77%	0.771	33%	0.33	S	S	*	.	H	α-helix	trans	-61.2	-42	-176.6	-172.6	173.8	-176.9	0	0	112.5	A274 R275 S276	E272-A274 PolarHBondContact O-N 3.22Å; E272-R275 PolarHBondContact O-N 3.34Å; E272-S276 VanDerWaalsContact O-CB 3.29Å; E272-S276 WeakPolarHBondContact O-CB 3.39Å; E272-S276 PolarHBondContact O-N 3.36Å
273	G	92.6	Very high	94.2	Very high	29 Å²	29	68.7 Å²	68.7	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-59.4	-47.2	177.5	0	0	0	0	0	112.5	C271 S276 H277 W431	C271-G273 VanDerWaalsContact C-N 3.35Å; C271-G273 PolarHBondContact O-N 3.24Å; G273-S276 PolarHBondContact O-N 2.86Å; G273-H277 WeakPolarHBondContact O-CB 3.03Å; G273-H277 PolarHBondContact O-N 3.47Å; G273-W431 VanDerWaalsContact C-CE3 3.48Å
274	A	93	Very high	94.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177.4	0	0	0	0	0	112.2	M215 A270 C271 E272 S276 H277 V278 W431	M215-A274 HydrophobicContact CB-CB 3.75Å; M215-A274 HydrophobicContact CE-CB 4.03Å; M215-A274 HydrophobicContact CG-CB 4.05Å; A270-A274 HydrophobicContact CB-CB 4.42Å; C271-A274 PolarHBondContact O-N 3.34Å; C271-A274 PolarHBondContact SG-N 3.36Å; E272-A274 PolarHBondContact O-N 3.22Å; A274-S276 PolarHBondContact O-N 2.81Å; A274-H277 PolarHBondContact O-N 3.3Å; A274-V278 WeakPolarHBondContact O-CG2 3.36Å; A274-V278 PolarHBondContact O-N 3.21Å; A274-V278 VanDerWaalsContact O-N 3.08Å; A274-W431 VanDerWaalsContact CA-CD2 3.48Å; A274-W431 HydrophobicContact CB-CD2 3.65Å; A274-W431 HydrophobicContact CB-CE3 4.21Å; A274-W431 HydrophobicContact CB-CG 4.03Å; A274-W431 HydrophobicContact CB-CH2 4.24Å; A274-W431 HydrophobicContact CB-CZ2 3.68Å; A274-W431 HydrophobicContact CB-CZ3 4.5Å
275	R	94.8	Very high	94.4	Very high	74 Å²	74	66.8 Å²	66.8	28%	0.279	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-44.9	178.2	-172.4	-176.3	-63.8	135.6	4	111.3	M267 A270 C271 E272 V278 L279	M267-R275 HydrophobicContact CE-CG 4.29Å; M267-R275 PolarHBondContact O-NH2 3.45Å; A270-R275 HydrophobicContact CB-CB 4.42Å; A270-R275 PolarHBondContact O-NH2 3.15Å; A270-R275 VanDerWaalsContact O-NH2 3.16Å; C271-R275 PolarHBondContact O-N 3.13Å; E272-R275 PolarHBondContact O-N 3.34Å; R275-V278 PolarHBondContact O-N 2.87Å; R275-L279 HydrophobicContact CG-CD1 3.9Å; R275-L279 HydrophobicContact CG-CG 4.43Å; R275-L279 WeakPolarHBondContact O-CB 3.29Å; R275-L279 VanDerWaalsContact O-CG 3.31Å; R275-L279 WeakPolarHBondContact O-CG 3.04Å; R275-L279 PolarHBondContact O-N 2.88Å
276	S	94.5	Very high	94.5	Very high	44 Å²	44	65.9 Å²	65.9	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-43.2	178.4	-168.3	0	0	0	0	111.7	E272 G273 A274 L279 K280	E272-S276 VanDerWaalsContact O-CB 3.29Å; E272-S276 WeakPolarHBondContact O-CB 3.39Å; E272-S276 PolarHBondContact O-N 3.36Å; G273-S276 PolarHBondContact O-N 2.86Å; A274-S276 PolarHBondContact O-N 2.81Å; S276-L279 PolarHBondContact O-N 2.96Å; S276-K280 WeakPolarHBondContact O-CB 3.18Å; S276-K280 VanDerWaalsContact O-CG 3.25Å; S276-K280 WeakPolarHBondContact O-CG 3.12Å; S276-K280 PolarHBondContact O-N 2.88Å; S276-K280 WeakPolarHBondContact OG-CE 3.05Å; S276-K280 PolarHBondContact OG-NZ 3Å
277	H	93.8	Very high	94.5	Very high	58 Å²	58	66.4 Å²	66.4	27%	0.269	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-45.8	176.8	176.9	86.4	0	0	0	112.7	V249 G273 A274 S281 W431	V249-H277 WeakPolarHBondContact CG1-NE2 3.23Å; G273-H277 WeakPolarHBondContact O-CB 3.03Å; G273-H277 PolarHBondContact O-N 3.47Å; A274-H277 PolarHBondContact O-N 3.3Å; H277-S281 PolarHBondContact O-N 3.46Å; H277-S281 PolarHBondContact O-OG 3.1Å; H277-W431 HydrophobicContact CB-CE3 4.3Å; H277-W431 HydrophobicContact CB-CH2 3.76Å; H277-W431 HydrophobicContact CB-CZ3 3.3Å; H277-W431 AromaticContact CD2-CH2 3.63Å; H277-W431 AromaticContact CD2-CZ3 3.98Å; H277-W431 AromaticContact CG-CH2 3.68Å; H277-W431 AromaticContact CG-CZ3 3.52Å
278	V	95.1	Very high	94.6	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-45.6	179.2	174.6	0	0	0	0	111.4	M215 L252 I256 T261 P262 M267 A274 R275 K280 S281	M215-V278 HydrophobicContact CE-CG2 4.14Å; L252-V278 HydrophobicContact CD2-CG2 4.01Å; I256-V278 HydrophobicContact CD1-CG1 4.09Å; I256-V278 HydrophobicContact CD1-CG2 3.75Å; T261-V278 HydrophobicContact CG2-CG1 4.15Å; P262-V278 HydrophobicContact CG-CG1 3.87Å; M267-V278 HydrophobicContact CE-CB 4.44Å; M267-V278 HydrophobicContact CE-CG1 4.06Å; M267-V278 HydrophobicContact SD-CB 3.79Å; M267-V278 HydrophobicContact SD-CG1 3.67Å; M267-V278 HydrophobicContact SD-CG2 4.17Å; A274-V278 WeakPolarHBondContact O-CG2 3.36Å; A274-V278 PolarHBondContact O-N 3.21Å; A274-V278 VanDerWaalsContact O-N 3.08Å; R275-V278 PolarHBondContact O-N 2.87Å; V278-K280 VanDerWaalsContact C-N 3.34Å; V278-K280 PolarHBondContact O-N 2.81Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 3.23Å
279	L	94.5	Very high	94.7	Very high	95 Å²	95	72.7 Å²	72.7	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-70.7	-25.8	-177.5	-67.5	177	0	0	0	113.9	V264 M267 R275 S276 S281	V264-L279 HydrophobicContact CG2-CD1 4.42Å; V264-L279 HydrophobicContact CG2-CD2 4.41Å; M267-L279 HydrophobicContact CE-CD2 3.79Å; M267-L279 HydrophobicContact CE-CG 4.03Å; R275-L279 HydrophobicContact CG-CD1 3.9Å; R275-L279 HydrophobicContact CG-CG 4.43Å; R275-L279 WeakPolarHBondContact O-CB 3.29Å; R275-L279 VanDerWaalsContact O-CG 3.31Å; R275-L279 WeakPolarHBondContact O-CG 3.04Å; R275-L279 PolarHBondContact O-N 2.88Å; S276-L279 PolarHBondContact O-N 2.96Å; L279-S281 VanDerWaalsContact C-N 3.34Å
280	K	94.7	Very high	94.9	Very high	170 Å²	170	74.6 Å²	74.6	74%	0.739	39%	0.385	S	S	*	.	H	α-helix	trans	-78.5	-19.3	173.8	-74.3	173.7	-178.4	173.3	0	113.2	S276 V278	S276-K280 WeakPolarHBondContact O-CB 3.18Å; S276-K280 VanDerWaalsContact O-CG 3.25Å; S276-K280 WeakPolarHBondContact O-CG 3.12Å; S276-K280 PolarHBondContact O-N 2.88Å; S276-K280 WeakPolarHBondContact OG-CE 3.05Å; S276-K280 PolarHBondContact OG-NZ 3Å; V278-K280 VanDerWaalsContact C-N 3.34Å; V278-K280 PolarHBondContact O-N 2.81Å
281	S	93.4	Very high	95.1	Very high	31 Å²	31	74.2 Å²	74.2	22%	0.217	38%	0.381	C	S	.	.	S	Bend	trans	-76.9	151.5	179.8	-62.2	0	0	0	0	110.9	H277 V278 L279	H277-S281 PolarHBondContact O-N 3.46Å; H277-S281 PolarHBondContact O-OG 3.1Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 3.23Å; L279-S281 VanDerWaalsContact C-N 3.34Å
282	P	95.6	Very high	95.3	Very high	110 Å²	110	77 Å²	77	71%	0.714	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-55.1	143.1	174.2	-25.5	34.6	0	0	0	112.3	R284	P282-R284 PolarHBondContact O-N 3.37Å
283	F	97	Very high	95.5	Very high	159 Å²	159	73.2 Å²	73.2	70%	0.697	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-61.9	135.3	176	179.5	-96.3	0	0	0	111.2	T261	T261-F283 HydrophobicContact CG2-CD2 4.35Å
284	R	97.4	Very high	95.6	Very high	49 Å²	49	72.8 Å²	72.8	19%	0.185	37%	0.369	C	S	.	.			trans	-122.1	125.6	178.5	-71.4	175.6	-84.7	-155.8	-1.2	109.6	N253 I256 D257 G260 T261 P282	N253-R284 PolarHBondContact OD1-NH1 3.01Å; N253-R284 PolarHBondContact OD1-NH2 3.17Å; I256-R284 HydrophobicContact CG2-CB 4.43Å; I256-R284 VanDerWaalsContact CG2-CZ 3.47Å; D257-R284 WeakPolarHBondContact OD1-CD 3.4Å; D257-R284 IonicContact OD1-CZ 3.99Å; D257-R284 IonicContact OD1-NE 2.77Å; D257-R284 IonicContact OD1-NH1 3.41Å; D257-R284 PolarHBondContact OD1-NH1 2.79Å; G260-R284 CarbonylContact C-O 3.46Å; G260-R284 WeakPolarHBondContact CA-O 3.49Å; T261-R284 PolarHBondContact N-O 3.12Å; T261-R284 PolarHBondContact OG1-N 3.4Å; P282-R284 PolarHBondContact O-N 3.37Å
285	S	96.8	Very high	95.7	Very high	73 Å²	73	74 Å²	74	51%	0.51	38%	0.377	S	S	.	.			trans	-75.4	146.7	174.1	-49.6	0	0	0	0	111.2
286	P	96.9	Very high	95.7	Very high	82 Å²	82	76.5 Å²	76.5	53%	0.532	40%	0.404	S	S	.	.			trans	-57.8	141.1	176.4	-22.2	31.6	0	0	0	112.8	L259	L259-P286 WeakPolarHBondContact O-CB 3.38Å; L259-P286 WeakPolarHBondContact O-CG 3.39Å
287	K	97	Very high	95.6	Very high	76 Å²	76	78.2 Å²	78.2	33%	0.33	41%	0.407	S	S	.	.			trans	-124.9	36.8	-179.4	-61.1	179.2	-170.9	163.8	0	111.9	L258 F289 K290	L258-K287 CarbonylContact O-C 3.56Å; L258-K287 PolarHBondContact O-N 2.9Å; K287-F289 HydrophobicContact CB-CD1 4.42Å; K287-F289 HydrophobicContact CB-CE1 3.96Å; K287-F289 HydrophobicContact CG-CE1 4.22Å; K287-F289 PolarHBondContact O-N 3.4Å; K287-F289 VanDerWaalsContact O-N 3.08Å; K287-K290 HydrophobicContact CB-CD 4.05Å; K287-K290 HydrophobicContact CB-CG 4.27Å; K287-K290 VanDerWaalsContact O-CB 3.3Å; K287-K290 WeakPolarHBondContact O-CB 3.45Å; K287-K290 WeakPolarHBondContact O-CG 3.19Å; K287-K290 PolarHBondContact O-N 2.93Å
288	L	95.2	Very high	95.7	Very high	66 Å²	66	75.8 Å²	75.8	35%	0.346	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-56	-26.2	-179.4	-66.9	-179.6	0	0	0	113.6	L259 K290 L291 A307	L259-L288 HydrophobicContact CD2-CD2 3.59Å; L288-K290 PolarHBondContact O-N 2.76Å; L288-L291 HydrophobicContact CD2-CD1 4.18Å; L288-L291 VanDerWaalsContact O-CB 3.29Å; L288-L291 WeakPolarHBondContact O-CB 3.34Å; L288-L291 WeakPolarHBondContact O-CG 3.45Å; L288-L291 PolarHBondContact O-N 2.62Å; L288-A307 HydrophobicContact CD1-CB 4.49Å
289	F	95.3	Very high	95.8	Very high	141 Å²	141	78.5 Å²	78.5	62%	0.618	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-57	-22.8	174.7	75.3	-90.5	0	0	0	113.1	K287 L291 Y292	K287-F289 HydrophobicContact CB-CD1 4.42Å; K287-F289 HydrophobicContact CB-CE1 3.96Å; K287-F289 HydrophobicContact CG-CE1 4.22Å; K287-F289 PolarHBondContact O-N 3.4Å; K287-F289 VanDerWaalsContact O-N 3.08Å; F289-L291 PolarHBondContact O-N 3.45Å; F289-Y292 PolarHBondContact O-N 2.84Å
290	K	96.5	Very high	96	Very high	97 Å²	97	79.5 Å²	79.5	42%	0.422	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-63.3	-19.9	173.3	-69.8	-176.9	172.1	-174.9	0	113.2	L258 K287 L288 Y292 S293	L258-K290 HydrophobicContact CD1-CB 4.16Å; K287-K290 HydrophobicContact CB-CD 4.05Å; K287-K290 HydrophobicContact CB-CG 4.27Å; K287-K290 VanDerWaalsContact O-CB 3.3Å; K287-K290 WeakPolarHBondContact O-CB 3.45Å; K287-K290 WeakPolarHBondContact O-CG 3.19Å; K287-K290 PolarHBondContact O-N 2.93Å; L288-K290 PolarHBondContact O-N 2.76Å; K290-Y292 VanDerWaalsContact C-N 3.3Å; K290-Y292 PolarHBondContact O-N 3.36Å; K290-S293 PolarHBondContact O-N 3.35Å; K290-S293 PolarHBondContact O-OG 3.34Å
291	L	97.2	Very high	96.1	Very high	2 Å²	2	76 Å²	76	1%	0.01	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-68	-31.4	176.7	-63.6	178.3	0	0	0	111.9	L258 L288 F289 S293 L294 A298 V303 L306	L258-L291 HydrophobicContact CD1-CD2 4.48Å; L258-L291 HydrophobicContact CD2-CD2 4.13Å; L288-L291 HydrophobicContact CD2-CD1 4.18Å; L288-L291 VanDerWaalsContact O-CB 3.29Å; L288-L291 WeakPolarHBondContact O-CB 3.34Å; L288-L291 WeakPolarHBondContact O-CG 3.45Å; L288-L291 PolarHBondContact O-N 2.62Å; F289-L291 PolarHBondContact O-N 3.45Å; L291-S293 PolarHBondContact O-N 3.3Å; L291-L294 HydrophobicContact CB-CD1 4.47Å; L291-L294 HydrophobicContact CD2-CD1 4.02Å; L291-L294 WeakPolarHBondContact O-CB 3.26Å; L291-L294 WeakPolarHBondContact O-CD1 3.5Å; L291-L294 VanDerWaalsContact O-CG 3.24Å; L291-L294 WeakPolarHBondContact O-CG 3.18Å; L291-L294 PolarHBondContact O-N 3.16Å; L291-A298 WeakPolarHBondContact O-CB 3.47Å; L291-V303 HydrophobicContact CB-CG1 3.84Å; L291-V303 HydrophobicContact CB-CG2 4.13Å; L291-V303 HydrophobicContact CD1-CG1 4.25Å; L291-L306 HydrophobicContact CB-CD2 4.44Å; L291-L306 HydrophobicContact CD1-CD2 4.06Å; L291-L306 HydrophobicContact CD1-CG 4.14Å; L291-L306 HydrophobicContact CD2-CD2 3.88Å; L291-L306 HydrophobicContact CG-CD2 4.35Å
292	Y	97.6	Very high	96.3	Very high	96 Å²	96	74.5 Å²	74.5	38%	0.376	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-66.3	-19.7	174.6	-66.3	-84.9	0	0	0	113.1	F289 K290 Q300 V303	F289-Y292 PolarHBondContact O-N 2.84Å; K290-Y292 VanDerWaalsContact C-N 3.3Å; K290-Y292 PolarHBondContact O-N 3.36Å; Y292-Q300 VanDerWaalsContact OH-CD 3.3Å; Y292-Q300 PolarHBondContact OH-NE2 2.86Å; Y292-Q300 PolarHBondContact OH-OE1 3.46Å; Y292-V303 HydrophobicContact CD1-CB 4.3Å; Y292-V303 HydrophobicContact CD1-CG2 3.74Å; Y292-V303 HydrophobicContact CD2-CG1 4.1Å; Y292-V303 HydrophobicContact CD2-CG2 4.35Å; Y292-V303 HydrophobicContact CE1-CB 3.85Å; Y292-V303 HydrophobicContact CE1-CG1 4.16Å; Y292-V303 HydrophobicContact CE1-CG2 3.8Å; Y292-V303 HydrophobicContact CE2-CB 4.21Å; Y292-V303 HydrophobicContact CE2-CG1 3.59Å; Y292-V303 HydrophobicContact CE2-CG2 4.4Å; Y292-V303 HydrophobicContact CG-CG2 4.02Å
293	S	96.5	Very high	96.4	Very high	84 Å²	84	69.5 Å²	69.5	59%	0.587	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-91.7	5.3	178.2	72	0	0	0	0	114	K290 L291	K290-S293 PolarHBondContact O-N 3.35Å; K290-S293 PolarHBondContact O-OG 3.34Å; L291-S293 PolarHBondContact O-N 3.3Å
294	L	95.7	Very high	96.5	Very high	21 Å²	21	65.2 Å²	65.2	11%	0.11	34%	0.343	C	S	.	.	S	Bend	trans	-62.1	-47	175.5	-71	172.4	0	0	0	111.4	A234 L237 L291 A298 L306	A234-L294 HydrophobicContact CB-CD1 4.01Å; L237-L294 HydrophobicContact CB-CB 4.25Å; L237-L294 HydrophobicContact CB-CD1 4.33Å; L237-L294 HydrophobicContact CD1-CD1 4.43Å; L291-L294 HydrophobicContact CB-CD1 4.47Å; L291-L294 HydrophobicContact CD2-CD1 4.02Å; L291-L294 WeakPolarHBondContact O-CB 3.26Å; L291-L294 WeakPolarHBondContact O-CD1 3.5Å; L291-L294 VanDerWaalsContact O-CG 3.24Å; L291-L294 WeakPolarHBondContact O-CG 3.18Å; L291-L294 PolarHBondContact O-N 3.16Å; L294-A298 HydrophobicContact CB-CB 4.41Å; L294-L306 HydrophobicContact CD1-CD2 4.01Å
295	S	95.1	Very high	96.6	Very high	24 Å²	24	62.9 Å²	62.9	17%	0.168	33%	0.334	C	S	.	.			trans	-169	169.3	173	63.9	0	0	0	0	110.6	L237 H297 A298	L237-S295 WeakPolarHBondContact O-CB 3.26Å; L237-S295 PolarHBondContact O-OG 3.23Å; S295-H297 PolarHBondContact O-N 3.3Å; S295-H297 PolarHBondContact OG-N 3.28Å; S295-A298 WeakPolarHBondContact O-CB 3.35Å; S295-A298 PolarHBondContact O-N 3.13Å
296	P	93.7	Very high	96.6	Very high	128 Å²	128	59.4 Å²	59.4	83%	0.831	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.5	170.8	-24.8	35.6	0	0	0	114.5
297	H	92.9	Very high	96.7	Very high	80 Å²	80	57 Å²	57	37%	0.37	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.4	177.3	-57.2	-43	0	0	0	113.5	A140 L237 S295 T299	A140-H297 HydrophobicContact CB-CB 4.21Å; L237-H297 HydrophobicContact CD2-CB 4.15Å; S295-H297 PolarHBondContact O-N 3.3Å; S295-H297 PolarHBondContact OG-N 3.28Å; H297-T299 PolarHBondContact O-N 3.01Å
298	A	96.4	Very high	96.7	Very high	7 Å²	7	56.8 Å²	56.8	6%	0.058	30%	0.297	C	S	.	.			trans	-76.5	67.6	171.8	0	0	0	0	0	110.3	L237 L291 L294 S295 V303	L237-A298 HydrophobicContact CD1-CB 4.45Å; L291-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 HydrophobicContact CB-CB 4.41Å; S295-A298 WeakPolarHBondContact O-CB 3.35Å; S295-A298 PolarHBondContact O-N 3.13Å; A298-V303 HydrophobicContact CB-CG2 4.01Å
299	T	96.8	Very high	96.9	Very high	58 Å²	58	53.6 Å²	53.6	36%	0.356	28%	0.28	S	S	.	.			trans	-66.4	171.1	177.8	70.6	0	0	0	0	111.4	H297 E301 A302 V303	H297-T299 PolarHBondContact O-N 3.01Å; T299-E301 VanDerWaalsContact C-N 3.29Å; T299-E301 WeakPolarHBondContact CB-OE2 3.45Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 PolarHBondContact OG1-OE2 2.9Å; T299-A302 WeakPolarHBondContact O-CB 3.42Å; T299-A302 PolarHBondContact O-N 3.13Å; T299-A302 VanDerWaalsContact O-N 3.1Å; T299-A302 PolarHBondContact OG1-N 2.89Å; T299-V303 WeakPolarHBondContact O-CG2 3.44Å; T299-V303 PolarHBondContact O-N 3.5Å
300	Q	97.4	Very high	97.1	Very high	115 Å²	115	47 Å²	47	54%	0.537	25%	0.251	S	S	.	.	H	α-helix	trans	-53.3	-46.1	174.4	-176.2	61.1	48.1	0	0	111.9	Y292 A302 D304	Y292-Q300 VanDerWaalsContact OH-CD 3.3Å; Y292-Q300 PolarHBondContact OH-NE2 2.86Å; Y292-Q300 PolarHBondContact OH-OE1 3.46Å; Q300-A302 VanDerWaalsContact C-N 3.34Å; Q300-A302 PolarHBondContact O-N 3.14Å; Q300-D304 VanDerWaalsContact O-CB 3.26Å; Q300-D304 WeakPolarHBondContact O-CB 3.21Å; Q300-D304 PolarHBondContact O-N 3.32Å
301	E	97.6	Very high	97.1	Very high	97 Å²	97	43.8 Å²	43.8	45%	0.453	24%	0.24	S	C	.	.	H	α-helix	trans	-69.9	-31.9	178.8	-49.3	86.2	174.4	0	0	112.4	T299 L305 H326 Y328	T299-E301 VanDerWaalsContact C-N 3.29Å; T299-E301 WeakPolarHBondContact CB-OE2 3.45Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 PolarHBondContact OG1-OE2 2.9Å; E301-L305 PolarHBondContact O-N 3.35Å; E301-L305 VanDerWaalsContact O-N 3.16Å; E301-H326 PolarHBondContact O-CE1 3.48Å; E301-Y328 HydrophobicContact CB-CD2 4.13Å
302	A	98.2	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-48.4	176.7	0	0	0	0	0	110.9	F233 L237 T299 Q300 L306 Y328	F233-A302 WeakPolarHBondContact CE1-O 3.25Å; F233-A302 HydrophobicContact CZ-CB 4Å; L237-A302 HydrophobicContact CD1-CB 4.39Å; T299-A302 WeakPolarHBondContact O-CB 3.42Å; T299-A302 PolarHBondContact O-N 3.13Å; T299-A302 VanDerWaalsContact O-N 3.1Å; T299-A302 PolarHBondContact OG1-N 2.89Å; Q300-A302 VanDerWaalsContact C-N 3.34Å; Q300-A302 PolarHBondContact O-N 3.14Å; A302-L306 WeakPolarHBondContact O-CB 3.29Å; A302-L306 PolarHBondContact O-N 3.14Å; A302-Y328 HydrophobicContact CB-CD2 3.82Å; A302-Y328 HydrophobicContact CB-CE2 3.41Å; A302-Y328 VanDerWaalsContact CB-CE2 3.41Å
303	V	98.2	Very high	96.9	Very high	5 Å²	5	40 Å²	40	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-69.5	-35.6	-179.4	176.3	0	0	0	0	111.2	L291 Y292 A298 T299 L306 A307	L291-V303 HydrophobicContact CB-CG1 3.84Å; L291-V303 HydrophobicContact CB-CG2 4.13Å; L291-V303 HydrophobicContact CD1-CG1 4.25Å; Y292-V303 HydrophobicContact CD1-CB 4.3Å; Y292-V303 HydrophobicContact CD1-CG2 3.74Å; Y292-V303 HydrophobicContact CD2-CG1 4.1Å; Y292-V303 HydrophobicContact CD2-CG2 4.35Å; Y292-V303 HydrophobicContact CE1-CB 3.85Å; Y292-V303 HydrophobicContact CE1-CG1 4.16Å; Y292-V303 HydrophobicContact CE1-CG2 3.8Å; Y292-V303 HydrophobicContact CE2-CB 4.21Å; Y292-V303 HydrophobicContact CE2-CG1 3.59Å; Y292-V303 HydrophobicContact CE2-CG2 4.4Å; Y292-V303 HydrophobicContact CG-CG2 4.02Å; A298-V303 HydrophobicContact CB-CG2 4.01Å; T299-V303 WeakPolarHBondContact O-CG2 3.44Å; T299-V303 PolarHBondContact O-N 3.5Å; V303-L306 PolarHBondContact O-N 2.89Å; V303-A307 VanDerWaalsContact O-CB 3.29Å; V303-A307 WeakPolarHBondContact O-CB 3.35Å; V303-A307 PolarHBondContact O-N 3.26Å
304	D	98.2	Very high	96.8	Very high	69 Å²	69	36.5 Å²	36.5	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-60.5	-54	174.6	-171.9	68.8	0	0	0	111.6	Q300 L306 A307 Q308 H326	Q300-D304 VanDerWaalsContact O-CB 3.26Å; Q300-D304 WeakPolarHBondContact O-CB 3.21Å; Q300-D304 PolarHBondContact O-N 3.32Å; D304-L306 VanDerWaalsContact C-N 3.31Å; D304-L306 PolarHBondContact O-N 2.64Å; D304-A307 PolarHBondContact O-N 3.01Å; D304-Q308 WeakPolarHBondContact O-CG 3.48Å; D304-Q308 PolarHBondContact O-N 3.2Å; D304-Q308 PolarHBondContact OD2-NE2 3.39Å; D304-H326 IonicContact OD2-NE2 3.81Å; D304-H326 PolarHBondContact OD2-NE2 3.01Å; D304-H326 VanDerWaalsContact OD2-NE2 3.1Å
305	L	98.6	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-42.5	175.9	-179.5	57.6	0	0	0	112	F233 E301 A307 Q308 M309 A323 H326 Y328 L329	F233-L305 HydrophobicContact CE1-CB 4.22Å; F233-L305 HydrophobicContact CE1-CD2 4.07Å; F233-L305 HydrophobicContact CE1-CG 4.16Å; E301-L305 PolarHBondContact O-N 3.35Å; E301-L305 VanDerWaalsContact O-N 3.16Å; L305-A307 PolarHBondContact O-N 3.35Å; L305-Q308 PolarHBondContact O-N 3.36Å; L305-M309 HydrophobicContact CD1-CE 3.82Å; L305-M309 HydrophobicContact CD2-CE 4.13Å; L305-M309 HydrophobicContact CG-CE 3.85Å; L305-M309 WeakPolarHBondContact O-CG 3.34Å; L305-M309 PolarHBondContact O-N 2.97Å; L305-A323 HydrophobicContact CD1-CB 4.18Å; L305-H326 HydrophobicContact CD1-CB 3.81Å; L305-H326 HydrophobicContact CD2-CB 4.25Å; L305-H326 HydrophobicContact CG-CB 4.49Å; L305-Y328 HydrophobicContact CD2-CD1 3.95Å; L305-L329 HydrophobicContact CD2-CD1 4.17Å; L305-L329 HydrophobicContact CD2-CD2 4.17Å; L305-L329 HydrophobicContact CD2-CG 3.96Å
306	L	98.2	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.2	-178.2	58.3	0	0	0	111.9	G230 F233 A234 L237 L291 L294 A302 V303 D304 M309 L310	G230-L306 WeakPolarHBondContact O-CD1 3.18Å; F233-L306 HydrophobicContact CB-CD1 4.09Å; F233-L306 HydrophobicContact CD1-CB 4.02Å; F233-L306 HydrophobicContact CD1-CD1 3.94Å; F233-L306 HydrophobicContact CE1-CB 4.04Å; F233-L306 HydrophobicContact CG-CD1 4.26Å; A234-L306 HydrophobicContact CB-CD1 4.13Å; A234-L306 HydrophobicContact CB-CD2 3.95Å; L237-L306 HydrophobicContact CD1-CD2 4.36Å; L291-L306 HydrophobicContact CB-CD2 4.44Å; L291-L306 HydrophobicContact CD1-CD2 4.06Å; L291-L306 HydrophobicContact CD1-CG 4.14Å; L291-L306 HydrophobicContact CD2-CD2 3.88Å; L291-L306 HydrophobicContact CG-CD2 4.35Å; L294-L306 HydrophobicContact CD1-CD2 4.01Å; A302-L306 WeakPolarHBondContact O-CB 3.29Å; A302-L306 PolarHBondContact O-N 3.14Å; V303-L306 PolarHBondContact O-N 2.89Å; D304-L306 VanDerWaalsContact C-N 3.31Å; D304-L306 PolarHBondContact O-N 2.64Å; L306-M309 PolarHBondContact O-N 3.16Å; L306-L310 HydrophobicContact CD1-CD1 3.74Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 3.94Å; L306-L310 HydrophobicContact CG-CG 4.45Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 3.38Å
307	A	98	Very high	97.1	Very high	30 Å²	30	39.2 Å²	39.2	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-37	176.4	0	0	0	0	0	112.1	L288 V303 D304 L305 M309 L310	L288-A307 HydrophobicContact CD1-CB 4.49Å; V303-A307 VanDerWaalsContact O-CB 3.29Å; V303-A307 WeakPolarHBondContact O-CB 3.35Å; V303-A307 PolarHBondContact O-N 3.26Å; D304-A307 PolarHBondContact O-N 3.01Å; L305-A307 PolarHBondContact O-N 3.35Å; A307-M309 VanDerWaalsContact C-N 3.3Å; A307-M309 PolarHBondContact O-N 3.01Å; A307-L310 CarbonylContact O-C 3.58Å; A307-L310 PolarHBondContact O-N 2.96Å
308	Q	98.4	Very high	97.4	Very high	72 Å²	72	36.1 Å²	36.1	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-33.4	173.6	-70.1	-176.2	51.7	0	0	112.7	D304 L305 V318	D304-Q308 WeakPolarHBondContact O-CG 3.48Å; D304-Q308 PolarHBondContact O-N 3.2Å; D304-Q308 PolarHBondContact OD2-NE2 3.39Å; L305-Q308 PolarHBondContact O-N 3.36Å; Q308-V318 HydrophobicContact CB-CB 4.01Å; Q308-V318 HydrophobicContact CB-CG1 3.95Å; Q308-V318 WeakPolarHBondContact O-CG1 3.19Å; Q308-V318 PolarHBondContact O-N 3.46Å; Q308-V318 VanDerWaalsContact O-N 3.16Å
309	M	98.6	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-77.4	-39.5	173.9	-67.1	179.6	177.8	0	0	112.9	L151 V226 I229 F233 L305 L306 A307 C311 R317 V318 A323	L151-M309 HydrophobicContact CD1-CE 3.85Å; L151-M309 HydrophobicContact CD2-CE 3.93Å; L151-M309 HydrophobicContact CG-CE 4.34Å; V226-M309 HydrophobicContact CG1-CB 4.14Å; V226-M309 HydrophobicContact CG1-CG 3.89Å; I229-M309 HydrophobicContact CG2-CE 4.21Å; I229-M309 HydrophobicContact CG2-SD 4.08Å; F233-M309 HydrophobicContact CD1-SD 4.32Å; L305-M309 HydrophobicContact CD1-CE 3.82Å; L305-M309 HydrophobicContact CD2-CE 4.13Å; L305-M309 HydrophobicContact CG-CE 3.85Å; L305-M309 WeakPolarHBondContact O-CG 3.34Å; L305-M309 PolarHBondContact O-N 2.97Å; L306-M309 PolarHBondContact O-N 3.16Å; A307-M309 VanDerWaalsContact C-N 3.3Å; A307-M309 PolarHBondContact O-N 3.01Å; M309-C311 PolarHBondContact O-N 3.13Å; M309-C311 VanDerWaalsContact O-N 3.12Å; M309-R317 VanDerWaalsContact O-CD 3.23Å; M309-R317 WeakPolarHBondContact O-CD 3.2Å; M309-R317 VanDerWaalsContact O-CG 3.26Å; M309-R317 WeakPolarHBondContact O-CG 3.32Å; M309-V318 HydrophobicContact CG-CG1 3.85Å; M309-A323 HydrophobicContact CE-CB 4.02Å
310	L	98.4	Very high	97.5	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.19	C	C	.	.	S	Bend	trans	-87.8	53.4	179.8	-62.5	-179	0	0	0	111.5	W227 L242 F243 L259 L306 A307	W227-L310 HydrophobicContact CD2-CD2 4.32Å; W227-L310 HydrophobicContact CE3-CD2 4.24Å; W227-L310 HydrophobicContact CH2-CD2 4.31Å; W227-L310 HydrophobicContact CZ2-CD2 4.38Å; W227-L310 HydrophobicContact CZ3-CB 4.42Å; W227-L310 HydrophobicContact CZ3-CD2 4.25Å; L242-L310 HydrophobicContact CD2-CD1 3.6Å; F243-L310 HydrophobicContact CE2-CD2 4.49Å; L259-L310 VanDerWaalsContact CD1-O 3.28Å; L259-L310 WeakPolarHBondContact CD1-O 3.29Å; L259-L310 HydrophobicContact CD2-CB 4.31Å; L259-L310 VanDerWaalsContact CD2-O 3.27Å; L259-L310 WeakPolarHBondContact CD2-O 3.28Å; L306-L310 HydrophobicContact CD1-CD1 3.74Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 3.94Å; L306-L310 HydrophobicContact CG-CG 4.45Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 3.38Å; A307-L310 CarbonylContact O-C 3.58Å; A307-L310 PolarHBondContact O-N 2.96Å
311	C	96.9	Very high	97.5	Very high	28 Å²	28	34.1 Å²	34.1	19%	0.189	19%	0.185	C	C	.	.			trans	-96.2	136.4	175.2	-171	0	0	0	0	111.2	M309 R317	M309-C311 PolarHBondContact O-N 3.13Å; M309-C311 VanDerWaalsContact O-N 3.12Å; C311-R317 HydrophobicContact CB-CB 4.05Å; C311-R317 HydrophobicContact CB-CG 4.2Å; C311-R317 PolarHBondContact O-NE 2.66Å; C311-R317 VanDerWaalsContact O-NE 3.08Å; C311-R317 PolarHBondContact O-NH2 2.91Å
312	F	95.3	Very high	97.5	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	20%	0.195	C	C	.	.	S	Bend	trans	-68.5	-48.9	-179.2	-153.9	-71.7	0	0	0	111.6	P211 M215 L252 I255 I256 L259 P262 E266 M267 P314	P211-F312 HydrophobicContact CB-CE1 4.2Å; P211-F312 HydrophobicContact CB-CE2 4.16Å; P211-F312 HydrophobicContact CB-CZ 3.96Å; M215-F312 HydrophobicContact SD-CE1 3.59Å; M215-F312 VanDerWaalsContact SD-CE1 3.59Å; M215-F312 HydrophobicContact SD-CZ 3.64Å; L252-F312 HydrophobicContact CD1-CE2 4.34Å; L252-F312 HydrophobicContact CD1-CZ 4.05Å; I255-F312 HydrophobicContact CG2-CD2 4.29Å; I255-F312 HydrophobicContact CG2-CE2 4.15Å; I256-F312 HydrophobicContact CG1-CE2 4.05Å; L259-F312 HydrophobicContact CD1-CB 4.48Å; L259-F312 HydrophobicContact CD1-CD2 4.35Å; P262-F312 HydrophobicContact CB-CD1 3.6Å; P262-F312 HydrophobicContact CB-CD2 3.94Å; P262-F312 HydrophobicContact CB-CE1 3.69Å; P262-F312 HydrophobicContact CB-CE2 4.02Å; P262-F312 HydrophobicContact CB-CG 3.75Å; P262-F312 HydrophobicContact CB-CZ 3.91Å; P262-F312 HydrophobicContact CG-CD1 4.15Å; P262-F312 HydrophobicContact CG-CD2 4.15Å; P262-F312 HydrophobicContact CG-CE1 3.71Å; P262-F312 HydrophobicContact CG-CE2 3.72Å; P262-F312 HydrophobicContact CG-CG 4.37Å; P262-F312 HydrophobicContact CG-CZ 3.5Å; P262-F312 VanDerWaalsContact CG-CZ 3.5Å; E266-F312 HydrophobicContact CB-CD1 4.31Å; M267-F312 HydrophobicContact CG-CE1 4.05Å; F312-P314 VanDerWaalsContact O-CD 3.32Å; F312-P314 WeakPolarHBondContact O-CD 3.38Å
313	D	95.6	Very high	97.5	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	20%	0.195	C	C	.	.	S	Bend	trans	-73.5	115.1	174.5	-173	-11.8	0	0	0	110	E266 K268 D315 Q316 R317	E266-D313 HydrophobicContact CB-CB 4.26Å; E266-D313 HydrophobicContact CG-CB 4.06Å; K268-D313 WeakPolarHBondContact CE-OD1 3.47Å; K268-D313 VanDerWaalsContact NZ-CG 3.32Å; K268-D313 IonicContact NZ-OD1 2.78Å; K268-D313 PolarHBondContact NZ-OD1 3.22Å; K268-D313 IonicContact NZ-OD2 3.2Å; K268-D313 PolarHBondContact NZ-OD2 3.39Å; D313-D315 PolarHBondContact O-N 3.29Å; D313-D315 VanDerWaalsContact O-N 3.17Å; D313-D315 WeakPolarHBondContact OD1-CB 3.23Å; D313-D315 PolarHBondContact OD1-N 2.88Å; D313-Q316 HydrophobicContact CB-CB 4.16Å; D313-Q316 HydrophobicContact CB-CG 3.99Å; D313-Q316 PolarHBondContact O-N 3.07Å; D313-Q316 VanDerWaalsContact O-N 3.08Å; D313-R317 PolarHBondContact O-N 3.14Å; D313-R317 VanDerWaalsContact O-N 3.16Å
314	P	95.6	Very high	97.5	Very high	10 Å²	10	35.2 Å²	35.2	7%	0.065	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.3	179.2	26.3	-35.3	0	0	0	113.5	A223 Y269 F312 Q316	A223-P314 HydrophobicContact CB-CB 3.8Å; A223-P314 WeakPolarHBondContact CB-O 3.21Å; Y269-P314 HydrophobicContact CD2-CG 3.63Å; Y269-P314 HydrophobicContact CE2-CG 3.76Å; F312-P314 VanDerWaalsContact O-CD 3.32Å; F312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-Q316 VanDerWaalsContact C-N 3.35Å
315	D	95.1	Very high	97.5	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-18.8	178.1	-65.5	-10	0	0	0	112.7	K268 Y269 D313	K268-D315 WeakPolarHBondContact CE-OD2 3.37Å; K268-D315 VanDerWaalsContact NZ-CG 3.3Å; K268-D315 IonicContact NZ-OD2 3.55Å; K268-D315 PolarHBondContact NZ-OD2 3.47Å; Y269-D315 PolarHBondContact OH-OD1 3.37Å; Y269-D315 PolarHBondContact OH-OD2 3.43Å; D313-D315 PolarHBondContact O-N 3.29Å; D313-D315 VanDerWaalsContact O-N 3.17Å; D313-D315 WeakPolarHBondContact OD1-CB 3.23Å; D313-D315 PolarHBondContact OD1-N 2.88Å
316	Q	96.9	Very high	97.5	Very high	141 Å²	141	35.3 Å²	35.3	66%	0.659	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-10	174.7	-59.2	-57.2	-56.3	0	0	112.1	D313 P314	D313-Q316 HydrophobicContact CB-CB 4.16Å; D313-Q316 HydrophobicContact CB-CG 3.99Å; D313-Q316 PolarHBondContact O-N 3.07Å; D313-Q316 VanDerWaalsContact O-N 3.08Å; P314-Q316 VanDerWaalsContact C-N 3.35Å
317	R	97.8	Very high	97.5	Very high	13 Å²	13	39 Å²	39	5%	0.049	23%	0.23	C	C	.	.	S	Bend	trans	-67.6	135.1	177.5	-163.1	177.2	-59.7	140.7	5.9	110.1	E212 A223 V226 M309 C311 D313 G319	E212-R317 IonicContact OE1-CZ 2.87Å; E212-R317 IonicContact OE1-NH1 3.6Å; E212-R317 PolarHBondContact OE1-NH1 3.07Å; E212-R317 IonicContact OE1-NH2 3.54Å; E212-R317 IonicContact OE2-CZ 3.87Å; E212-R317 IonicContact OE2-NH1 3.63Å; E212-R317 PolarHBondContact OE2-NH1 3.45Å; E212-R317 IonicContact OE2-NH2 3.1Å; E212-R317 PolarHBondContact OE2-NH2 3.03Å; A223-R317 HydrophobicContact CB-CB 4.41Å; A223-R317 WeakPolarHBondContact O-CD 3.41Å; A223-R317 PolarHBondContact O-NH1 3.14Å; V226-R317 HydrophobicContact CG1-CG 4.18Å; M309-R317 VanDerWaalsContact O-CD 3.23Å; M309-R317 WeakPolarHBondContact O-CD 3.2Å; M309-R317 VanDerWaalsContact O-CG 3.26Å; M309-R317 WeakPolarHBondContact O-CG 3.32Å; C311-R317 HydrophobicContact CB-CB 4.05Å; C311-R317 HydrophobicContact CB-CG 4.2Å; C311-R317 PolarHBondContact O-NE 2.66Å; C311-R317 VanDerWaalsContact O-NE 3.08Å; C311-R317 PolarHBondContact O-NH2 2.91Å; D313-R317 PolarHBondContact O-N 3.14Å; D313-R317 VanDerWaalsContact O-N 3.16Å; R317-G319 PolarHBondContact O-N 2.92Å
318	V	98.3	Very high	97.5	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.085	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-56.6	133.7	-177.7	66.3	0	0	0	0	111.7	V226 Q308 M309 N322 A323	V226-V318 HydrophobicContact CG1-CG1 4.1Å; V226-V318 WeakPolarHBondContact CG1-O 3.24Å; Q308-V318 HydrophobicContact CB-CB 4.01Å; Q308-V318 HydrophobicContact CB-CG1 3.95Å; Q308-V318 WeakPolarHBondContact O-CG1 3.19Å; Q308-V318 PolarHBondContact O-N 3.46Å; Q308-V318 VanDerWaalsContact O-N 3.16Å; M309-V318 HydrophobicContact CG-CG1 3.85Å; V318-N322 HydrophobicContact CG2-CB 3.68Å; V318-A323 HydrophobicContact CG1-CB 4.08Å; V318-A323 HydrophobicContact CG2-CB 4.08Å
319	G	97.5	Very high	97.5	Very high	37 Å²	37	34.5 Å²	34.5	38%	0.381	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-71.2	153.9	172.6	0	0	0	0	0	111.7	R317 E321 N322 A323	R317-G319 PolarHBondContact O-N 2.92Å; G319-E321 VanDerWaalsContact C-N 3.28Å; G319-E321 PolarHBondContact O-N 3.25Å; G319-N322 PolarHBondContact O-N 2.98Å; G319-N322 VanDerWaalsContact O-N 3.13Å; G319-A323 WeakPolarHBondContact O-CB 3.37Å; G319-A323 PolarHBondContact O-N 2.91Å
320	V	98	Very high	97.5	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-37.6	-178	66.5	0	0	0	0	113.3	L151 V154 K155 A323 L324	L151-V320 HydrophobicContact CB-CG2 4.24Å; L151-V320 HydrophobicContact CD2-CG2 3.9Å; L151-V320 VanDerWaalsContact O-CG2 3.25Å; L151-V320 WeakPolarHBondContact O-CG2 3.18Å; V154-V320 HydrophobicContact CB-CG2 4.28Å; V154-V320 HydrophobicContact CG1-CG2 4.18Å; K155-V320 HydrophobicContact CB-CG1 4.13Å; K155-V320 HydrophobicContact CB-CG2 4.03Å; V320-A323 PolarHBondContact O-N 2.94Å; V320-L324 HydrophobicContact CG2-CD1 4.36Å; V320-L324 WeakPolarHBondContact O-CB 3.47Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.21Å
321	E	97.2	Very high	97.4	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	25%	0.25	S	C	.	.	H	α-helix	trans	-67.6	-41.7	177.8	-66.9	-178.1	163.1	0	0	111.4	K155 G319 L324 G325 R361	K155-E321 HydrophobicContact CD-CG 4.29Å; K155-E321 HydrophobicContact CG-CG 4.15Å; G319-E321 VanDerWaalsContact C-N 3.28Å; G319-E321 PolarHBondContact O-N 3.25Å; E321-L324 PolarHBondContact O-N 3.24Å; E321-G325 PolarHBondContact O-N 3.48Å; E321-R361 IonicContact OE1-CZ 3.55Å; E321-R361 IonicContact OE1-NE 3.68Å; E321-R361 PolarHBondContact OE1-NE 3.16Å; E321-R361 IonicContact OE1-NH2 2.77Å; E321-R361 PolarHBondContact OE1-NH2 3.46Å
322	N	98.1	Very high	97.4	Very high	124 Å²	124	43.1 Å²	43.1	66%	0.663	24%	0.241	S	C	*	.	H	α-helix	trans	-68.4	-40.3	176	-68.2	-9.9	0	0	0	111.7	V318 G319 L324 G325 H326	V318-N322 HydrophobicContact CG2-CB 3.68Å; G319-N322 PolarHBondContact O-N 2.98Å; G319-N322 VanDerWaalsContact O-N 3.13Å; N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 3.32Å; N322-G325 PolarHBondContact O-N 2.79Å; N322-G325 VanDerWaalsContact O-N 3.1Å; N322-H326 PolarHBondContact O-N 3.31Å
323	A	98.7	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-41.5	175.4	0	0	0	0	0	111.2	L151 L305 M309 V318 G319 V320 G325 H326 L329	L151-A323 HydrophobicContact CD1-CB 4.15Å; L151-A323 HydrophobicContact CD2-CB 4.01Å; L305-A323 HydrophobicContact CD1-CB 4.18Å; M309-A323 HydrophobicContact CE-CB 4.02Å; V318-A323 HydrophobicContact CG1-CB 4.08Å; V318-A323 HydrophobicContact CG2-CB 4.08Å; G319-A323 WeakPolarHBondContact O-CB 3.37Å; G319-A323 PolarHBondContact O-N 2.91Å; V320-A323 PolarHBondContact O-N 2.94Å; A323-G325 PolarHBondContact O-N 2.76Å; A323-H326 WeakPolarHBondContact O-CB 3.36Å; A323-H326 PolarHBondContact O-N 2.9Å; A323-H326 VanDerWaalsContact O-N 3.13Å; A323-L329 WeakPolarHBondContact O-CD1 3.48Å
324	L	98.4	Very high	97.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-34.6	173.4	-81.9	164.1	0	0	0	111.9	Y148 L151 R152 K155 V320 E321 N322 H326 R333	Y148-L324 HydrophobicContact CD2-CD2 3.89Å; Y148-L324 HydrophobicContact CE2-CD2 3.74Å; L151-L324 HydrophobicContact CB-CD1 4.42Å; L151-L324 HydrophobicContact CB-CD2 3.6Å; L151-L324 HydrophobicContact CB-CG 3.78Å; R152-L324 HydrophobicContact CB-CD2 4.47Å; K155-L324 HydrophobicContact CB-CD1 3.83Å; K155-L324 HydrophobicContact CD-CD1 3.65Å; K155-L324 HydrophobicContact CG-CD1 4.24Å; V320-L324 HydrophobicContact CG2-CD1 4.36Å; V320-L324 WeakPolarHBondContact O-CB 3.47Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.21Å; E321-L324 PolarHBondContact O-N 3.24Å; N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 3.32Å; L324-H326 VanDerWaalsContact C-N 3.26Å; L324-H326 PolarHBondContact O-N 3.12Å; L324-R333 PolarHBondContact O-NH2 3.18Å
325	G	98	Very high	97.6	Very high	53 Å²	53	54.1 Å²	54.1	55%	0.546	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.3	176.8	0	0	0	0	0	115.7	E321 N322 A323	E321-G325 PolarHBondContact O-N 3.48Å; N322-G325 PolarHBondContact O-N 2.79Å; N322-G325 VanDerWaalsContact O-N 3.1Å; A323-G325 PolarHBondContact O-N 2.76Å
326	H	98.6	Very high	97.7	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.083	27%	0.267	C	S	.	.	S	Bend	trans	-70.5	139.8	-174.4	-169.2	-86.6	0	0	0	113.1	E301 D304 L305 N322 A323 L324 Y328 L329	E301-H326 PolarHBondContact O-CE1 3.48Å; D304-H326 IonicContact OD2-NE2 3.81Å; D304-H326 PolarHBondContact OD2-NE2 3.01Å; D304-H326 VanDerWaalsContact OD2-NE2 3.1Å; L305-H326 HydrophobicContact CD1-CB 3.81Å; L305-H326 HydrophobicContact CD2-CB 4.25Å; L305-H326 HydrophobicContact CG-CB 4.49Å; N322-H326 PolarHBondContact O-N 3.31Å; A323-H326 WeakPolarHBondContact O-CB 3.36Å; A323-H326 PolarHBondContact O-N 2.9Å; A323-H326 VanDerWaalsContact O-N 3.13Å; L324-H326 VanDerWaalsContact C-N 3.26Å; L324-H326 PolarHBondContact O-N 3.12Å; H326-Y328 VanDerWaalsContact C-N 3.27Å; H326-Y328 VanDerWaalsContact ND1-CB 3.3Å; H326-Y328 WeakPolarHBondContact ND1-CB 3.44Å; H326-Y328 PolarHBondContact ND1-N 2.94Å; H326-Y328 VanDerWaalsContact ND1-N 3.15Å; H326-Y328 PolarHBondContact O-N 2.91Å; H326-Y328 VanDerWaalsContact O-N 3.14Å; H326-L329 PolarHBondContact O-N 2.67Å
327	P	98.2	Very high	97.7	Very high	78 Å²	78	43.8 Å²	43.8	51%	0.506	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-53.8	-36.6	-178	-30	36.1	0	0	0	114.9	L329 E330	P327-L329 PolarHBondContact O-N 2.8Å; P327-E330 WeakPolarHBondContact O-CB 3.19Å; P327-E330 WeakPolarHBondContact O-CG 3.12Å; P327-E330 PolarHBondContact O-N 2.94Å; P327-E330 VanDerWaalsContact O-N 3.1Å
328	Y	98.3	Very high	97.5	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-52	-31.2	176.5	-177.3	-104.8	0	0	0	113.8	K144 F233 E301 A302 L305 H326	K144-Y328 HydrophobicContact CG-CD1 4.49Å; K144-Y328 HydrophobicContact CG-CE1 3.86Å; K144-Y328 HydrophobicContact CG-CE2 4.14Å; F233-Y328 HydrophobicContact CE1-CD1 4.35Å; F233-Y328 HydrophobicContact CE1-CE1 4.15Å; F233-Y328 AromaticContact CE2-CE1 3.56Å; F233-Y328 HydrophobicContact CE2-CE1 3.56Å; F233-Y328 AromaticContact CE2-CZ 3.79Å; F233-Y328 AromaticContact CZ-CD1 3.74Å; F233-Y328 HydrophobicContact CZ-CD1 3.74Å; F233-Y328 AromaticContact CZ-CE1 3.18Å; F233-Y328 HydrophobicContact CZ-CE1 3.18Å; F233-Y328 HydrophobicContact CZ-CE2 4.43Å; F233-Y328 AromaticContact CZ-CZ 3.57Å; E301-Y328 HydrophobicContact CB-CD2 4.13Å; A302-Y328 HydrophobicContact CB-CD2 3.82Å; A302-Y328 HydrophobicContact CB-CE2 3.41Å; A302-Y328 VanDerWaalsContact CB-CE2 3.41Å; L305-Y328 HydrophobicContact CD2-CD1 3.95Å; H326-Y328 VanDerWaalsContact C-N 3.27Å; H326-Y328 VanDerWaalsContact ND1-CB 3.3Å; H326-Y328 WeakPolarHBondContact ND1-CB 3.44Å; H326-Y328 PolarHBondContact ND1-N 2.94Å; H326-Y328 VanDerWaalsContact ND1-N 3.15Å; H326-Y328 PolarHBondContact O-N 2.91Å; H326-Y328 VanDerWaalsContact O-N 3.14Å
329	L	98.2	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-92.8	-3.8	-175.1	-60.5	-179	0	0	0	114.2	I147 L151 L305 A323 H326 P327 E331 G332 R333	I147-L329 HydrophobicContact CB-CD2 4.11Å; I147-L329 HydrophobicContact CG2-CD2 3.71Å; L151-L329 HydrophobicContact CD1-CD1 3.36Å; L305-L329 HydrophobicContact CD2-CD1 4.17Å; L305-L329 HydrophobicContact CD2-CD2 4.17Å; L305-L329 HydrophobicContact CD2-CG 3.96Å; A323-L329 WeakPolarHBondContact O-CD1 3.48Å; H326-L329 PolarHBondContact O-N 2.67Å; P327-L329 PolarHBondContact O-N 2.8Å; L329-E331 PolarHBondContact O-N 3.45Å; L329-G332 PolarHBondContact O-N 3.45Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 2.85Å
330	E	97.5	Very high	97	Very high	112 Å²	112	49.7 Å²	49.7	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-58.2	-47.9	-176.7	-72.1	-178.1	-179.3	0	0	112.6	P327 R333 L334	P327-E330 WeakPolarHBondContact O-CB 3.19Å; P327-E330 WeakPolarHBondContact O-CG 3.12Å; P327-E330 PolarHBondContact O-N 2.94Å; P327-E330 VanDerWaalsContact O-N 3.1Å; E330-R333 WeakPolarHBondContact O-CB 3.48Å; E330-R333 PolarHBondContact O-N 3.36Å; E330-L334 WeakPolarHBondContact O-CB 3.24Å; E330-L334 PolarHBondContact O-N 2.79Å
331	E	96.9	Very high	96.9	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-40.8	177.3	-69	178.7	-176.7	0	0	112	K144 L329 R333 L334 R335	K144-E331 HydrophobicContact CD-CB 4.17Å; K144-E331 IonicContact NZ-OE1 3.24Å; K144-E331 IonicContact NZ-OE2 2.76Å; K144-E331 PolarHBondContact NZ-OE2 3.01Å; L329-E331 PolarHBondContact O-N 3.45Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 3.34Å; E331-L334 PolarHBondContact O-N 2.94Å; E331-R335 WeakPolarHBondContact O-CB 3.33Å; E331-R335 VanDerWaalsContact O-CG 3.3Å; E331-R335 WeakPolarHBondContact O-CG 3.39Å; E331-R335 PolarHBondContact O-N 3.23Å
332	G	97.5	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.7	0	0	0	0	0	112	L329 F336	L329-G332 PolarHBondContact O-N 3.45Å; G332-F336 WeakPolarHBondContact O-CB 3.18Å; G332-F336 PolarHBondContact O-N 2.72Å
333	R	97.9	Very high	96.5	Very high	47 Å²	47	45.1 Å²	45.1	18%	0.177	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-52	174	-177.6	179.8	-38.5	104.8	1	110.7	Y148 L324 L329 E330 E331 R335 F336 H337 E359	Y148-R333 HydrophobicContact CD2-CB 3.73Å; Y148-R333 HydrophobicContact CD2-CG 4.27Å; Y148-R333 HydrophobicContact CE1-CB 4.44Å; Y148-R333 HydrophobicContact CE1-CG 4.39Å; Y148-R333 HydrophobicContact CE2-CB 3.5Å; Y148-R333 VanDerWaalsContact CE2-CB 3.5Å; Y148-R333 HydrophobicContact CE2-CG 3.51Å; Y148-R333 HydrophobicContact CG-CB 4.32Å; L324-R333 PolarHBondContact O-NH2 3.18Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 2.85Å; E330-R333 WeakPolarHBondContact O-CB 3.48Å; E330-R333 PolarHBondContact O-N 3.36Å; E331-R333 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 3.34Å; R333-R335 PolarHBondContact O-N 3.05Å; R333-F336 PolarHBondContact O-N 2.93Å; R333-H337 PolarHBondContact O-CD2 3.19Å; R333-H337 PolarHBondContact O-N 2.87Å; R333-E359 IonicContact NE-OE1 2.63Å; R333-E359 PolarHBondContact NE-OE1 3.23Å
334	L	96.6	Very high	96.3	Very high	102 Å²	102	45.5 Å²	45.5	53%	0.534	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-46.1	-179	-179.4	62.1	0	0	0	111.6	E330 E331 H337 S338 Y354	E330-L334 WeakPolarHBondContact O-CB 3.24Å; E330-L334 PolarHBondContact O-N 2.79Å; E331-L334 PolarHBondContact O-N 2.94Å; L334-H337 PolarHBondContact O-N 3.32Å; L334-S338 VanDerWaalsContact O-CB 3.25Å; L334-S338 WeakPolarHBondContact O-CB 3.33Å; L334-S338 PolarHBondContact O-N 3.27Å; L334-S338 PolarHBondContact O-OG 2.75Å; L334-Y354 HydrophobicContact CD1-CE1 4.3Å
335	R	96.1	Very high	96	Very high	111 Å²	111	54.9 Å²	54.9	42%	0.419	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-50.1	177.8	-74.8	-177.1	-172.3	-69.3	5.1	111.3	D141 V145 E331 R333 H337 S338 C339	D141-R335 VanDerWaalsContact CG-NE 3.32Å; D141-R335 IonicContact OD1-CZ 3.26Å; D141-R335 VanDerWaalsContact OD1-CZ 3.26Å; D141-R335 IonicContact OD1-NE 3.21Å; D141-R335 PolarHBondContact OD1-NE 3.39Å; D141-R335 IonicContact OD1-NH2 2.88Å; D141-R335 PolarHBondContact OD1-NH2 3.41Å; D141-R335 IonicContact OD2-CZ 3.54Å; D141-R335 IonicContact OD2-NE 3.37Å; D141-R335 IonicContact OD2-NH2 2.95Å; D141-R335 PolarHBondContact OD2-NH2 2.77Å; V145-R335 HydrophobicContact CG2-CB 3.81Å; E331-R335 WeakPolarHBondContact O-CB 3.33Å; E331-R335 VanDerWaalsContact O-CG 3.3Å; E331-R335 WeakPolarHBondContact O-CG 3.39Å; E331-R335 PolarHBondContact O-N 3.23Å; R333-R335 PolarHBondContact O-N 3.05Å; R335-H337 VanDerWaalsContact C-N 3.33Å; R335-H337 PolarHBondContact O-N 3.5Å; R335-S338 PolarHBondContact O-N 2.81Å; R335-S338 PolarHBondContact O-OG 2.78Å; R335-C339 PolarHBondContact O-N 2.75Å; R335-C339 PolarHBondContact O-SG 3.21Å
336	F	97.3	Very high	95.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-46.8	178.3	178.8	-100.4	0	0	0	112.1	D97 Y148 Q149 L179 G332 R333 S338 M340 C341	D97-F336 HydrophobicContact CB-CZ 4.14Å; Y148-F336 HydrophobicContact CD1-CB 3.8Å; Y148-F336 HydrophobicContact CD1-CD1 4.17Å; Y148-F336 HydrophobicContact CD1-CG 4.01Å; Y148-F336 HydrophobicContact CE1-CB 3.9Å; Y148-F336 AromaticContact CE1-CD1 3.56Å; Y148-F336 HydrophobicContact CE1-CD1 3.56Å; Y148-F336 HydrophobicContact CE1-CE1 4.3Å; Y148-F336 AromaticContact CE1-CG 3.87Å; Y148-F336 HydrophobicContact CE1-CG 3.87Å; Q149-F336 HydrophobicContact CG-CD2 3.5Å; Q149-F336 HydrophobicContact CG-CE2 3.64Å; Q149-F336 HydrophobicContact CG-CG 4.26Å; Q149-F336 HydrophobicContact CG-CZ 4.47Å; L179-F336 HydrophobicContact CD1-CE2 3.92Å; G332-F336 WeakPolarHBondContact O-CB 3.18Å; G332-F336 PolarHBondContact O-N 2.72Å; R333-F336 PolarHBondContact O-N 2.93Å; F336-S338 VanDerWaalsContact C-N 3.33Å; F336-S338 PolarHBondContact O-N 2.77Å; F336-M340 HydrophobicContact CD2-CB 3.72Å; F336-M340 HydrophobicContact CD2-CG 4.47Å; F336-M340 HydrophobicContact CD2-SD 4.05Å; F336-M340 HydrophobicContact CE2-CB 3.95Å; F336-M340 HydrophobicContact CG-CB 4.44Å; F336-M340 WeakPolarHBondContact O-CA 3.49Å; F336-M340 WeakPolarHBondContact O-CB 3.43Å; F336-M340 PolarHBondContact O-N 3.39Å; F336-C341 HydrophobicContact CD1-CB 3.78Å; F336-C341 HydrophobicContact CE1-CB 3.3Å; F336-C341 HydrophobicContact CZ-CB 3.76Å; F336-C341 PolarHBondContact O-N 2.81Å; F336-C341 VanDerWaalsContact O-N 3.09Å
337	H	96.7	Very high	95.3	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-77.2	-16.3	-178.5	-72.8	-63.4	0	0	0	114.7	Y148 R333 L334 R335 C341 C343 R352 Y354 L358	Y148-H337 AromaticContact CE1-NE2 3.88Å; Y148-H337 AromaticContact CZ-NE2 3.72Å; Y148-H337 PolarHBondContact OH-NE2 3.19Å; R333-H337 PolarHBondContact O-CD2 3.19Å; R333-H337 PolarHBondContact O-N 2.87Å; L334-H337 PolarHBondContact O-N 3.32Å; R335-H337 VanDerWaalsContact C-N 3.33Å; R335-H337 PolarHBondContact O-N 3.5Å; H337-C341 PolarHBondContact ND1-SG 2.63Å; H337-C343 VanDerWaalsContact CE1-SG 3.6Å; H337-R352 PolarHBondContact O-NE 2.73Å; H337-R352 PolarHBondContact O-NH2 3.3Å; H337-Y354 HydrophobicContact CB-CD1 3.9Å; H337-Y354 HydrophobicContact CB-CE1 3.85Å; H337-L358 HydrophobicContact CB-CD2 4.49Å; H337-L358 PolarHBondContact CE1-O 3.21Å; H337-L358 PolarHBondContact NE2-O 3.44Å
338	S	93.5	Very high	94.9	Very high	49 Å²	49	60.3 Å²	60.3	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-76.4	-30.9	176.3	72.6	0	0	0	0	113.4	L334 R335 F336 R352	L334-S338 VanDerWaalsContact O-CB 3.25Å; L334-S338 WeakPolarHBondContact O-CB 3.33Å; L334-S338 PolarHBondContact O-N 3.27Å; L334-S338 PolarHBondContact O-OG 2.75Å; R335-S338 PolarHBondContact O-N 2.81Å; R335-S338 PolarHBondContact O-OG 2.78Å; F336-S338 VanDerWaalsContact C-N 3.33Å; F336-S338 PolarHBondContact O-N 2.77Å; S338-R352 VanDerWaalsContact C-CZ 3.44Å; S338-R352 WeakPolarHBondContact O-CD 3.33Å; S338-R352 VanDerWaalsContact O-CZ 3.22Å; S338-R352 PolarHBondContact O-NE 2.9Å; S338-R352 PolarHBondContact O-NH1 3.12Å
339	C	91.6	Very high	94.6	Very high	84 Å²	84	64.1 Å²	64.1	57%	0.568	36%	0.356	S	S	*	.	H	α-helix	trans	-145.8	-15.4	-171.1	64.2	0	0	0	0	117	R335	R335-C339 PolarHBondContact O-N 2.75Å; R335-C339 PolarHBondContact O-SG 3.21Å
340	M	94.4	Very high	94.2	Very high	55 Å²	55	66.8 Å²	66.8	27%	0.271	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-37.4	-170.9	-59.6	177.1	179.7	0	0	114.2	V145 N177 C178 F336	V145-M340 HydrophobicContact CG1-CE 4.21Å; V145-M340 HydrophobicContact CG1-SD 3.95Å; N177-M340 WeakPolarHBondContact O-CE 3.28Å; C178-M340 HydrophobicContact CB-CE 4.11Å; F336-M340 HydrophobicContact CD2-CB 3.72Å; F336-M340 HydrophobicContact CD2-CG 4.47Å; F336-M340 HydrophobicContact CD2-SD 4.05Å; F336-M340 HydrophobicContact CE2-CB 3.95Å; F336-M340 HydrophobicContact CG-CB 4.44Å; F336-M340 WeakPolarHBondContact O-CA 3.49Å; F336-M340 WeakPolarHBondContact O-CB 3.43Å; F336-M340 PolarHBondContact O-N 3.39Å
341	C	95.3	Very high	93.9	Very high	9 Å²	9	68 Å²	68	6%	0.061	39%	0.389	C	S	.	.			trans	-71.1	154.7	-171.6	78.3	0	0	0	0	113.5	F336 H337 C344 R352	F336-C341 HydrophobicContact CD1-CB 3.78Å; F336-C341 HydrophobicContact CE1-CB 3.3Å; F336-C341 HydrophobicContact CZ-CB 3.76Å; F336-C341 PolarHBondContact O-N 2.81Å; F336-C341 VanDerWaalsContact O-N 3.09Å; H337-C341 PolarHBondContact ND1-SG 2.63Å; C341-C344 WeakPolarHBondContact SG-CB 3.47Å; C341-C344 PolarHBondContact SG-N 3.23Å; C341-C344 VanDerWaalsContact SG-N 3.41Å; C341-C344 PolarHBondContact SG-SG 2.98Å; C341-R352 PolarHBondContact O-NH2 3.16Å; C341-R352 PolarHBondContact SG-NH2 2.69Å
342	S	93.5	Very high	93.7	Very high	87 Å²	87	66 Å²	66	61%	0.608	38%	0.378	S	S	*	.	S	Bend	trans	-90.7	-15.2	172	68.9	0	0	0	0	113.7	D97	D97-S342 VanDerWaalsContact OD1-CB 3.27Å; D97-S342 WeakPolarHBondContact OD1-CB 3.41Å; D97-S342 PolarHBondContact OD1-OG 3.48Å; D97-S342 PolarHBondContact OD2-N 3.31Å; D97-S342 PolarHBondContact OD2-OG 3.16Å
343	C	93.3	Very high	93.5	Very high	35 Å²	35	68.2 Å²	68.2	24%	0.236	40%	0.396	C	S	.	.	S	Bend	trans	-75.8	-33.3	-178.6	63.3	0	0	0	0	113.3	H337 A355	H337-C343 VanDerWaalsContact CE1-SG 3.6Å; C343-A355 HydrophobicContact CB-CB 3.95Å
344	C	94.5	Very high	93.3	Very high	7 Å²	7	71.5 Å²	71.5	5%	0.047	41%	0.409	C	S	.	.	S	Bend	trans	-88.9	152.8	175.2	-55.7	0	0	0	0	110.2	C341 A353 A355	C341-C344 WeakPolarHBondContact SG-CB 3.47Å; C341-C344 PolarHBondContact SG-N 3.23Å; C341-C344 VanDerWaalsContact SG-N 3.41Å; C341-C344 PolarHBondContact SG-SG 2.98Å; C344-A353 WeakPolarHBondContact CA-O 3.5Å; C344-A353 WeakPolarHBondContact CB-O 3.2Å; C344-A355 PolarHBondContact SG-N 3.05Å
345	R	92.2	Very high	93.2	Very high	197 Å²	197	68 Å²	68	74%	0.743	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	-176	-56.3	-176.8	-164.7	-172.4	4.7	110.5	A353	R345-A353 PolarHBondContact N-O 3.5Å; R345-A353 WeakPolarHBondContact O-CA 3.44Å; R345-A353 WeakPolarHBondContact O-CB 3.33Å; R345-A353 PolarHBondContact O-N 3.36Å
346	T	91.1	Very high	93.1	Very high	87 Å²	87	72.5 Å²	72.5	53%	0.534	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.4	166.3	-55.4	0	0	0	0	108.1	Q351	T346-Q351 CarbonylContact C-O 3.52Å; T346-Q351 WeakPolarHBondContact CA-O 3.5Å
347	T	90.4	Very high	92.9	Very high	55 Å²	55	77.4 Å²	77.4	34%	0.337	44%	0.444	S	S	.	.			trans	-67.1	166	176.3	62.9	0	0	0	0	110.4	S349 G350 Q351 A353	T347-S349 PolarHBondContact O-N 3.36Å; T347-S349 VanDerWaalsContact O-N 3.11Å; T347-S349 PolarHBondContact OG1-N 3.36Å; T347-S349 PolarHBondContact OG1-OG 2.62Å; T347-G350 PolarHBondContact O-N 3.32Å; T347-Q351 PolarHBondContact N-O 3.48Å; T347-Q351 PolarHBondContact OG1-N 2.78Å; T347-Q351 PolarHBondContact OG1-O 3.08Å; T347-Q351 VanDerWaalsContact OG1-O 3.12Å; T347-A353 HydrophobicContact CG2-CB 4.05Å
348	A	91.2	Very high	92.9	Very high	121 Å²	121	79.5 Å²	79.5	100%	1	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24	173.9	0	0	0	0	0	113.2	G350	A348-G350 VanDerWaalsContact C-N 3.27Å; A348-G350 PolarHBondContact O-N 3.44Å
349	S	92	Very high	93.1	Very high	87 Å²	87	78.3 Å²	78.3	61%	0.608	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	2.2	175.1	57.9	0	0	0	0	114.3	T347 Q351	T347-S349 PolarHBondContact O-N 3.36Å; T347-S349 VanDerWaalsContact O-N 3.11Å; T347-S349 PolarHBondContact OG1-N 3.36Å; T347-S349 PolarHBondContact OG1-OG 2.62Å; S349-Q351 VanDerWaalsContact C-N 3.27Å; S349-Q351 PolarHBondContact O-N 3.24Å
350	G	89.2	Confident	93.3	Very high	56 Å²	56	76 Å²	76	58%	0.577	43%	0.428	S	S	*	.	S	Bend	trans	79.6	4.5	-177.3	0	0	0	0	0	114.4	T347 A348	T347-G350 PolarHBondContact O-N 3.32Å; A348-G350 VanDerWaalsContact C-N 3.27Å; A348-G350 PolarHBondContact O-N 3.44Å
351	Q	90.2	Very high	93.4	Very high	137 Å²	137	80.6 Å²	80.6	64%	0.64	44%	0.442	S	S	*	.			trans	-84.7	139.7	177.4	-68.6	179.8	-35.4	0	0	111	T346 T347 S349 A353	T346-Q351 CarbonylContact C-O 3.52Å; T346-Q351 WeakPolarHBondContact CA-O 3.5Å; T347-Q351 PolarHBondContact N-O 3.48Å; T347-Q351 PolarHBondContact OG1-N 2.78Å; T347-Q351 PolarHBondContact OG1-O 3.08Å; T347-Q351 VanDerWaalsContact OG1-O 3.12Å; S349-Q351 VanDerWaalsContact C-N 3.27Å; S349-Q351 PolarHBondContact O-N 3.24Å; Q351-A353 PolarHBondContact O-N 3.33Å
352	R	92.9	Very high	93.4	Very high	59 Å²	59	81.1 Å²	81.1	22%	0.223	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.9	176.1	-169.1	73	171.9	-150.1	7.8	109.8	H337 S338 C341 Y354	H337-R352 PolarHBondContact O-NE 2.73Å; H337-R352 PolarHBondContact O-NH2 3.3Å; S338-R352 VanDerWaalsContact C-CZ 3.44Å; S338-R352 WeakPolarHBondContact O-CD 3.33Å; S338-R352 VanDerWaalsContact O-CZ 3.22Å; S338-R352 PolarHBondContact O-NE 2.9Å; S338-R352 PolarHBondContact O-NH1 3.12Å; C341-R352 PolarHBondContact O-NH2 3.16Å; C341-R352 PolarHBondContact SG-NH2 2.69Å; R352-Y354 HydrophobicContact CB-CE2 4.4Å; R352-Y354 HydrophobicContact CG-CE1 4.37Å; R352-Y354 HydrophobicContact CG-CE2 4.28Å
353	A	93.4	Very high	93.4	Very high	47 Å²	47	82.4 Å²	82.4	39%	0.388	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.6	170	0	0	0	0	0	109.8	C344 R345 T347 Q351	C344-A353 WeakPolarHBondContact CA-O 3.5Å; C344-A353 WeakPolarHBondContact CB-O 3.2Å; R345-A353 PolarHBondContact N-O 3.5Å; R345-A353 WeakPolarHBondContact O-CA 3.44Å; R345-A353 WeakPolarHBondContact O-CB 3.33Å; R345-A353 PolarHBondContact O-N 3.36Å; T347-A353 HydrophobicContact CG2-CB 4.05Å; Q351-A353 PolarHBondContact O-N 3.33Å
354	Y	94.8	Very high	93.4	Very high	116 Å²	116	87.9 Å²	87.9	46%	0.455	48%	0.475	S	S	.	.			trans	-77.6	143	-179.2	-65.2	-89.7	0	0	0	111.5	L334 H337 R352	L334-Y354 HydrophobicContact CD1-CE1 4.3Å; H337-Y354 HydrophobicContact CB-CD1 3.9Å; H337-Y354 HydrophobicContact CB-CE1 3.85Å; R352-Y354 HydrophobicContact CB-CE2 4.4Å; R352-Y354 HydrophobicContact CG-CE1 4.37Å; R352-Y354 HydrophobicContact CG-CE2 4.28Å
355	A	94.1	Very high	93.2	Very high	27 Å²	27	89.8 Å²	89.8	22%	0.223	49%	0.491	C	S	.	.			trans	-66.8	151.1	173.3	0	0	0	0	0	110.8	C343 C344 L358	C343-A355 HydrophobicContact CB-CB 3.95Å; C344-A355 PolarHBondContact SG-N 3.05Å; A355-L358 HydrophobicContact CB-CD2 4.33Å; A355-L358 WeakPolarHBondContact O-CD2 3.38Å
356	Q	93.1	Very high	93.2	Very high	207 Å²	207	81.1 Å²	81.1	97%	0.967	46%	0.459	S	S	*	.	S	Bend	trans	-64.5	-42.5	172	-69.9	-179	-10.8	0	0	111.4
357	E	94.2	Very high	93.1	Very high	103 Å²	103	81.3 Å²	81.3	48%	0.481	46%	0.457	S	S	.	.			trans	-105.7	103.7	174.5	-179.1	55.3	-116.1	0	0	109.6	K155 E359 P360	K155-E357 IonicContact NZ-OE1 2.77Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E357-E359 WeakPolarHBondContact OE1-CA 3.38Å; E357-E359 PolarHBondContact OE1-N 3.38Å; E357-E359 VanDerWaalsContact OE1-O 3.07Å; E357-P360 HydrophobicContact CG-CB 4.24Å
358	L	96.7	Very high	92.8	Very high	45 Å²	45	80 Å²	80	24%	0.236	45%	0.448	C	S	.	.	S	Bend	trans	-76.5	-25.5	-179.2	-67	-175.1	0	0	0	112.2	R152 H337 A355 P360	R152-L358 PolarHBondContact NE-O 3.26Å; R152-L358 PolarHBondContact NH2-O 2.92Å; H337-L358 HydrophobicContact CB-CD2 4.49Å; H337-L358 PolarHBondContact CE1-O 3.21Å; H337-L358 PolarHBondContact NE2-O 3.44Å; A355-L358 HydrophobicContact CB-CD2 4.33Å; A355-L358 WeakPolarHBondContact O-CD2 3.38Å; L358-P360 WeakPolarHBondContact O-CD 3.41Å
359	E	97.1	Very high	92.6	Very high	23 Å²	23	78.7 Å²	78.7	11%	0.107	42%	0.421	C	S	.	.	S	Bend	trans	-129.9	66.4	-169.3	-68.2	163.5	-170	0	0	109.5	Y148 R152 K155 R333 E357	Y148-E359 HydrophobicContact CE2-CG 4.46Å; Y148-E359 VanDerWaalsContact CE2-OE1 3.29Å; Y148-E359 WeakPolarHBondContact CE2-OE1 3.39Å; Y148-E359 WeakPolarHBondContact OH-CG 3.35Å; Y148-E359 PolarHBondContact OH-OE1 3.44Å; Y148-E359 VanDerWaalsContact OH-OE1 3.12Å; R152-E359 HydrophobicContact CG-CG 4.3Å; K155-E359 HydrophobicContact CD-CB 3.91Å; K155-E359 WeakPolarHBondContact CE-O 3.41Å; K155-E359 PolarHBondContact NZ-O 2.72Å; K155-E359 IonicContact NZ-OE2 3.95Å; R333-E359 IonicContact NE-OE1 2.63Å; R333-E359 PolarHBondContact NE-OE1 3.23Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E357-E359 WeakPolarHBondContact OE1-CA 3.38Å; E357-E359 PolarHBondContact OE1-N 3.38Å; E357-E359 VanDerWaalsContact OE1-O 3.07Å
360	P	95.3	Very high	92.5	Very high	37 Å²	37	75.7 Å²	75.7	24%	0.24	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.2	146	-168.6	27.7	-36	0	0	0	111.9	R152 Y156 E357 L358	R152-P360 VanDerWaalsContact NH2-CD 3.26Å; Y156-P360 WeakPolarHBondContact CD2-O 3.26Å; E357-P360 HydrophobicContact CG-CB 4.24Å; L358-P360 WeakPolarHBondContact O-CD 3.41Å
361	R	96.5	Very high	92.2	Very high	151 Å²	151	74.8 Å²	74.8	57%	0.57	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-82.6	162	168.9	-70.5	-179.8	143.5	-143.7	-3.1	111.1	S159 E321	S159-R361 WeakPolarHBondContact OG-CA 3.33Å; S159-R361 WeakPolarHBondContact OG-CB 3.26Å; E321-R361 IonicContact OE1-CZ 3.55Å; E321-R361 IonicContact OE1-NE 3.68Å; E321-R361 PolarHBondContact OE1-NE 3.16Å; E321-R361 IonicContact OE1-NH2 2.77Å; E321-R361 PolarHBondContact OE1-NH2 3.46Å
362	H	96.4	Very high	92	Very high	19 Å²	19	71.6 Å²	71.6	9%	0.088	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-65	140.1	168	-163.6	-76.5	0	0	0	109.6	S93 F94 Y156 S159 A160 E364	S93-H362 PolarHBondContact OG-NE2 3.01Å; F94-H362 AromaticContact CD1-NE2 3.99Å; Y156-H362 HydrophobicContact CD2-CB 4.24Å; Y156-H362 HydrophobicContact CE1-CB 4.42Å; Y156-H362 AromaticContact CE1-CD2 3.44Å; Y156-H362 VanDerWaalsContact CE1-CD2 3.44Å; Y156-H362 WeakPolarHBondContact CE1-CD2 3.47Å; Y156-H362 VanDerWaalsContact CE2-CA 3.45Å; Y156-H362 HydrophobicContact CE2-CB 3.92Å; Y156-H362 AromaticContact CZ-CD2 3.27Å; Y156-H362 AromaticContact CZ-CG 3.86Å; Y156-H362 PolarHBondContact OH-CD2 2.85Å; S159-H362 PolarHBondContact OG-N 2.99Å; A160-H362 HydrophobicContact CB-CB 3.48Å; A160-H362 VanDerWaalsContact CB-CB 3.48Å; H362-E364 VanDerWaalsContact C-N 3.29Å; H362-E364 PolarHBondContact CE1-O 3.44Å; H362-E364 PolarHBondContact ND1-N 3.31Å; H362-E364 PolarHBondContact ND1-O 2.9Å; H362-E364 PolarHBondContact O-N 2.91Å
363	S	93.4	Very high	91.7	Very high	114 Å²	114	72.3 Å²	72.3	80%	0.797	37%	0.367	S	S	*	.	S	Bend	trans	-68.8	-28.2	-173.9	52.8	0	0	0	0	113.5
364	E	92.1	Very high	91.5	Very high	151 Å²	151	70.2 Å²	70.2	71%	0.706	35%	0.349	S	S	*	.	S	Bend	trans	-143.9	121.2	-177.1	-175.3	-179.4	-176.7	0	0	109.8	H362	H362-E364 VanDerWaalsContact C-N 3.29Å; H362-E364 PolarHBondContact CE1-O 3.44Å; H362-E364 PolarHBondContact ND1-N 3.31Å; H362-E364 PolarHBondContact ND1-O 2.9Å; H362-E364 PolarHBondContact O-N 2.91Å
365	A	92	Very high	90.9	Very high	47 Å²	47	67.9 Å²	67.9	39%	0.388	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.2	146.6	176.8	0	0	0	0	0	110.9	N161 D367	N161-A365 HydrophobicContact CB-CB 4.43Å; A365-D367 PolarHBondContact O-N 2.99Å
366	F	91.2	Very high	90.7	Very high	14 Å²	14	75.7 Å²	75.7	6%	0.061	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67.5	128.9	175.3	-85.2	-104.4	0	0	0	110.4	R89 M90 S93 F94 A160 I162 I190 V368	R89-F366 HydrophobicContact CG-CE1 4.14Å; M90-F366 HydrophobicContact CB-CZ 4.49Å; M90-F366 HydrophobicContact CG-CE1 4.08Å; M90-F366 HydrophobicContact CG-CZ 4.07Å; S93-F366 VanDerWaalsContact OG-CE2 3.29Å; S93-F366 WeakPolarHBondContact OG-CE2 3.46Å; S93-F366 WeakPolarHBondContact OG-CZ 3.41Å; F94-F366 HydrophobicContact CE1-CE2 4.42Å; A160-F366 HydrophobicContact CB-CD2 4.23Å; A160-F366 WeakPolarHBondContact O-CB 3.38Å; A160-F366 PolarHBondContact O-N 2.94Å; I162-F366 HydrophobicContact CD1-CD2 3.59Å; I162-F366 HydrophobicContact CD1-CE2 3.62Å; I162-F366 HydrophobicContact CD1-CG 4.25Å; I162-F366 HydrophobicContact CD1-CZ 4.3Å; I162-F366 HydrophobicContact CG1-CD2 4.06Å; I162-F366 HydrophobicContact CG1-CG 4.42Å; I190-F366 HydrophobicContact CD1-CB 3.83Å; I190-F366 HydrophobicContact CD1-CD1 3.9Å; I190-F366 HydrophobicContact CD1-CG 4.28Å; I190-F366 HydrophobicContact CG1-CB 3.82Å; I190-F366 HydrophobicContact CG1-CD1 4.34Å; I190-F366 HydrophobicContact CG1-CG 4.35Å; I190-F366 HydrophobicContact CG2-CB 4.07Å; F366-V368 PolarHBondContact O-N 2.97Å
367	D	88.5	Confident	90.7	Very high	92 Å²	92	66.8 Å²	66.8	49%	0.492	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-66.5	122.1	176.5	-178.5	10.1	0	0	0	111.2	A365 E369 W370	A365-D367 PolarHBondContact O-N 2.99Å; D367-E369 VanDerWaalsContact C-N 3.26Å; D367-E369 PolarHBondContact O-N 3.25Å; D367-E369 WeakPolarHBondContact OD1-CB 3.05Å; D367-E369 PolarHBondContact OD1-N 3.42Å; D367-W370 HydrophobicContact CB-CB 4.38Å; D367-W370 WeakPolarHBondContact O-CB 3.19Å; D367-W370 PolarHBondContact O-N 3.39Å
368	V	84.8	Confident	90.6	Very high	27 Å²	27	64.3 Å²	64.3	16%	0.164	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-32.2	177.2	-177.5	0	0	0	0	110.6	I190 D192 F366 W370 E371 K372	I190-V368 HydrophobicContact CG2-CG2 4.05Å; D192-V368 HydrophobicContact CB-CG1 4.34Å; D192-V368 HydrophobicContact CB-CG2 3.84Å; F366-V368 PolarHBondContact O-N 2.97Å; V368-W370 VanDerWaalsContact C-N 3.26Å; V368-W370 PolarHBondContact O-N 3.33Å; V368-E371 WeakPolarHBondContact O-CB 3.37Å; V368-E371 PolarHBondContact O-N 3.07Å; V368-E371 VanDerWaalsContact O-N 3.13Å; V368-K372 PolarHBondContact O-N 3.42Å
369	E	86.5	Confident	90.4	Very high	93 Å²	93	65 Å²	65	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-30.3	177.4	-68.9	-56.6	129.6	0	0	111.8	D367 E371 K372 E373	D367-E369 VanDerWaalsContact C-N 3.26Å; D367-E369 PolarHBondContact O-N 3.25Å; D367-E369 WeakPolarHBondContact OD1-CB 3.05Å; D367-E369 PolarHBondContact OD1-N 3.42Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E369-E371 PolarHBondContact O-N 2.81Å; E369-K372 CarbonylContact O-C 3.45Å; E369-K372 PolarHBondContact O-N 2.72Å; E369-K372 WeakPolarHBondContact OE1-CD 3.26Å; E369-K372 WeakPolarHBondContact OE1-CE 3.35Å; E369-K372 IonicContact OE1-NZ 3.75Å; E369-K372 PolarHBondContact OE1-NZ 2.54Å; E369-E373 WeakPolarHBondContact O-CB 3.37Å; E369-E373 PolarHBondContact O-N 2.64Å
370	W	89.4	Confident	90.1	Very high	24 Å²	24	71.3 Å²	71.3	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-37.4	172.7	-178	91.2	0	0	0	112.2	F85 R86 I190 D367 V368 E373 L374	F85-W370 HydrophobicContact CD1-CH2 4.4Å; F85-W370 AromaticContact CD1-CZ2 3.96Å; F85-W370 HydrophobicContact CD1-CZ2 3.96Å; F85-W370 AromaticContact CE1-CZ2 3.77Å; F85-W370 HydrophobicContact CE1-CZ2 3.77Å; F85-W370 HydrophobicContact CG-CZ2 4.41Å; F85-W370 HydrophobicContact CZ-CZ2 4.08Å; R86-W370 HydrophobicContact CB-CH2 4.44Å; R86-W370 HydrophobicContact CB-CZ3 4.49Å; R86-W370 HydrophobicContact CG-CZ3 4.49Å; I190-W370 HydrophobicContact CD1-CE3 3.86Å; I190-W370 HydrophobicContact CD1-CZ3 4.22Å; D367-W370 HydrophobicContact CB-CB 4.38Å; D367-W370 WeakPolarHBondContact O-CB 3.19Å; D367-W370 PolarHBondContact O-N 3.39Å; V368-W370 VanDerWaalsContact C-N 3.26Å; V368-W370 PolarHBondContact O-N 3.33Å; W370-E373 PolarHBondContact O-N 3.05Å; W370-L374 HydrophobicContact CH2-CD1 4.11Å; W370-L374 HydrophobicContact CH2-CD2 3.91Å; W370-L374 HydrophobicContact CH2-CG 4.49Å; W370-L374 HydrophobicContact CZ2-CD1 4.15Å; W370-L374 HydrophobicContact CZ3-CD2 3.85Å; W370-L374 VanDerWaalsContact O-CB 3.25Å; W370-L374 WeakPolarHBondContact O-CB 3.37Å; W370-L374 PolarHBondContact O-N 2.98Å
371	E	84	Confident	90	Very high	37 Å²	37	72.8 Å²	72.8	17%	0.173	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-41.1	175.7	-174.1	62.1	-145.7	0	0	111.1	R86 I190 V368 E369 L374 S375	R86-E371 IonicContact CZ-OE1 2.7Å; R86-E371 IonicContact CZ-OE2 2.73Å; R86-E371 VanDerWaalsContact CZ-OE2 3.31Å; R86-E371 IonicContact NE-OE2 3.31Å; R86-E371 IonicContact NH1-OE1 2.7Å; R86-E371 PolarHBondContact NH1-OE1 3.44Å; R86-E371 IonicContact NH1-OE2 2.75Å; R86-E371 PolarHBondContact NH1-OE2 2.93Å; R86-E371 IonicContact NH2-OE1 3.78Å; R86-E371 PolarHBondContact NH2-OE1 3.21Å; R86-E371 IonicContact NH2-OE2 3.19Å; I190-E371 HydrophobicContact CB-CB 4.38Å; I190-E371 HydrophobicContact CD1-CB 4.13Å; V368-E371 WeakPolarHBondContact O-CB 3.37Å; V368-E371 PolarHBondContact O-N 3.07Å; V368-E371 VanDerWaalsContact O-N 3.13Å; E369-E371 VanDerWaalsContact C-N 3.3Å; E369-E371 PolarHBondContact O-N 2.81Å; E371-L374 WeakPolarHBondContact O-CB 3.32Å; E371-L374 PolarHBondContact O-N 3.4Å; E371-S375 PolarHBondContact O-N 2.93Å; E371-S375 VanDerWaalsContact O-N 3.09Å
372	K	84.9	Confident	89.9	Confident	71 Å²	71	65.6 Å²	65.6	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-41.1	174.4	-66.8	176.2	-172.1	166.3	0	111.3	V368 E369 S375	V368-K372 PolarHBondContact O-N 3.42Å; E369-K372 CarbonylContact O-C 3.45Å; E369-K372 PolarHBondContact O-N 2.72Å; E369-K372 WeakPolarHBondContact OE1-CD 3.26Å; E369-K372 WeakPolarHBondContact OE1-CE 3.35Å; E369-K372 IonicContact OE1-NZ 3.75Å; E369-K372 PolarHBondContact OE1-NZ 2.54Å; K372-S375 WeakPolarHBondContact O-CB 3.34Å; K372-S375 PolarHBondContact O-N 3.09Å; K372-S375 PolarHBondContact O-OG 3.46Å
373	E	88.4	Confident	89.8	Confident	74 Å²	74	68.1 Å²	68.1	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-48.4	175.1	-167.8	-164.4	176.3	0	0	110.7	E369 W370 S375 R376 R385	E369-E373 WeakPolarHBondContact O-CB 3.37Å; E369-E373 PolarHBondContact O-N 2.64Å; W370-E373 PolarHBondContact O-N 3.05Å; E373-S375 PolarHBondContact O-N 3.02Å; E373-S375 VanDerWaalsContact O-N 3.13Å; E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.45Å; E373-R385 IonicContact OE1-CZ 3.83Å; E373-R385 IonicContact OE1-NH1 2.62Å; E373-R385 PolarHBondContact OE1-NH1 2.73Å; E373-R385 IonicContact OE1-NH2 3.41Å; E373-R385 PolarHBondContact OE1-NH2 3.25Å; E373-R385 IonicContact OE2-NH1 3.77Å; E373-R385 PolarHBondContact OE2-NH1 3.14Å
374	L	87.6	Confident	89.8	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-51.9	-39.4	176.4	-172.8	75.7	0	0	0	110.7	K82 F85 W370 E371 R376 L377 L382	K82-L374 HydrophobicContact CB-CD2 4Å; K82-L374 HydrophobicContact CB-CG 4.31Å; K82-L374 WeakPolarHBondContact CE-O 3.47Å; K82-L374 HydrophobicContact CG-CD2 4.28Å; K82-L374 HydrophobicContact CG-CG 4.04Å; F85-L374 HydrophobicContact CD1-CD1 3.59Å; F85-L374 HydrophobicContact CE1-CD1 4.21Å; W370-L374 HydrophobicContact CH2-CD1 4.11Å; W370-L374 HydrophobicContact CH2-CD2 3.91Å; W370-L374 HydrophobicContact CH2-CG 4.49Å; W370-L374 HydrophobicContact CZ2-CD1 4.15Å; W370-L374 HydrophobicContact CZ3-CD2 3.85Å; W370-L374 VanDerWaalsContact O-CB 3.25Å; W370-L374 WeakPolarHBondContact O-CB 3.37Å; W370-L374 PolarHBondContact O-N 2.98Å; E371-L374 WeakPolarHBondContact O-CB 3.32Å; E371-L374 PolarHBondContact O-N 3.4Å; L374-R376 PolarHBondContact O-N 3.14Å; L374-L377 HydrophobicContact CD1-CD1 4.41Å; L374-L377 PolarHBondContact O-N 3.2Å; L374-L382 HydrophobicContact CD1-CD2 3.39Å; L374-L382 HydrophobicContact CG-CD2 4.43Å
375	S	83.7	Confident	89.9	Confident	67 Å²	67	62.4 Å²	62.4	47%	0.469	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-27.7	179.1	84.8	0	0	0	0	114.3	K82 E371 K372 E373	K82-S375 PolarHBondContact NZ-O 3.48Å; E371-S375 PolarHBondContact O-N 2.93Å; E371-S375 VanDerWaalsContact O-N 3.09Å; K372-S375 WeakPolarHBondContact O-CB 3.34Å; K372-S375 PolarHBondContact O-N 3.09Å; K372-S375 PolarHBondContact O-OG 3.46Å; E373-S375 PolarHBondContact O-N 3.02Å; E373-S375 VanDerWaalsContact O-N 3.13Å
376	R	89.7	Confident	90	Very high	192 Å²	192	60.1 Å²	60.1	73%	0.725	29%	0.285	S	S	*	.	H	α-helix	trans	-91.4	-14.4	-175.4	-61.3	174.4	-173.3	157.9	3.8	114	E373 L374	E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.45Å; L374-R376 PolarHBondContact O-N 3.14Å
377	L	91.8	Very high	90.2	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.105	29%	0.293	C	S	.	.			trans	-73.8	143.8	-175	-62.8	174.9	0	0	0	112.8	L374 D381 L382	L374-L377 HydrophobicContact CD1-CD1 4.41Å; L374-L377 PolarHBondContact O-N 3.2Å; L377-D381 HydrophobicContact CB-CB 4.31Å; L377-D381 HydrophobicContact CD2-CB 4.1Å; L377-L382 HydrophobicContact CB-CD1 4.46Å; L377-L382 HydrophobicContact CB-CD2 4.05Å; L377-L382 HydrophobicContact CB-CG 3.83Å; L377-L382 HydrophobicContact CD1-CD2 3.64Å; L377-L382 HydrophobicContact CD1-CG 4.24Å
378	S	92.9	Very high	90.5	Very high	50 Å²	50	62.2 Å²	62.2	35%	0.35	29%	0.289	S	S	.	.			trans	-74	165.2	168.4	78.3	0	0	0	0	111.1	F380 D381 L382	S378-F380 PolarHBondContact O-N 3.33Å; S378-F380 PolarHBondContact OG-N 2.83Å; S378-D381 WeakPolarHBondContact CB-OD2 3.35Å; S378-D381 PolarHBondContact N-OD2 3.14Å; S378-D381 PolarHBondContact O-N 3.47Å; S378-D381 PolarHBondContact OG-N 3.41Å; S378-D381 PolarHBondContact OG-OD2 2.97Å; S378-L382 WeakPolarHBondContact O-CG 3.44Å; S378-L382 PolarHBondContact O-N 3.16Å
379	M	91.8	Very high	91	Very high	60 Å²	60	63.2 Å²	63.2	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-31.5	174	-174.5	179.8	-71.4	0	0	112.3	F75 N77 L78 R383	F75-M379 HydrophobicContact CB-SD 4.02Å; F75-M379 HydrophobicContact CD1-CG 4.22Å; F75-M379 WeakPolarHBondContact O-CE 3.49Å; N77-M379 VanDerWaalsContact C-CE 3.49Å; L78-M379 HydrophobicContact CD1-CB 4.38Å; M379-R383 PolarHBondContact O-N 3.14Å
380	F	91.7	Very high	91.5	Very high	155 Å²	155	58.9 Å²	58.9	68%	0.68	27%	0.271	S	S	*	.	H	α-helix	trans	-67	-48.5	177	179.7	-94.5	0	0	0	111	S378 L382 R383 D384	S378-F380 PolarHBondContact O-N 3.33Å; S378-F380 PolarHBondContact OG-N 2.83Å; F380-L382 VanDerWaalsContact C-N 3.31Å; F380-L382 PolarHBondContact O-N 3.1Å; F380-R383 PolarHBondContact O-N 3.11Å; F380-D384 PolarHBondContact O-N 3.25Å; F380-D384 VanDerWaalsContact O-N 3.13Å
381	D	93.3	Very high	91.6	Very high	69 Å²	69	60 Å²	60	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-40	178.5	-54.7	-48.4	0	0	0	111.4	L377 S378 D384 R385	L377-D381 HydrophobicContact CB-CB 4.31Å; L377-D381 HydrophobicContact CD2-CB 4.1Å; S378-D381 WeakPolarHBondContact CB-OD2 3.35Å; S378-D381 PolarHBondContact N-OD2 3.14Å; S378-D381 PolarHBondContact O-N 3.47Å; S378-D381 PolarHBondContact OG-N 3.41Å; S378-D381 PolarHBondContact OG-OD2 2.97Å; D381-D384 PolarHBondContact O-N 3.38Å; D381-R385 WeakPolarHBondContact O-CB 3.42Å; D381-R385 WeakPolarHBondContact O-CG 3.19Å; D381-R385 PolarHBondContact O-N 3.18Å
382	L	93.1	Very high	92	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-41.3	175.9	-74.3	169.1	0	0	0	112.2	L78 C81 K82 F85 L374 L377 S378 F380 R385 I386	L78-L382 HydrophobicContact CD1-CD1 3.39Å; C81-L382 HydrophobicContact CB-CD1 4.23Å; C81-L382 VanDerWaalsContact SG-CB 3.52Å; K82-L382 HydrophobicContact CG-CD1 3.8Å; F85-L382 HydrophobicContact CD1-CD2 4.03Å; L374-L382 HydrophobicContact CD1-CD2 3.39Å; L374-L382 HydrophobicContact CG-CD2 4.43Å; L377-L382 HydrophobicContact CB-CD1 4.46Å; L377-L382 HydrophobicContact CB-CD2 4.05Å; L377-L382 HydrophobicContact CB-CG 3.83Å; L377-L382 HydrophobicContact CD1-CD2 3.64Å; L377-L382 HydrophobicContact CD1-CG 4.24Å; S378-L382 WeakPolarHBondContact O-CG 3.44Å; S378-L382 PolarHBondContact O-N 3.16Å; F380-L382 VanDerWaalsContact C-N 3.31Å; F380-L382 PolarHBondContact O-N 3.1Å; L382-R385 PolarHBondContact O-N 3.13Å; L382-I386 WeakPolarHBondContact O-CB 3.02Å; L382-I386 WeakPolarHBondContact O-CD1 3.4Å; L382-I386 WeakPolarHBondContact O-CG1 3.1Å; L382-I386 PolarHBondContact O-N 2.97Å
383	R	94.6	Very high	92.4	Very high	71 Å²	71	65 Å²	65	27%	0.268	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-47.5	176.7	-178.4	177.6	-64.7	161.3	8.9	111.3	F75 R112 F114 M379 F380 I386 Y387	F75-R383 HydrophobicContact CD1-CB 4.22Å; F75-R383 HydrophobicContact CE1-CB 3.55Å; F75-R383 HydrophobicContact CE1-CG 3.86Å; F75-R383 HydrophobicContact CE2-CG 4.16Å; F75-R383 HydrophobicContact CZ-CB 3.87Å; F75-R383 HydrophobicContact CZ-CG 3.62Å; R112-R383 PolarHBondContact O-NH1 3.41Å; F114-R383 HydrophobicContact CD1-CG 4.47Å; F114-R383 HydrophobicContact CE1-CG 3.6Å; F114-R383 HydrophobicContact CZ-CG 3.94Å; M379-R383 PolarHBondContact O-N 3.14Å; F380-R383 PolarHBondContact O-N 3.11Å; R383-I386 PolarHBondContact O-N 2.87Å; R383-Y387 WeakPolarHBondContact O-CB 3.39Å; R383-Y387 PolarHBondContact O-N 3.16Å
384	D	93.6	Very high	92.4	Very high	65 Å²	65	66.6 Å²	66.6	35%	0.348	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-46.6	178	-176.4	67.1	0	0	0	111.6	F380 D381 I386 Y387 K388	F380-D384 PolarHBondContact O-N 3.25Å; F380-D384 VanDerWaalsContact O-N 3.13Å; D381-D384 PolarHBondContact O-N 3.38Å; D384-I386 PolarHBondContact O-N 3.46Å; D384-Y387 PolarHBondContact O-N 3.08Å; D384-K388 WeakPolarHBondContact O-CB 3.31Å; D384-K388 WeakPolarHBondContact O-CG 3.21Å; D384-K388 PolarHBondContact O-N 3.35Å; D384-K388 IonicContact OD1-NZ 2.94Å; D384-K388 VanDerWaalsContact OD2-CE 3.22Å; D384-K388 WeakPolarHBondContact OD2-CE 3.47Å; D384-K388 IonicContact OD2-NZ 3.77Å; D384-K388 PolarHBondContact OD2-NZ 3.43Å
385	R	94.1	Very high	92.1	Very high	80 Å²	80	67.3 Å²	67.3	30%	0.302	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177.6	-73.7	-173.8	-172.7	-151.7	-0	113.1	F85 E373 D381 L382 F389	F85-R385 HydrophobicContact CE1-CB 4.06Å; F85-R385 HydrophobicContact CZ-CB 4.25Å; E373-R385 IonicContact OE1-CZ 3.83Å; E373-R385 IonicContact OE1-NH1 2.62Å; E373-R385 PolarHBondContact OE1-NH1 2.73Å; E373-R385 IonicContact OE1-NH2 3.41Å; E373-R385 PolarHBondContact OE1-NH2 3.25Å; E373-R385 IonicContact OE2-NH1 3.77Å; E373-R385 PolarHBondContact OE2-NH1 3.14Å; D381-R385 WeakPolarHBondContact O-CB 3.42Å; D381-R385 WeakPolarHBondContact O-CG 3.19Å; D381-R385 PolarHBondContact O-N 3.18Å; L382-R385 PolarHBondContact O-N 3.13Å; R385-F389 WeakPolarHBondContact O-CB 3.25Å; R385-F389 PolarHBondContact O-N 3.09Å
386	I	95.2	Very high	92.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-46.6	175.4	-73.4	161.1	0	0	0	109.9	V74 F75 F85 I88 F114 I117 L382 R383 D384 F389 I390	V74-I386 HydrophobicContact CG1-CD1 4.27Å; F75-I386 HydrophobicContact CE1-CD1 4.1Å; F75-I386 HydrophobicContact CZ-CD1 4.4Å; F85-I386 HydrophobicContact CB-CD1 4.02Å; F85-I386 HydrophobicContact CB-CG1 3.83Å; F85-I386 HydrophobicContact CD1-CG1 4.15Å; F85-I386 HydrophobicContact CD2-CG1 3.8Å; F85-I386 HydrophobicContact CE2-CG1 4.4Å; F85-I386 HydrophobicContact CG-CD1 4.37Å; F85-I386 HydrophobicContact CG-CG1 3.67Å; I88-I386 HydrophobicContact CD1-CG2 4.31Å; F114-I386 HydrophobicContact CE2-CG2 3.96Å; F114-I386 HydrophobicContact CZ-CB 4.41Å; F114-I386 HydrophobicContact CZ-CG2 3.95Å; I117-I386 HydrophobicContact CD1-CG2 3.53Å; L382-I386 WeakPolarHBondContact O-CB 3.02Å; L382-I386 WeakPolarHBondContact O-CD1 3.4Å; L382-I386 WeakPolarHBondContact O-CG1 3.1Å; L382-I386 PolarHBondContact O-N 2.97Å; R383-I386 PolarHBondContact O-N 2.87Å; D384-I386 PolarHBondContact O-N 3.46Å; I386-F389 PolarHBondContact O-N 3.03Å; I386-I390 HydrophobicContact CG2-CD1 3.88Å; I386-I390 VanDerWaalsContact O-CG1 3.31Å; I386-I390 WeakPolarHBondContact O-CG1 3.39Å; I386-I390 PolarHBondContact O-N 3.41Å
387	Y	95.4	Very high	92.1	Very high	59 Å²	59	63.7 Å²	63.7	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-50.6	179.9	-178.9	-97.4	0	0	0	111.4	P108 A111 F114 R383 D384 F389 I390 V391	P108-Y387 HydrophobicContact CB-CD2 4.36Å; P108-Y387 HydrophobicContact CB-CE2 4.38Å; P108-Y387 HydrophobicContact CG-CD2 4.29Å; A111-Y387 VanDerWaalsContact CA-CD2 3.43Å; A111-Y387 VanDerWaalsContact CA-CE2 3.45Å; A111-Y387 HydrophobicContact CB-CD1 3.62Å; A111-Y387 HydrophobicContact CB-CD2 3.78Å; A111-Y387 HydrophobicContact CB-CE1 3.56Å; A111-Y387 HydrophobicContact CB-CE2 3.7Å; A111-Y387 HydrophobicContact CB-CG 3.72Å; F114-Y387 HydrophobicContact CD1-CD2 4.45Å; F114-Y387 HydrophobicContact CE1-CD2 4.14Å; F114-Y387 HydrophobicContact CE1-CG 4.48Å; R383-Y387 WeakPolarHBondContact O-CB 3.39Å; R383-Y387 PolarHBondContact O-N 3.16Å; D384-Y387 PolarHBondContact O-N 3.08Å; Y387-F389 PolarHBondContact O-N 2.83Å; Y387-I390 PolarHBondContact O-N 3.46Å; Y387-I390 VanDerWaalsContact O-N 3.08Å; Y387-V391 HydrophobicContact CD1-CG1 4.34Å; Y387-V391 HydrophobicContact CD1-CG2 4.15Å; Y387-V391 HydrophobicContact CD2-CG1 4.27Å; Y387-V391 HydrophobicContact CE1-CG1 3.89Å; Y387-V391 HydrophobicContact CE1-CG2 3.91Å; Y387-V391 HydrophobicContact CE2-CG1 3.83Å; Y387-V391 WeakPolarHBondContact O-CG2 3.21Å; Y387-V391 PolarHBondContact O-N 3.33Å
388	K	94.9	Very high	91.9	Very high	91 Å²	91	70.1 Å²	70.1	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-55.9	-48.6	175.1	-75.6	175.3	177.3	162.3	0	111.8	D384 I390 V391 E392	D384-K388 WeakPolarHBondContact O-CB 3.31Å; D384-K388 WeakPolarHBondContact O-CG 3.21Å; D384-K388 PolarHBondContact O-N 3.35Å; D384-K388 IonicContact OD1-NZ 2.94Å; D384-K388 VanDerWaalsContact OD2-CE 3.22Å; D384-K388 WeakPolarHBondContact OD2-CE 3.47Å; D384-K388 IonicContact OD2-NZ 3.77Å; D384-K388 PolarHBondContact OD2-NZ 3.43Å; K388-I390 PolarHBondContact O-N 3.48Å; K388-I390 VanDerWaalsContact O-N 3.16Å; K388-V391 PolarHBondContact O-N 3.27Å; K388-E392 VanDerWaalsContact O-CB 3.24Å; K388-E392 WeakPolarHBondContact O-CB 3.34Å; K388-E392 VanDerWaalsContact O-CG 3.29Å; K388-E392 WeakPolarHBondContact O-CG 3.22Å; K388-E392 PolarHBondContact O-N 3.13Å
389	F	95	Very high	91.8	Very high	48 Å²	48	70.9 Å²	70.9	21%	0.211	33%	0.332	C	S	.	.	H	α-helix	trans	-55.8	-33.9	176.7	178.1	-96.7	0	0	0	112.7	F85 I88 R89 C92 I105 R385 I386 Y387 R393	F85-F389 HydrophobicContact CE2-CB 3.98Å; F85-F389 HydrophobicContact CE2-CD1 4.24Å; F85-F389 HydrophobicContact CE2-CD2 4.31Å; F85-F389 AromaticContact CE2-CG 3.91Å; F85-F389 HydrophobicContact CE2-CG 3.91Å; F85-F389 HydrophobicContact CZ-CB 4.47Å; I88-F389 HydrophobicContact CB-CE1 4.48Å; I88-F389 HydrophobicContact CD1-CD1 3.88Å; I88-F389 HydrophobicContact CD1-CE1 4.09Å; I88-F389 HydrophobicContact CG1-CD1 4.25Å; I88-F389 HydrophobicContact CG1-CE1 3.99Å; R89-F389 HydrophobicContact CB-CZ 4.44Å; R89-F389 HydrophobicContact CG-CE2 4.4Å; C92-F389 HydrophobicContact CB-CZ 3.94Å; I105-F389 HydrophobicContact CD1-CE1 4.16Å; R385-F389 WeakPolarHBondContact O-CB 3.25Å; R385-F389 PolarHBondContact O-N 3.09Å; I386-F389 PolarHBondContact O-N 3.03Å; Y387-F389 PolarHBondContact O-N 2.83Å; F389-R393 WeakPolarHBondContact O-CD 3.09Å; F389-R393 WeakPolarHBondContact O-CG 3.48Å
390	I	95.5	Very high	91.8	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-77.7	-51.8	177.5	-63.7	166.7	0	0	0	110.9	I105 P108 I117 I386 Y387 K388 R393	I105-I390 HydrophobicContact CB-CG2 4.13Å; I105-I390 HydrophobicContact CD1-CG1 4.32Å; I105-I390 HydrophobicContact CG2-CD1 3.96Å; I105-I390 HydrophobicContact CG2-CG1 3.9Å; I105-I390 HydrophobicContact CG2-CG2 3.87Å; P108-I390 HydrophobicContact CG-CD1 4.07Å; I117-I390 HydrophobicContact CD1-CD1 4.23Å; I117-I390 HydrophobicContact CG1-CD1 4.23Å; I117-I390 HydrophobicContact CG2-CD1 4.24Å; I386-I390 HydrophobicContact CG2-CD1 3.88Å; I386-I390 VanDerWaalsContact O-CG1 3.31Å; I386-I390 WeakPolarHBondContact O-CG1 3.39Å; I386-I390 PolarHBondContact O-N 3.41Å; Y387-I390 PolarHBondContact O-N 3.46Å; Y387-I390 VanDerWaalsContact O-N 3.08Å; K388-I390 PolarHBondContact O-N 3.48Å; K388-I390 VanDerWaalsContact O-N 3.16Å; I390-R393 PolarHBondContact O-N 3.04Å
391	V	92.3	Very high	91.9	Very high	47 Å²	47	62.3 Å²	62.3	29%	0.285	30%	0.297	S	S	.	.	H	α-helix	trans	-77.3	-22.7	-170.2	-57.4	0	0	0	0	114.4	Y387 K388 R393	Y387-V391 HydrophobicContact CD1-CG1 4.34Å; Y387-V391 HydrophobicContact CD1-CG2 4.15Å; Y387-V391 HydrophobicContact CD2-CG1 4.27Å; Y387-V391 HydrophobicContact CE1-CG1 3.89Å; Y387-V391 HydrophobicContact CE1-CG2 3.91Å; Y387-V391 HydrophobicContact CE2-CG1 3.83Å; Y387-V391 WeakPolarHBondContact O-CG2 3.21Å; Y387-V391 PolarHBondContact O-N 3.33Å; K388-V391 PolarHBondContact O-N 3.27Å; V391-R393 VanDerWaalsContact C-N 3.32Å
392	E	93	Very high	91.9	Very high	143 Å²	143	59.5 Å²	59.5	67%	0.668	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.2	177.3	-66.9	173.3	-179.2	0	0	112.5	K388	K388-E392 VanDerWaalsContact O-CB 3.24Å; K388-E392 WeakPolarHBondContact O-CB 3.34Å; K388-E392 VanDerWaalsContact O-CG 3.29Å; K388-E392 WeakPolarHBondContact O-CG 3.22Å; K388-E392 PolarHBondContact O-N 3.13Å
393	R	91.9	Very high	91.9	Very high	71 Å²	71	60.9 Å²	60.9	27%	0.268	29%	0.289	S	S	.	.	S	Bend	trans	-69.9	140.8	173.1	-72	166.6	68.7	73.4	3.8	109.6	C92 F389 I390 V391 P395	C92-R393 VanDerWaalsContact CB-NH1 3.31Å; C92-R393 PolarHBondContact SG-NH1 3.33Å; C92-R393 PolarHBondContact SG-NH2 3.2Å; C92-R393 VanDerWaalsContact SG-NH2 3.36Å; F389-R393 WeakPolarHBondContact O-CD 3.09Å; F389-R393 WeakPolarHBondContact O-CG 3.48Å; I390-R393 PolarHBondContact O-N 3.04Å; V391-R393 VanDerWaalsContact C-N 3.32Å; R393-P395 WeakPolarHBondContact O-CD 3.27Å
394	T	88.3	Confident	91.7	Very high	107 Å²	107	57.7 Å²	57.7	66%	0.656	28%	0.278	S	S	*	.			trans	-77.4	112	169.1	-58.5	0	0	0	0	108.7	H398	T394-H398 WeakPolarHBondContact CG2-ND1 3.29Å
395	P	83.3	Confident	91.4	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.104	28%	0.282	C	S	.	.			trans	-69.9	153.6	178.9	29.4	-34.4	0	0	0	110.2	R393 Y397 H398 P400	R393-P395 WeakPolarHBondContact O-CD 3.27Å; P395-Y397 PolarHBondContact O-N 2.93Å; P395-H398 WeakPolarHBondContact O-CA 3.27Å; P395-H398 PolarHBondContact O-N 3.22Å; P395-P400 HydrophobicContact CG-CB 4.33Å
396	P	83.9	Confident	91.2	Very high	44 Å²	44	59.2 Å²	59.2	29%	0.286	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-49.8	139.7	169.3	-25.7	33.1	0	0	0	111.9	R61 L103 D104 H398 I399	R61-P396 PolarHBondContact NH1-O 3.4Å; R61-P396 VanDerWaalsContact NH1-O 3.16Å; L103-P396 WeakPolarHBondContact O-CG 3.15Å; D104-P396 HydrophobicContact CB-CG 4.19Å; D104-P396 VanDerWaalsContact CG-CD 3.48Å; P396-H398 PolarHBondContact O-N 3.4Å; P396-H398 VanDerWaalsContact O-N 3.08Å; P396-I399 PolarHBondContact O-N 3.46Å
397	Y	87.9	Confident	90.9	Very high	139 Å²	139	59.6 Å²	59.6	55%	0.545	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	58.6	14.2	-176.6	-49.1	-87.8	0	0	0	114.7	R61 P395 I399	R61-Y397 HydrophobicContact CB-CD2 3.71Å; R61-Y397 HydrophobicContact CB-CE2 4.2Å; R61-Y397 HydrophobicContact CB-CG 4.22Å; R61-Y397 HydrophobicContact CG-CD2 4.43Å; P395-Y397 PolarHBondContact O-N 2.93Å; Y397-I399 WeakPolarHBondContact O-CG1 3.33Å; Y397-I399 PolarHBondContact O-N 2.76Å; Y397-I399 VanDerWaalsContact O-N 3.16Å
398	H	88.2	Confident	90.6	Very high	155 Å²	155	61.6 Å²	61.6	72%	0.718	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	57.9	21.4	-175	-54	-79.2	0	0	0	114.2	T394 P395 P396	T394-H398 WeakPolarHBondContact CG2-ND1 3.29Å; P395-H398 WeakPolarHBondContact O-CA 3.27Å; P395-H398 PolarHBondContact O-N 3.22Å; P396-H398 PolarHBondContact O-N 3.4Å; P396-H398 VanDerWaalsContact O-N 3.08Å
399	I	90.8	Very high	90.2	Very high	66 Å²	66	58.2 Å²	58.2	34%	0.338	32%	0.316	S	S	.	.			trans	-117.6	109.7	-178.3	-62.4	160.8	0	0	0	108.7	H6 R61 P396 Y397	H6-I399 HydrophobicContact CB-CG2 4.27Å; H6-I399 WeakPolarHBondContact CD2-CG2 3.24Å; R61-I399 WeakPolarHBondContact CD-O 3.3Å; R61-I399 HydrophobicContact CG-CB 4.25Å; R61-I399 HydrophobicContact CG-CD1 4.49Å; R61-I399 HydrophobicContact CG-CG2 4.33Å; R61-I399 PolarHBondContact NH1-O 2.86Å; R61-I399 VanDerWaalsContact NH1-O 3.12Å; P396-I399 PolarHBondContact O-N 3.46Å; Y397-I399 WeakPolarHBondContact O-CG1 3.33Å; Y397-I399 PolarHBondContact O-N 2.76Å; Y397-I399 VanDerWaalsContact O-N 3.16Å
400	P	91.9	Very high	89.9	Confident	35 Å²	35	57.9 Å²	57.9	23%	0.227	32%	0.315	C	S	.	.			trans	-70.2	141.5	175.5	29.3	-34	0	0	0	110.5	Q7 P395	Q7-P400 HydrophobicContact CB-CG 4.19Å; Q7-P400 PolarHBondContact N-O 2.91Å; Q7-P400 VanDerWaalsContact N-O 3.16Å; P395-P400 HydrophobicContact CG-CB 4.33Å
401	L	94.2	Very high	89.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	154.5	178.3	-64	-178.3	0	0	0	110.8	V4 S5 P60 R61 L106 H107 L120	V4-L401 HydrophobicContact CG1-CB 3.92Å; V4-L401 HydrophobicContact CG1-CD1 3.76Å; V4-L401 HydrophobicContact CG1-CD2 4.34Å; V4-L401 HydrophobicContact CG1-CG 4.25Å; S5-L401 WeakPolarHBondContact O-CA 3.45Å; P60-L401 HydrophobicContact CG-CD2 3.59Å; R61-L401 HydrophobicContact CG-CD2 4.06Å; R61-L401 VanDerWaalsContact NH2-CD1 3.29Å; L106-L401 CarbonylContact C-O 3.59Å; L106-L401 WeakPolarHBondContact CA-O 3.39Å; L106-L401 HydrophobicContact CD2-CB 3.46Å; L106-L401 VanDerWaalsContact CD2-CB 3.46Å; L106-L401 HydrophobicContact CD2-CD1 4.29Å; H107-L401 PolarHBondContact N-O 2.75Å; L120-L401 HydrophobicContact CD1-CD1 3.74Å
402	C	93.2	Very high	89.2	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.074	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.8	176.1	62	0	0	0	0	110.3	S5 L10	S5-C402 PolarHBondContact N-O 3.25Å; S5-C402 PolarHBondContact O-N 3.25Å; S5-C402 PolarHBondContact O-SG 3.25Å; S5-C402 PolarHBondContact OG-SG 3.31Å; S5-C402 VanDerWaalsContact OG-SG 3.33Å; L10-C402 WeakPolarHBondContact CD1-SG 3.47Å
403	I	92.3	Very high	88.8	Confident	28 Å²	28	59.4 Å²	59.4	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.3	171.5	-160.1	70.9	0	0	0	109.2	L3 L68 L106 Y118 P405 F410 F413	L3-I403 HydrophobicContact CD1-CD1 3.9Å; L3-I403 HydrophobicContact CD1-CG1 4.42Å; L3-I403 HydrophobicContact CG-CD1 3.8Å; L3-I403 WeakPolarHBondContact O-CD1 3.4Å; L68-I403 HydrophobicContact CD2-CD1 4.03Å; L106-I403 HydrophobicContact CD1-CB 4.41Å; L106-I403 HydrophobicContact CD1-CD1 4.36Å; Y118-I403 HydrophobicContact CD2-CB 4.4Å; Y118-I403 HydrophobicContact CE1-CD1 4.33Å; Y118-I403 HydrophobicContact CE2-CB 4.1Å; Y118-I403 HydrophobicContact CE2-CG1 4.38Å; Y118-I403 HydrophobicContact CE2-CG2 4.06Å; I403-P405 VanDerWaalsContact O-CD 3.26Å; I403-P405 WeakPolarHBondContact O-CD 3.49Å; I403-F410 HydrophobicContact CG1-CD2 4.06Å; I403-F410 HydrophobicContact CG1-CE2 3.78Å; I403-F410 HydrophobicContact CG2-CE2 4.4Å; I403-F413 HydrophobicContact CD1-CD1 4.15Å; I403-F413 HydrophobicContact CD1-CE1 3.54Å; I403-F413 HydrophobicContact CD1-CZ 4.2Å; I403-F413 HydrophobicContact CG1-CE1 4.18Å
404	N	90.5	Very high	88.4	Confident	5 Å²	5	59 Å²	59	3%	0.027	33%	0.325	C	S	.	.			trans	-98.8	103	179	-176.6	7.8	0	0	0	110.8	M1 A2 L3 D406 S407	M1-N404 WeakPolarHBondContact CB-ND2 3.32Å; A2-N404 WeakPolarHBondContact O-CB 3.35Å; A2-N404 PolarHBondContact O-ND2 3.02Å; L3-N404 WeakPolarHBondContact O-CB 3.45Å; L3-N404 PolarHBondContact O-N 2.88Å; N404-D406 PolarHBondContact O-N 2.59Å; N404-D406 PolarHBondContact OD1-N 3.29Å; N404-D406 VanDerWaalsContact OD1-N 3.09Å; N404-S407 WeakPolarHBondContact O-CB 3.32Å; N404-S407 PolarHBondContact O-N 3.29Å
405	P	88.4	Confident	88	Confident	66 Å²	66	58.3 Å²	58.3	43%	0.429	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.5	178.8	27.2	-34	0	0	0	113.4	I403 S407 F410	I403-P405 VanDerWaalsContact O-CD 3.26Å; I403-P405 WeakPolarHBondContact O-CD 3.49Å; P405-S407 VanDerWaalsContact C-N 3.27Å; P405-S407 PolarHBondContact O-N 3.26Å; P405-F410 HydrophobicContact CB-CD1 4.17Å; P405-F410 HydrophobicContact CB-CE1 3.9Å; P405-F410 HydrophobicContact CB-CE2 4.42Å; P405-F410 HydrophobicContact CB-CZ 4.04Å; P405-F410 WeakPolarHBondContact O-CB 3.43Å; P405-F410 WeakPolarHBondContact O-CD1 3.42Å
406	D	88.8	Confident	87.6	Confident	111 Å²	111	58.3 Å²	58.3	59%	0.594	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	3	179.4	-55.8	-44.3	0	0	0	113	M1 N404	M1-D406 HydrophobicContact CE-CB 4.44Å; M1-D406 HydrophobicContact SD-CB 4.47Å; N404-D406 PolarHBondContact O-N 2.59Å; N404-D406 PolarHBondContact OD1-N 3.29Å; N404-D406 VanDerWaalsContact OD1-N 3.09Å
407	S	88.8	Confident	86.6	Confident	8 Å²	8	60.4 Å²	60.4	6%	0.056	34%	0.337	C	S	.	.	S	Bend	trans	-67.6	136.7	172.9	176.4	0	0	0	0	111	M1 A2 L3 N404 P405 A409 F410	M1-S407 PolarHBondContact O-OG 3.34Å; M1-S407 VanDerWaalsContact O-OG 3.13Å; A2-S407 WeakPolarHBondContact O-CB 3.11Å; L3-S407 PolarHBondContact N-OG 3.03Å; N404-S407 WeakPolarHBondContact O-CB 3.32Å; N404-S407 PolarHBondContact O-N 3.29Å; P405-S407 VanDerWaalsContact C-N 3.27Å; P405-S407 PolarHBondContact O-N 3.26Å; S407-A409 PolarHBondContact O-N 3.49Å; S407-A409 VanDerWaalsContact O-N 3.13Å; S407-A409 PolarHBondContact OG-N 2.96Å; S407-F410 WeakPolarHBondContact O-CB 3.39Å; S407-F410 PolarHBondContact O-N 2.85Å
408	A	88.5	Confident	85	Confident	101 Å²	101	55.8 Å²	55.8	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	173.5	0	0	0	0	0	112.4
409	A	87.7	Confident	82.6	Confident	20 Å²	20	52.5 Å²	52.5	17%	0.165	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.3	175.8	0	0	0	0	0	113.3	D43 W55 S407 K411 S412 F413	D43-A409 HydrophobicContact CB-CB 4.48Å; W55-A409 HydrophobicContact CZ3-CB 3.94Å; S407-A409 PolarHBondContact O-N 3.49Å; S407-A409 VanDerWaalsContact O-N 3.13Å; S407-A409 PolarHBondContact OG-N 2.96Å; A409-K411 PolarHBondContact O-N 3.46Å; A409-S412 PolarHBondContact O-N 2.94Å; A409-F413 WeakPolarHBondContact O-CB 3.12Å; A409-F413 PolarHBondContact O-N 3.42Å
410	F	88.4	Confident	79.9	Confident	41 Å²	41	57.9 Å²	57.9	18%	0.18	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-46.6	-170	-176.7	-108.2	0	0	0	112.4	L3 I403 P405 S407 S412 F413 I414	L3-F410 HydrophobicContact CD1-CB 4.1Å; L3-F410 HydrophobicContact CD1-CD2 3.92Å; I403-F410 HydrophobicContact CG1-CD2 4.06Å; I403-F410 HydrophobicContact CG1-CE2 3.78Å; I403-F410 HydrophobicContact CG2-CE2 4.4Å; P405-F410 HydrophobicContact CB-CD1 4.17Å; P405-F410 HydrophobicContact CB-CE1 3.9Å; P405-F410 HydrophobicContact CB-CE2 4.42Å; P405-F410 HydrophobicContact CB-CZ 4.04Å; P405-F410 WeakPolarHBondContact O-CB 3.43Å; P405-F410 WeakPolarHBondContact O-CD1 3.42Å; S407-F410 WeakPolarHBondContact O-CB 3.39Å; S407-F410 PolarHBondContact O-N 2.85Å; F410-S412 VanDerWaalsContact C-N 3.35Å; F410-S412 PolarHBondContact O-N 3.42Å; F410-F413 HydrophobicContact CD2-CD1 4.49Å; F410-F413 WeakPolarHBondContact O-CB 3.5Å; F410-F413 PolarHBondContact O-N 3.4Å; F410-F413 VanDerWaalsContact O-N 3.14Å; F410-I414 HydrophobicContact CD1-CD1 4.22Å; F410-I414 HydrophobicContact CD1-CG2 4.31Å; F410-I414 HydrophobicContact CD2-CG2 4.09Å; F410-I414 HydrophobicContact CE1-CD1 3.87Å; F410-I414 HydrophobicContact CE1-CG2 3.9Å; F410-I414 HydrophobicContact CE2-CG2 3.64Å; F410-I414 HydrophobicContact CG-CG2 4.41Å; F410-I414 HydrophobicContact CZ-CD1 4.5Å; F410-I414 HydrophobicContact CZ-CG2 3.54Å; F410-I414 WeakPolarHBondContact O-CG1 3.44Å; F410-I414 PolarHBondContact O-N 3.26Å
411	K	86.3	Confident	77	Confident	164 Å²	164	61.8 Å²	61.8	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-58	-46.9	178.9	-173	175.4	-179.1	179.7	0	111.7	A409 F413 I414 T415	A409-K411 PolarHBondContact O-N 3.46Å; K411-F413 VanDerWaalsContact C-N 3.34Å; K411-I414 VanDerWaalsContact O-CG1 3.28Å; K411-I414 WeakPolarHBondContact O-CG1 3.31Å; K411-T415 WeakPolarHBondContact O-CG2 3.49Å; K411-T415 PolarHBondContact O-N 3.41Å; K411-T415 VanDerWaalsContact O-N 3.13Å; K411-T415 PolarHBondContact O-OG1 2.79Å
412	S	85.8	Confident	73.9	Confident	59 Å²	59	67.1 Å²	67.1	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-65	-39.7	177.4	178.5	0	0	0	0	111.7	W55 A409 F410 T415 S416	W55-S412 WeakPolarHBondContact CH2-OG 3.37Å; A409-S412 PolarHBondContact O-N 2.94Å; F410-S412 VanDerWaalsContact C-N 3.35Å; F410-S412 PolarHBondContact O-N 3.42Å; S412-T415 PolarHBondContact O-N 3.13Å; S412-T415 PolarHBondContact O-OG1 3.2Å; S412-T415 VanDerWaalsContact O-OG1 3.14Å; S412-S416 WeakPolarHBondContact O-CB 3.44Å; S412-S416 PolarHBondContact O-N 3.04Å; S412-S416 PolarHBondContact O-OG 3.02Å
413	F	85.2	Confident	70.8	Confident	1 Å²	1	75 Å²	75	0%	0.004	45%	0.445	C	S	.	.	H	α-helix	trans	-61.4	-47.1	177.4	174.5	-113.2	0	0	0	112.8	L3 W55 L68 R70 Y118 I403 A409 F410 K411 S416	L3-F413 HydrophobicContact CD1-CB 4.15Å; L3-F413 HydrophobicContact CD1-CD1 3.96Å; L3-F413 HydrophobicContact CD1-CG 4.16Å; L3-F413 HydrophobicContact CD2-CB 3.91Å; L3-F413 HydrophobicContact CD2-CD1 3.96Å; L3-F413 HydrophobicContact CD2-CD2 3.68Å; L3-F413 HydrophobicContact CD2-CE1 4.32Å; L3-F413 HydrophobicContact CD2-CE2 4.11Å; L3-F413 HydrophobicContact CD2-CG 3.59Å; L3-F413 HydrophobicContact CD2-CZ 4.38Å; L3-F413 HydrophobicContact CG-CD1 4.4Å; L3-F413 HydrophobicContact CG-CG 4.45Å; W55-F413 HydrophobicContact CB-CD2 4.32Å; W55-F413 HydrophobicContact CB-CE2 4.28Å; W55-F413 AromaticContact CD1-CD2 3.44Å; W55-F413 VanDerWaalsContact CD1-CD2 3.44Å; W55-F413 AromaticContact CD1-CE2 3.73Å; W55-F413 HydrophobicContact CD2-CB 4.37Å; W55-F413 AromaticContact CD2-CD2 3.65Å; W55-F413 HydrophobicContact CD2-CD2 3.65Å; W55-F413 HydrophobicContact CD2-CE2 4.44Å; W55-F413 HydrophobicContact CD2-CG 4.48Å; W55-F413 AromaticContact CE2-CD2 3.65Å; W55-F413 HydrophobicContact CE3-CD2 4.4Å; W55-F413 AromaticContact CG-CD2 3.56Å; W55-F413 HydrophobicContact CG-CD2 3.56Å; W55-F413 AromaticContact CG-CE2 3.9Å; W55-F413 HydrophobicContact CG-CE2 3.9Å; W55-F413 HydrophobicContact CH2-CB 4.15Å; W55-F413 VanDerWaalsContact CZ2-CA 3.4Å; W55-F413 HydrophobicContact CZ2-CB 3.93Å; W55-F413 HydrophobicContact CZ2-CD2 4.39Å; W55-F413 HydrophobicContact CZ3-CB 4.47Å; W55-F413 AromaticContact NE1-CD2 3.5Å; L68-F413 HydrophobicContact CD2-CE1 4.3Å; L68-F413 HydrophobicContact CD2-CE2 3.85Å; L68-F413 HydrophobicContact CD2-CZ 3.54Å; L68-F413 HydrophobicContact CG-CE2 4.38Å; L68-F413 HydrophobicContact CG-CZ 4.15Å; R70-F413 HydrophobicContact CB-CE2 4.21Å; R70-F413 HydrophobicContact CB-CZ 3.89Å; R70-F413 HydrophobicContact CG-CZ 4.39Å; Y118-F413 HydrophobicContact CD1-CE1 4.04Å; Y118-F413 AromaticContact CD1-CZ 3.76Å; Y118-F413 HydrophobicContact CD1-CZ 3.76Å; Y118-F413 AromaticContact CE1-CE1 3.26Å; Y118-F413 HydrophobicContact CE1-CE1 3.26Å; Y118-F413 AromaticContact CE1-CZ 3.36Å; Y118-F413 HydrophobicContact CE1-CZ 3.36Å; Y118-F413 AromaticContact CZ-CE1 3.91Å; I403-F413 HydrophobicContact CD1-CD1 4.15Å; I403-F413 HydrophobicContact CD1-CE1 3.54Å; I403-F413 HydrophobicContact CD1-CZ 4.2Å; I403-F413 HydrophobicContact CG1-CE1 4.18Å; A409-F413 WeakPolarHBondContact O-CB 3.12Å; A409-F413 PolarHBondContact O-N 3.42Å; F410-F413 HydrophobicContact CD2-CD1 4.49Å; F410-F413 WeakPolarHBondContact O-CB 3.5Å; F410-F413 PolarHBondContact O-N 3.4Å; F410-F413 VanDerWaalsContact O-N 3.14Å; K411-F413 VanDerWaalsContact C-N 3.34Å; F413-S416 WeakPolarHBondContact O-CB 3.22Å; F413-S416 PolarHBondContact O-N 3.38Å
414	I	83.3	Confident	67.8	Low	62 Å²	62	81.5 Å²	81.5	32%	0.318	48%	0.479	S	S	.	.	H	α-helix	trans	-73.9	-29.5	-178.9	65.3	176.2	0	0	0	113.2	R70 F410 K411 S416	R70-I414 PolarHBondContact NH1-O 2.91Å; F410-I414 HydrophobicContact CD1-CD1 4.22Å; F410-I414 HydrophobicContact CD1-CG2 4.31Å; F410-I414 HydrophobicContact CD2-CG2 4.09Å; F410-I414 HydrophobicContact CE1-CD1 3.87Å; F410-I414 HydrophobicContact CE1-CG2 3.9Å; F410-I414 HydrophobicContact CE2-CG2 3.64Å; F410-I414 HydrophobicContact CG-CG2 4.41Å; F410-I414 HydrophobicContact CZ-CD1 4.5Å; F410-I414 HydrophobicContact CZ-CG2 3.54Å; F410-I414 WeakPolarHBondContact O-CG1 3.44Å; F410-I414 PolarHBondContact O-N 3.26Å; K411-I414 VanDerWaalsContact O-CG1 3.28Å; K411-I414 WeakPolarHBondContact O-CG1 3.31Å; I414-S416 VanDerWaalsContact C-N 3.31Å
415	T	80.9	Confident	65.2	Low	92 Å²	92	84.2 Å²	84.2	56%	0.564	50%	0.497	S	S	*	.	H	α-helix	trans	-81.3	-14.8	175.6	56.7	0	0	0	0	112.8	K411 S412 S417	K411-T415 WeakPolarHBondContact O-CG2 3.49Å; K411-T415 PolarHBondContact O-N 3.41Å; K411-T415 VanDerWaalsContact O-N 3.13Å; K411-T415 PolarHBondContact O-OG1 2.79Å; S412-T415 PolarHBondContact O-N 3.13Å; S412-T415 PolarHBondContact O-OG1 3.2Å; S412-T415 VanDerWaalsContact O-OG1 3.14Å; T415-S417 PolarHBondContact O-N 3.33Å
416	S	74.7	Confident	62.6	Low	16 Å²	16	84.7 Å²	84.7	11%	0.112	50%	0.5	C	S	.	.			trans	-67.6	102.5	174.7	-62.4	0	0	0	0	108.5	V53 S412 F413 I414	V53-S416 WeakPolarHBondContact CG2-O 3.45Å; S412-S416 WeakPolarHBondContact O-CB 3.44Å; S412-S416 PolarHBondContact O-N 3.04Å; S412-S416 PolarHBondContact O-OG 3.02Å; F413-S416 WeakPolarHBondContact O-CB 3.22Å; F413-S416 PolarHBondContact O-N 3.38Å; I414-S416 VanDerWaalsContact C-N 3.31Å
417	S	63.1	Low	60.2	Low	89 Å²	89	82.4 Å²	82.4	62%	0.622	49%	0.492	S	S	*	.			trans	-105.4	153.1	169.7	56.3	0	0	0	0	109.8	T415	T415-S417 PolarHBondContact O-N 3.33Å
418	V	53.3	Low	58.1	Low	42 Å²	42	84.9 Å²	84.9	26%	0.255	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.1	160.6	-163.3	0	0	0	0	106.1	G49 G52 V53 Q420	G49-V418 WeakPolarHBondContact O-CG1 3.46Å; G49-V418 WeakPolarHBondContact O-CG2 3.24Å; G52-V418 VanDerWaalsContact CA-CG2 3.45Å; V53-V418 HydrophobicContact CG2-CG2 4.48Å; V418-Q420 PolarHBondContact O-N 3.43Å
419	A	37.7	Very low	56.5	Low	85 Å²	85	84.6 Å²	84.6	70%	0.702	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-47.7	135.8	161.5	0	0	0	0	0	107.7
420	Q	34.3	Very low	55	Low	179 Å²	179	85.8 Å²	85.8	84%	0.836	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-49.9	135.9	172.9	-72.7	-157.1	-10.2	0	0	107.4	V418 S422	V418-Q420 PolarHBondContact O-N 3.43Å; Q420-S422 PolarHBondContact O-N 2.81Å
421	P	32	Very low	53.9	Low	117 Å²	117	85.6 Å²	85.6	76%	0.76	50%	0.498	S	S	*	.			trans	-49.9	114.9	172.1	-9	15.4	0	0	0	105.7	E423	P421-E423 PolarHBondContact O-N 3.18Å
422	S	28.8	Very low	52.3	Low	113 Å²	113	86.1 Å²	86.1	79%	0.79	51%	0.508	S	S	*	.	S	Bend	trans	-57.7	105.2	-178.1	52.1	0	0	0	0	107.2	Q420	Q420-S422 PolarHBondContact O-N 2.81Å
423	E	28.1	Very low	50.6	Low	176 Å²	176	87.5 Å²	87.5	82%	0.822	51%	0.513	S	S	*	.	S	Bend	trans	56.5	145.4	168.8	-65.6	174.5	171.8	0	0	115.4	P421	P421-E423 PolarHBondContact O-N 3.18Å
424	L	28.7	Very low	48.8	Very low	165 Å²	165	92 Å²	92	86%	0.864	54%	0.539	S	S	*	.	S	Bend	trans	-35.1	128.2	174.8	-77.9	148.3	0	0	0	110.3
425	P	35.6	Very low	46.9	Very low	61 Å²	61	93.7 Å²	93.7	40%	0.396	55%	0.552	S	S	.	*			trans	-50.4	142	173.3	15.9	-27.2	0	0	0	110	V203 S427	V203-P425 HydrophobicContact CB-CB 3.14Å; V203-P425 HydrophobicContact CB-CG 3.81Å; V203-P425 HydrophobicContact CG1-CB 3.16Å; V203-P425 HydrophobicContact CG1-CG 4.34Å; V203-P425 HydrophobicContact CG2-CB 3.85Å; V203-P425 HydrophobicContact CG2-CG 4.37Å; P425-S427 PolarHBondContact O-N 3.32Å; P425-S427 VanDerWaalsContact O-N 3.07Å
426	P	34.8	Very low	44.9	Very low	77 Å²	77	93.8 Å²	93.8	50%	0.5	55%	0.551	S	S	.	*			trans	-51.1	129.1	171.5	22	-30.9	0	0	0	106.7	P248	P248-P426 HydrophobicContact CG-CG 4.38Å
427	S	38.7	Very low	43.1	Very low	62 Å²	62	98.6 Å²	98.6	43%	0.434	58%	0.578	S	S	.	*			trans	-41.2	136.9	-172.4	-175.5	0	0	0	0	110.3	P425 H429 A430	P425-S427 PolarHBondContact O-N 3.32Å; P425-S427 VanDerWaalsContact O-N 3.07Å; S427-H429 PolarHBondContact O-N 3.34Å; S427-H429 VanDerWaalsContact OG-CB 3.26Å; S427-H429 WeakPolarHBondContact OG-CB 3.33Å; S427-H429 PolarHBondContact OG-CD2 2.7Å; S427-H429 PolarHBondContact OG-N 3.06Å; S427-A430 PolarHBondContact O-N 3.36Å; S427-A430 VanDerWaalsContact O-N 3.16Å
428	P	45.1	Very low	41.7	Very low	60 Å²	60	99.3 Å²	99.3	39%	0.39	58%	0.575	S	S	.	*	S	Bend	trans	-56.6	-12.7	170.4	25.6	-32.9	0	0	0	111.9	H201 A430	H201-P428 HydrophobicContact CB-CB 3.79Å; P428-A430 VanDerWaalsContact C-N 3.32Å; P428-A430 PolarHBondContact O-N 2.7Å
429	H	53.2	Low	40.9	Very low	96 Å²	96	103.4 Å²	103.4	44%	0.444	60%	0.598	S	S	.	*			trans	-88.3	43.8	172.3	-51.3	-70	0	0	0	113.1	S427 W431 D432	S427-H429 PolarHBondContact O-N 3.34Å; S427-H429 VanDerWaalsContact OG-CB 3.26Å; S427-H429 WeakPolarHBondContact OG-CB 3.33Å; S427-H429 PolarHBondContact OG-CD2 2.7Å; S427-H429 PolarHBondContact OG-N 3.06Å; H429-W431 PolarHBondContact O-N 2.6Å; H429-D432 HydrophobicContact CB-CB 3.76Å; H429-D432 IonicContact CE1-OD2 2.81Å; H429-D432 PolarHBondContact CE1-OD2 3.19Å; H429-D432 IonicContact CG-OD2 3.01Å; H429-D432 VanDerWaalsContact ND1-CG 3.3Å; H429-D432 IonicContact ND1-OD1 2.72Å; H429-D432 IonicContact ND1-OD2 3.96Å; H429-D432 PolarHBondContact ND1-OD2 3.02Å; H429-D432 PolarHBondContact O-N 3.25Å
430	A	57.2	Low	41.1	Very low	44 Å²	44	104.8 Å²	104.8	36%	0.364	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.5	-11.6	169	0	0	0	0	0	112.6	S427 P428	S427-A430 PolarHBondContact O-N 3.36Å; S427-A430 VanDerWaalsContact O-N 3.16Å; P428-A430 VanDerWaalsContact C-N 3.32Å; P428-A430 PolarHBondContact O-N 2.7Å
431	W	64.3	Low	41.7	Very low	38 Å²	38	98.6 Å²	98.6	14%	0.144	57%	0.57	C	S	.	*	T	Hydrogen-bonded Turn	trans	-114.4	-4.1	-178.4	-58.5	113.4	0	0	0	114.4	L214 V249 L252 C271 G273 A274 H277 H429	L214-W431 PolarHBondContact O-NE1 3.34Å; V249-W431 HydrophobicContact CG1-CH2 4.45Å; V249-W431 HydrophobicContact CG2-CH2 4.04Å; V249-W431 HydrophobicContact CG2-CZ2 4.29Å; V249-W431 HydrophobicContact CG2-CZ3 4.39Å; L252-W431 HydrophobicContact CD2-CH2 4.09Å; L252-W431 HydrophobicContact CD2-CZ2 3.74Å; C271-W431 VanDerWaalsContact SG-CB 3.5Å; C271-W431 VanDerWaalsContact SG-CG 3.55Å; G273-W431 VanDerWaalsContact C-CE3 3.48Å; A274-W431 VanDerWaalsContact CA-CD2 3.48Å; A274-W431 HydrophobicContact CB-CD2 3.65Å; A274-W431 HydrophobicContact CB-CE3 4.21Å; A274-W431 HydrophobicContact CB-CG 4.03Å; A274-W431 HydrophobicContact CB-CH2 4.24Å; A274-W431 HydrophobicContact CB-CZ2 3.68Å; A274-W431 HydrophobicContact CB-CZ3 4.5Å; H277-W431 HydrophobicContact CB-CE3 4.3Å; H277-W431 HydrophobicContact CB-CH2 3.76Å; H277-W431 HydrophobicContact CB-CZ3 3.3Å; H277-W431 AromaticContact CD2-CH2 3.63Å; H277-W431 AromaticContact CD2-CZ3 3.98Å; H277-W431 AromaticContact CG-CH2 3.68Å; H277-W431 AromaticContact CG-CZ3 3.52Å; H429-W431 PolarHBondContact O-N 2.6Å
432	D	54.1	Low	42.6	Very low	174 Å²	174	96.9 Å²	96.9	93%	0.93	55%	0.553	S	S	*	*			trans	-90.3	0	166.6	-51.8	-0.6	0	0	0	108.1	H429	H429-D432 HydrophobicContact CB-CB 3.76Å; H429-D432 IonicContact CE1-OD2 2.81Å; H429-D432 PolarHBondContact CE1-OD2 3.19Å; H429-D432 IonicContact CG-OD2 3.01Å; H429-D432 VanDerWaalsContact ND1-CG 3.3Å; H429-D432 IonicContact ND1-OD1 2.72Å; H429-D432 IonicContact ND1-OD2 3.96Å; H429-D432 PolarHBondContact ND1-OD2 3.02Å; H429-D432 PolarHBondContact O-N 3.25Å

Retrieved 432 of 432 residues in 700.4 ms (Link to these results)

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