A0A087YDM8_POEFO Loading...

Translation initiation factor eIF2B subunit epsilon

AlphaFold DB , UniProt , Accession A0A087YDM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 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	35.9	Very low	28.4	Very low	237 Å²	237	145.9 Å²	145.9	100%	1.167	82%	0.821	S	S	*	*				0	100	0	-70.4	178.1	-178.9	0	0	106.7
2	A	29.7	Very low	28.1	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	81%	0.81	S	S	*	*				66.6	90.6	102.4	0	0	0	0	0	110.9
3	N	26.1	Very low	28	Very low	152 Å²	152	139.9 Å²	139.9	81%	0.813	81%	0.81	S	S	*	*				84.5	139.8	68.1	-161.4	18.2	0	0	0	113.9
4	K	30.4	Very low	27.8	Very low	189 Å²	189	135.2 Å²	135.2	82%	0.822	81%	0.807	S	S	*	*			trans	94.3	132.8	164.5	-58.1	-178.9	176.1	179.3	0	116.3
5	G	28.5	Very low	27.6	Very low	83 Å²	83	139.8 Å²	139.8	86%	0.856	81%	0.812	S	S	*	*			cis	-165.7	173.3	7.9	0	0	0	0	0	107.6
6	G	26.1	Very low	27.7	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	81%	0.81	S	S	*	*			cis	159.9	120.7	12.9	0	0	0	0	0	103.7
7	K	28.8	Very low	27.6	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	81%	0.808	S	S	*	*				52.3	140.4	107.4	-78.2	-169.5	171.2	-178.7	0	114
8	Q	29.1	Very low	27.7	Very low	147 Å²	147	141.7 Å²	141.7	69%	0.687	82%	0.816	S	S	*	*			cis	167.3	154	6.8	-113.6	174.4	-11.8	0	0	105.3
9	S	24.7	Very low	27.8	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	82%	0.823	S	S	*	*			trans	-170.3	109.5	135.2	55	0	0	0	0	109.1
10	R	27.4	Very low	27.9	Very low	230 Å²	230	141.9 Å²	141.9	87%	0.868	82%	0.818	S	S	*	*				69.2	125.2	85.2	-79	-176.7	167.1	-178.9	-4	111.4
11	S	25.6	Very low	28	Very low	112 Å²	112	140 Å²	140	78%	0.783	82%	0.819	S	S	*	*				-170.6	159	66.6	50	0	0	0	0	109.3
12	S	24.9	Very low	27.8	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	80%	0.803	S	S	*	*			cis	179.2	141.2	7.1	36.4	0	0	0	0	110.5
13	S	26.2	Very low	28	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	81%	0.807	S	S	*	*			trans	49.5	116.6	140.8	61.4	0	0	0	0	120.1
14	G	25.3	Very low	28.3	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	81%	0.808	S	S	*	*				122.9	148.8	74.4	0	0	0	0	0	106.6
15	F	25.8	Very low	28.6	Very low	204 Å²	204	138.3 Å²	138.3	90%	0.895	81%	0.812	S	S	*	*			cis	-159.4	165.6	23.1	-140.1	-101.4	0	0	0	108
16	T	28.2	Very low	29.5	Very low	126 Å²	126	141 Å²	141	77%	0.773	80%	0.802	S	S	*	*			trans	-55.9	143.4	-169.7	51.1	0	0	0	0	119.1
17	G	26.7	Very low	30.5	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	81%	0.811	S	S	*	*			trans	-143.7	136.3	157.2	0	0	0	0	0	110.5
18	R	28.8	Very low	32	Very low	252 Å²	252	146.6 Å²	146.6	95%	0.951	81%	0.813	S	S	*	*			trans	-47	134.4	-165.9	-80.4	163.7	159.8	162.3	-8	116.6	G20	R18-G20 PolarHBondContact O-N 3.49Å
19	K	29.8	Very low	34.2	Very low	215 Å²	215	145.1 Å²	145.1	94%	0.935	81%	0.806	S	S	*	*			trans	-62.9	111.7	159	-79.3	-177.9	169.2	-174.5	0	109.9
20	G	29	Very low	37.1	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-78.8	152.1	155.4	0	0	0	0	0	109.9	R18	R18-G20 PolarHBondContact O-N 3.49Å
21	A	31.9	Very low	40.1	Very low	102 Å²	102	132 Å²	132	84%	0.843	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.9	150.7	-174.1	0	0	0	0	0	112.8	E23	A21-E23 PolarHBondContact O-N 3.16Å
22	G	31.3	Very low	43.4	Very low	80 Å²	80	127.2 Å²	127.2	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-56.2	125.2	-173.3	0	0	0	0	0	114.3
23	E	32.4	Very low	46.8	Very low	187 Å²	187	122.6 Å²	122.6	87%	0.874	68%	0.68	S	S	*	*			trans	-74	114.2	148.2	-72	168.2	170.3	0	0	105.7	A21 E25	A21-E23 PolarHBondContact O-N 3.16Å; E23-E25 PolarHBondContact O-N 2.97Å
24	Q	33.3	Very low	50.1	Low	181 Å²	181	117 Å²	117	85%	0.846	64%	0.641	S	S	*	*			trans	-58.4	118.8	157.7	-74.6	170.6	-26	0	0	105.2	E26	Q24-E26 PolarHBondContact O-N 2.8Å
25	E	37.1	Very low	53.4	Low	191 Å²	191	113.5 Å²	113.5	89%	0.893	61%	0.605	S	S	*	*			trans	-59.5	95.9	165.8	-73.6	172.6	166.6	0	0	105.9	E23 E27	E23-E25 PolarHBondContact O-N 2.97Å; E25-E27 PolarHBondContact O-N 3.44Å; E25-E27 VanDerWaalsContact O-N 3.13Å
26	E	47.3	Very low	56.7	Low	141 Å²	141	103.9 Å²	103.9	66%	0.659	56%	0.563	S	S	*	*			trans	-55.6	115.3	165.8	-75	-178.9	159.4	0	0	105.2	Q24 E28 K161	Q24-E26 PolarHBondContact O-N 2.8Å; E26-E28 PolarHBondContact O-N 3.23Å; E26-K161 IonicContact OE2-NZ 3.9Å; E26-K161 PolarHBondContact OE2-NZ 3.16Å
27	E	46.8	Very low	59.6	Low	186 Å²	186	98 Å²	98	87%	0.869	53%	0.527	S	S	*	.			trans	-51.7	112.5	170.8	-76.6	-179.9	159.2	0	0	107.3	E25 Q29	E25-E27 PolarHBondContact O-N 3.44Å; E25-E27 VanDerWaalsContact O-N 3.13Å; E27-Q29 PolarHBondContact O-N 2.79Å
28	E	60.4	Low	62.4	Low	182 Å²	182	95.7 Å²	95.7	85%	0.85	50%	0.497	S	S	*	.			trans	-60.5	107.9	-179.4	-79.3	-172.3	154.8	0	0	108.2	E26	E26-E28 PolarHBondContact O-N 3.23Å
29	Q	74.3	Confident	64.5	Low	116 Å²	116	84 Å²	84	54%	0.542	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-61.6	138.2	177.3	-69.2	-179.5	-13.3	0	0	109.3	E27 L31	E27-Q29 PolarHBondContact O-N 2.79Å; Q29-L31 PolarHBondContact O-N 2.96Å
30	P	85.9	Confident	66.9	Low	46 Å²	46	76.4 Å²	76.4	30%	0.299	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60	136.6	-178.2	26.8	-35.4	0	0	0	109.8	Q32 Q77	P30-Q32 PolarHBondContact O-N 3.14Å; P30-Q77 HydrophobicContact CB-CB 4.19Å; P30-Q77 VanDerWaalsContact CB-OE1 3.25Å
31	L	91.2	Very high	69.2	Low	17 Å²	17	76.9 Å²	76.9	9%	0.089	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-72.1	118.5	173.4	-176.9	64.3	0	0	0	108.8	Q29 T74 V76 Q77 E78 V137 L153	Q29-L31 PolarHBondContact O-N 2.96Å; L31-T74 HydrophobicContact CD2-CG2 4.34Å; L31-V76 HydrophobicContact CD2-CG2 3.85Å; L31-V76 HydrophobicContact CG-CG2 4.15Å; L31-V76 WeakPolarHBondContact O-CG1 3.43Å; L31-Q77 PolarHBondContact O-N 3.09Å; L31-E78 PolarHBondContact O-N 2.73Å; L31-V137 HydrophobicContact CD1-CG2 4.48Å; L31-L153 HydrophobicContact CD1-CD1 4.16Å; L31-L153 HydrophobicContact CD1-CD2 3.81Å; L31-L153 HydrophobicContact CD2-CD2 3.88Å; L31-L153 HydrophobicContact CG-CD2 4.46Å
32	Q	94.7	Very high	71.4	Confident	11 Å²	11	80.2 Å²	80.2	5%	0.051	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	152.9	179.7	-57	-178.4	-62	0	0	110.4	P30 E78 L131 R133 F136 V137	P30-Q32 PolarHBondContact O-N 3.14Å; Q32-E78 CarbonylContact C-O 3.55Å; Q32-E78 WeakPolarHBondContact CA-O 3.37Å; Q32-E78 HydrophobicContact CG-CB 4.35Å; Q32-E78 PolarHBondContact NE2-OE2 3.12Å; Q32-L131 PolarHBondContact NE2-O 3.21Å; Q32-R133 VanDerWaalsContact OE1-N 3.1Å; Q32-F136 HydrophobicContact CB-CB 4.45Å; Q32-F136 CarbonylContact O-C 3.5Å; Q32-F136 WeakPolarHBondContact O-CA 3.27Å; Q32-F136 WeakPolarHBondContact O-CB 3.44Å; Q32-V137 PolarHBondContact O-N 3.28Å
33	A	95.4	Very high	73.7	Confident	0 Å²	0	79 Å²	79	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.3	172	0	0	0	0	0	111.7	L71 V76 E78 T79 F80 V137	A33-L71 HydrophobicContact CB-CD1 4.11Å; A33-L71 HydrophobicContact CB-CD2 3.94Å; A33-V76 HydrophobicContact CB-CG1 3.65Å; A33-V76 HydrophobicContact CB-CG2 4.32Å; A33-E78 PolarHBondContact N-O 3.43Å; A33-T79 HydrophobicContact CB-CG2 4.3Å; A33-T79 CarbonylContact O-C 3.57Å; A33-T79 WeakPolarHBondContact O-CA 3.48Å; A33-F80 PolarHBondContact O-N 3.31Å; A33-V137 CarbonylContact C-O 3.59Å; A33-V137 VanDerWaalsContact CA-O 3.26Å; A33-V137 WeakPolarHBondContact CA-O 3.37Å; A33-V137 HydrophobicContact CB-CB 4.12Å
34	V	95.9	Very high	76.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.8	170.8	174.4	0	0	0	0	107.1	V36 F82 V126 V132 F136 V137 L138 V139	V34-V36 HydrophobicContact CG1-CG2 4.41Å; V34-F82 HydrophobicContact CG1-CD2 3.91Å; V34-F82 HydrophobicContact CG1-CE2 3.8Å; V34-V126 HydrophobicContact CG1-CG2 4.31Å; V34-V126 HydrophobicContact CG2-CG2 4.23Å; V34-V132 HydrophobicContact CG2-CG2 3.92Å; V34-F136 HydrophobicContact CB-CD2 4.03Å; V34-F136 HydrophobicContact CB-CE2 4.1Å; V34-F136 HydrophobicContact CG2-CD2 3.65Å; V34-F136 HydrophobicContact CG2-CE2 3.82Å; V34-V137 PolarHBondContact N-O 2.91Å; V34-L138 HydrophobicContact CB-CD1 4.19Å; V34-L138 HydrophobicContact CG1-CD1 3.98Å; V34-V139 PolarHBondContact O-N 2.91Å
35	L	95.6	Very high	78.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117	178.2	-172.3	159.9	0	0	0	109	A37 I64 T67 L68 L71 T79 F80 V81 F82 V139	L35-A37 HydrophobicContact CD2-CB 3.99Å; L35-I64 HydrophobicContact CD1-CG1 4.49Å; L35-I64 HydrophobicContact CD2-CD1 4.19Å; L35-I64 HydrophobicContact CD2-CG1 4.38Å; L35-T67 HydrophobicContact CD1-CG2 3.78Å; L35-T67 HydrophobicContact CG-CG2 4.42Å; L35-L68 HydrophobicContact CD1-CD2 3.8Å; L35-L68 HydrophobicContact CD1-CG 4.23Å; L35-L71 HydrophobicContact CD1-CD1 4.02Å; L35-T79 HydrophobicContact CB-CG2 3.88Å; L35-T79 HydrophobicContact CD1-CG2 4.46Å; L35-F80 PolarHBondContact N-O 3.23Å; L35-V81 HydrophobicContact CB-CG2 4.22Å; L35-V81 HydrophobicContact CD2-CG1 4.12Å; L35-V81 HydrophobicContact CD2-CG2 4.32Å; L35-V81 WeakPolarHBondContact O-CA 3.46Å; L35-F82 PolarHBondContact O-N 3.05Å; L35-V139 WeakPolarHBondContact CA-O 3.49Å; L35-V139 HydrophobicContact CB-CG1 4.2Å; L35-V139 HydrophobicContact CG-CG1 4.22Å
36	V	94.4	Very high	80.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.1	175.9	-168.8	0	0	0	0	108.2	V34 D38 F40 L119 V122 L138 V139 Y140 G141	V34-V36 HydrophobicContact CG1-CG2 4.41Å; V36-D38 WeakPolarHBondContact CG1-O 3.4Å; V36-D38 PolarHBondContact O-N 3.3Å; V36-F40 HydrophobicContact CG1-CE2 3.76Å; V36-F40 HydrophobicContact CG1-CZ 4.28Å; V36-L119 HydrophobicContact CB-CD1 4.46Å; V36-L119 HydrophobicContact CG2-CD1 3.61Å; V36-V122 HydrophobicContact CG1-CG2 4.42Å; V36-V122 HydrophobicContact CG2-CG1 4.15Å; V36-L138 HydrophobicContact CG2-CD1 4.34Å; V36-V139 PolarHBondContact N-O 2.88Å; V36-Y140 HydrophobicContact CB-CD1 4.03Å; V36-Y140 HydrophobicContact CB-CE1 4.36Å; V36-Y140 HydrophobicContact CG1-CD1 4.36Å; V36-Y140 HydrophobicContact CG1-CE1 4.4Å; V36-Y140 CarbonylContact O-C 3.6Å; V36-Y140 WeakPolarHBondContact O-CA 3.39Å; V36-G141 PolarHBondContact O-N 3.42Å
37	A	89.2	Confident	82.3	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	23%	0.225	C	C	.	.			trans	-77	-17.9	-175.6	0	0	0	0	0	112.2	L35 A54 I64 V81 F82 I90	L35-A37 HydrophobicContact CD2-CB 3.99Å; A37-A54 HydrophobicContact CB-CB 4.46Å; A37-A54 VanDerWaalsContact O-CB 3.26Å; A37-A54 WeakPolarHBondContact O-CB 3.46Å; A37-I64 HydrophobicContact CB-CD1 4.16Å; A37-V81 HydrophobicContact CB-CG1 4.06Å; A37-F82 WeakPolarHBondContact CB-O 3.48Å; A37-F82 PolarHBondContact N-O 2.71Å; A37-I90 HydrophobicContact CB-CD1 4.13Å
38	D	85.5	Confident	84.1	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	19%	0.187	C	C	.	.			trans	-94.7	151.9	172.9	-149.7	-28.4	0	0	0	111.1	V36 F40 W85	V36-D38 WeakPolarHBondContact CG1-O 3.4Å; V36-D38 PolarHBondContact O-N 3.3Å; D38-F40 HydrophobicContact CB-CD1 4.35Å; D38-F40 HydrophobicContact CB-CE1 3.95Å; D38-F40 HydrophobicContact CB-CE2 4.43Å; D38-F40 HydrophobicContact CB-CZ 4Å; D38-F40 PolarHBondContact OD1-N 2.99Å; D38-W85 WeakPolarHBondContact OD2-CB 3.45Å; D38-W85 PolarHBondContact OD2-N 3.36Å
39	S	72.8	Confident	85.3	Confident	7 Å²	7	33.7 Å²	33.7	5%	0.049	16%	0.156	C	C	.	.			trans	-112.2	-10.3	-177.6	-60.5	0	0	0	0	113.3	N41 R53	S39-N41 PolarHBondContact O-N 3.09Å; S39-N41 PolarHBondContact O-OD1 3.29Å; S39-R53 PolarHBondContact OG-NE 3.04Å; S39-R53 PolarHBondContact OG-NH2 3.39Å
40	F	79.4	Confident	85.8	Confident	55 Å²	55	30 Å²	30	24%	0.241	14%	0.139	C	C	.	.			trans	55.2	12.7	177.2	-50.4	-67.7	0	0	0	115.5	V36 D38 C84 Y116 R117 S118 V122	V36-F40 HydrophobicContact CG1-CE2 3.76Å; V36-F40 HydrophobicContact CG1-CZ 4.28Å; D38-F40 HydrophobicContact CB-CD1 4.35Å; D38-F40 HydrophobicContact CB-CE1 3.95Å; D38-F40 HydrophobicContact CB-CE2 4.43Å; D38-F40 HydrophobicContact CB-CZ 4Å; D38-F40 PolarHBondContact OD1-N 2.99Å; F40-C84 HydrophobicContact CE1-CB 4.32Å; F40-Y116 WeakPolarHBondContact CE1-O 3.17Å; F40-R117 VanDerWaalsContact CD1-O 3.27Å; F40-R117 WeakPolarHBondContact CD1-O 3.49Å; F40-R117 WeakPolarHBondContact CG-O 3.31Å; F40-S118 VanDerWaalsContact CE2-C 3.48Å; F40-V122 HydrophobicContact CE2-CG2 4.36Å; F40-V122 HydrophobicContact CZ-CG2 3.99Å
41	N	78.6	Confident	85.8	Confident	81 Å²	81	30.2 Å²	30.2	43%	0.433	14%	0.136	S	C	.	.			trans	-114.9	140.8	-178.7	-67.6	-2.9	0	0	0	110.3	S39 R43	S39-N41 PolarHBondContact O-N 3.09Å; S39-N41 PolarHBondContact O-OD1 3.29Å; N41-R43 VanDerWaalsContact C-N 3.27Å; N41-R43 HydrophobicContact CB-CG 4.31Å; N41-R43 PolarHBondContact O-N 3.24Å
42	R	78.6	Confident	85.7	Confident	171 Å²	171	29.6 Å²	29.6	65%	0.645	13%	0.134	S	C	*	.			trans	-82.3	8.1	179.1	-65.3	-178.6	168.9	-168.6	-9.7	114.4	F44 F45 D449	R42-F44 VanDerWaalsContact C-N 3.31Å; R42-F44 PolarHBondContact O-N 3.13Å; R42-F44 VanDerWaalsContact O-N 3.16Å; R42-F45 HydrophobicContact CB-CD1 4.14Å; R42-F45 HydrophobicContact CB-CD2 4.25Å; R42-F45 HydrophobicContact CB-CE1 4.26Å; R42-F45 HydrophobicContact CB-CE2 4.33Å; R42-F45 HydrophobicContact CB-CG 4.19Å; R42-F45 HydrophobicContact CB-CZ 4.36Å; R42-F45 HydrophobicContact CG-CD2 4.4Å; R42-F45 HydrophobicContact CG-CE1 4.25Å; R42-F45 HydrophobicContact CG-CE2 4Å; R42-F45 HydrophobicContact CG-CZ 3.95Å; R42-F45 VanDerWaalsContact O-CB 3.26Å; R42-F45 WeakPolarHBondContact O-CB 3.39Å; R42-F45 VanDerWaalsContact O-CD1 3.27Å; R42-F45 WeakPolarHBondContact O-CD1 3.43Å; R42-F45 WeakPolarHBondContact O-CG 3.44Å; R42-F45 PolarHBondContact O-N 2.91Å; R42-D449 IonicContact NH2-OD2 3.88Å
43	R	77.9	Confident	85.5	Confident	56 Å²	56	29.9 Å²	29.9	21%	0.211	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.9	-170.4	-66.7	-162.3	179.2	-163	-13.2	115.8	N41 F45 E186 N290 L503	N41-R43 VanDerWaalsContact C-N 3.27Å; N41-R43 HydrophobicContact CB-CG 4.31Å; N41-R43 PolarHBondContact O-N 3.24Å; R43-F45 VanDerWaalsContact C-N 3.29Å; R43-E186 IonicContact CZ-OE2 3.2Å; R43-E186 IonicContact NH1-OE2 3.76Å; R43-E186 PolarHBondContact NH1-OE2 3Å; R43-E186 IonicContact NH2-OE2 3.78Å; R43-E186 PolarHBondContact NH2-OE2 3.33Å; R43-N290 WeakPolarHBondContact CD-OD1 3.35Å; R43-N290 PolarHBondContact NH1-ND2 2.83Å; R43-N290 PolarHBondContact NH1-OD1 3.1Å; R43-L503 WeakPolarHBondContact O-CD1 3.32Å
44	F	83.1	Confident	85.3	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.018	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	13.6	-179.6	-83.5	-100.7	0	0	0	113.1	R42 V47 T48 R53 L56 V288 S289 L291 L503	R42-F44 VanDerWaalsContact C-N 3.31Å; R42-F44 PolarHBondContact O-N 3.13Å; R42-F44 VanDerWaalsContact O-N 3.16Å; F44-V47 WeakPolarHBondContact O-CA 3.06Å; F44-V47 VanDerWaalsContact O-CB 3.31Å; F44-V47 WeakPolarHBondContact O-CB 3.14Å; F44-V47 PolarHBondContact O-N 2.94Å; F44-T48 HydrophobicContact CB-CG2 3.4Å; F44-T48 VanDerWaalsContact CB-CG2 3.4Å; F44-T48 HydrophobicContact CG-CG2 4.34Å; F44-T48 PolarHBondContact O-N 3.28Å; F44-T48 PolarHBondContact O-OG1 2.84Å; F44-R53 VanDerWaalsContact CD2-CD 3.41Å; F44-R53 HydrophobicContact CD2-CG 4.34Å; F44-R53 VanDerWaalsContact CE2-CD 3.45Å; F44-R53 HydrophobicContact CE2-CG 4.4Å; F44-L56 HydrophobicContact CD1-CD1 3.72Å; F44-L56 HydrophobicContact CE1-CD1 3.88Å; F44-L56 HydrophobicContact CG-CD1 4.49Å; F44-V288 HydrophobicContact CZ-CG1 3.88Å; F44-S289 WeakPolarHBondContact CE2-O 3.32Å; F44-L291 HydrophobicContact CD1-CD2 4.08Å; F44-L291 HydrophobicContact CE1-CD2 3.53Å; F44-L291 HydrophobicContact CE1-CG 4.37Å; F44-L291 HydrophobicContact CZ-CD2 4.33Å; F44-L503 HydrophobicContact CB-CD1 4.49Å
45	F	81.2	Confident	85.1	Confident	55 Å²	55	30.7 Å²	30.7	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	134.8	176.7	-78.6	31.6	0	0	0	108.6	R42 R43 T48	R42-F45 HydrophobicContact CB-CD1 4.14Å; R42-F45 HydrophobicContact CB-CD2 4.25Å; R42-F45 HydrophobicContact CB-CE1 4.26Å; R42-F45 HydrophobicContact CB-CE2 4.33Å; R42-F45 HydrophobicContact CB-CG 4.19Å; R42-F45 HydrophobicContact CB-CZ 4.36Å; R42-F45 HydrophobicContact CG-CD2 4.4Å; R42-F45 HydrophobicContact CG-CE1 4.25Å; R42-F45 HydrophobicContact CG-CE2 4Å; R42-F45 HydrophobicContact CG-CZ 3.95Å; R42-F45 VanDerWaalsContact O-CB 3.26Å; R42-F45 WeakPolarHBondContact O-CB 3.39Å; R42-F45 VanDerWaalsContact O-CD1 3.27Å; R42-F45 WeakPolarHBondContact O-CD1 3.43Å; R42-F45 WeakPolarHBondContact O-CG 3.44Å; R42-F45 PolarHBondContact O-N 2.91Å; R43-F45 VanDerWaalsContact C-N 3.29Å; F45-T48 WeakPolarHBondContact CD1-OG1 3.23Å; F45-T48 WeakPolarHBondContact CE1-OG1 3.3Å
46	P	83.1	Confident	84.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.2	-0.7	9.9	34.8	-33.2	0	0	0	115.5	T48 K49 V436 S438 W486	P46-T48 VanDerWaalsContact C-N 3.29Å; P46-T48 PolarHBondContact O-N 2.99Å; P46-K49 WeakPolarHBondContact O-CB 3.47Å; P46-K49 PolarHBondContact O-N 3.07Å; P46-K49 VanDerWaalsContact O-N 3.15Å; P46-V436 VanDerWaalsContact CD-CG1 3.47Å; P46-V436 HydrophobicContact CG-CG1 3.77Å; P46-S438 WeakPolarHBondContact CB-OG 3.36Å; P46-S438 VanDerWaalsContact CG-CB 3.48Å; P46-W486 HydrophobicContact CB-CD2 3.89Å; P46-W486 HydrophobicContact CB-CE3 3.84Å; P46-W486 HydrophobicContact CB-CG 4.39Å; P46-W486 HydrophobicContact CB-CZ3 4.25Å; P46-W486 HydrophobicContact CG-CB 4.12Å; P46-W486 HydrophobicContact CG-CD2 3.94Å; P46-W486 HydrophobicContact CG-CE3 4.21Å; P46-W486 HydrophobicContact CG-CG 3.9Å
47	V	84.9	Confident	84.7	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-59	-39.7	-177.5	-179.4	0	0	0	0	111.7	F44 K49 D50 L56 W385 V418 Y421	F44-V47 WeakPolarHBondContact O-CA 3.06Å; F44-V47 VanDerWaalsContact O-CB 3.31Å; F44-V47 WeakPolarHBondContact O-CB 3.14Å; F44-V47 PolarHBondContact O-N 2.94Å; V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.22Å; V47-D50 PolarHBondContact O-N 3.11Å; V47-L56 HydrophobicContact CG1-CD2 4.15Å; V47-W385 HydrophobicContact CG1-CH2 3.57Å; V47-W385 HydrophobicContact CG1-CZ3 3.96Å; V47-V418 HydrophobicContact CG2-CG1 3.83Å; V47-Y421 HydrophobicContact CG1-CE2 3.87Å; V47-Y421 WeakPolarHBondContact O-CE2 3.34Å
48	T	85.1	Confident	84.7	Confident	10 Å²	10	31.1 Å²	31.1	6%	0.061	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-75.6	-7.4	-179	42.6	0	0	0	0	115.7	F44 F45 P46 D50 Q51 R53 W85	F44-T48 HydrophobicContact CB-CG2 3.4Å; F44-T48 VanDerWaalsContact CB-CG2 3.4Å; F44-T48 HydrophobicContact CG-CG2 4.34Å; F44-T48 PolarHBondContact O-N 3.28Å; F44-T48 PolarHBondContact O-OG1 2.84Å; F45-T48 WeakPolarHBondContact CD1-OG1 3.23Å; F45-T48 WeakPolarHBondContact CE1-OG1 3.3Å; P46-T48 VanDerWaalsContact C-N 3.29Å; P46-T48 PolarHBondContact O-N 2.99Å; T48-D50 PolarHBondContact O-N 3.19Å; T48-Q51 CarbonylContact C-O 3.54Å; T48-Q51 WeakPolarHBondContact CA-O 3.45Å; T48-R53 HydrophobicContact CG2-CB 3.98Å; T48-W85 PolarHBondContact O-NE1 3.36Å; T48-W85 VanDerWaalsContact O-NE1 3.15Å
49	K	83.6	Confident	84.6	Confident	44 Å²	44	30.2 Å²	30.2	19%	0.191	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-66.4	-29.4	171.1	-70.5	-165.5	173.7	-168.6	0	111.4	P46 V47 M86 H440	P46-K49 WeakPolarHBondContact O-CB 3.47Å; P46-K49 PolarHBondContact O-N 3.07Å; P46-K49 VanDerWaalsContact O-N 3.15Å; V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.22Å; K49-M86 WeakPolarHBondContact O-CE 3.37Å; K49-H440 HydrophobicContact CD-CB 4.19Å
50	D	85.6	Confident	85.2	Confident	37 Å²	37	31 Å²	31	20%	0.198	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-32.5	-178.3	-66.1	-53	0	0	0	113.4	V47 T48 K89 Y421 H440	V47-D50 PolarHBondContact O-N 3.11Å; T48-D50 PolarHBondContact O-N 3.19Å; D50-K89 PolarHBondContact O-NZ 2.88Å; D50-Y421 HydrophobicContact CB-CD2 3.32Å; D50-Y421 HydrophobicContact CB-CE2 3.68Å; D50-Y421 HydrophobicContact CB-CG 3.79Å; D50-Y421 VanDerWaalsContact OD2-CD2 3.32Å; D50-Y421 WeakPolarHBondContact OD2-CD2 3.18Å; D50-H440 IonicContact OD1-CE1 2.66Å; D50-H440 IonicContact OD1-NE2 3.18Å; D50-H440 PolarHBondContact OD1-NE2 2.86Å; D50-H440 IonicContact OD2-CD2 3.98Å; D50-H440 IonicContact OD2-NE2 3.94Å; D50-H440 PolarHBondContact OD2-NE2 2.89Å
51	Q	86.9	Confident	85.7	Confident	51 Å²	51	28.8 Å²	28.8	24%	0.238	13%	0.134	C	C	.	.	S	Bend	trans	-142.5	142	172.9	-68.5	-162.4	13.4	0	0	112	T48 L56 Y421	T48-Q51 CarbonylContact C-O 3.54Å; T48-Q51 WeakPolarHBondContact CA-O 3.45Å; Q51-L56 HydrophobicContact CB-CD2 4.42Å; Q51-Y421 WeakPolarHBondContact CB-OH 3.25Å; Q51-Y421 HydrophobicContact CG-CE1 4.15Å; Q51-Y421 WeakPolarHBondContact CG-OH 3.34Å
52	P	89.3	Confident	86.3	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.032	12%	0.117	C	C	.	.			trans	-64.5	150.6	177.8	28.5	-35	0	0	0	111.6	A54 L55 M86 I90	P52-A54 VanDerWaalsContact C-N 3.31Å; P52-A54 PolarHBondContact O-N 3.09Å; P52-L55 HydrophobicContact CG-CB 4.19Å; P52-L55 HydrophobicContact CG-CD1 3.67Å; P52-L55 HydrophobicContact CG-CG 3.86Å; P52-L55 PolarHBondContact O-N 3.48Å; P52-M86 HydrophobicContact CG-CB 4.45Å; P52-I90 HydrophobicContact CB-CD1 4.09Å; P52-I90 HydrophobicContact CB-CG1 4.36Å; P52-I90 HydrophobicContact CG-CD1 3.95Å; P52-I90 HydrophobicContact CG-CG1 3.66Å
53	R	89.6	Confident	87	Confident	16 Å²	16	17.1 Å²	17.1	6%	0.06	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-54.4	-44.4	-175	-174.9	162.6	75.6	173.5	12.8	112.8	S39 F44 T48 L55 L56 M63 D142 S289	S39-R53 PolarHBondContact OG-NE 3.04Å; S39-R53 PolarHBondContact OG-NH2 3.39Å; F44-R53 VanDerWaalsContact CD2-CD 3.41Å; F44-R53 HydrophobicContact CD2-CG 4.34Å; F44-R53 VanDerWaalsContact CE2-CD 3.45Å; F44-R53 HydrophobicContact CE2-CG 4.4Å; T48-R53 HydrophobicContact CG2-CB 3.98Å; R53-L55 PolarHBondContact O-N 3.08Å; R53-L56 HydrophobicContact CG-CD1 4.36Å; R53-L56 WeakPolarHBondContact O-CG 3.13Å; R53-L56 PolarHBondContact O-N 3.43Å; R53-M63 HydrophobicContact CG-CE 3.77Å; R53-M63 WeakPolarHBondContact O-CE 3.44Å; R53-D142 IonicContact CZ-OD2 3.47Å; R53-D142 IonicContact NE-OD2 3.48Å; R53-D142 PolarHBondContact NE-OD2 3.02Å; R53-D142 IonicContact NH2-OD2 3.54Å; R53-D142 PolarHBondContact NH2-OD2 2.87Å; R53-S289 PolarHBondContact NH1-O 3.16Å
54	A	90.6	Very high	87.7	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-61	-17.5	-179.2	0	0	0	0	0	114.5	A37 P52 M63 I64	A37-A54 HydrophobicContact CB-CB 4.46Å; A37-A54 VanDerWaalsContact O-CB 3.26Å; A37-A54 WeakPolarHBondContact O-CB 3.46Å; P52-A54 VanDerWaalsContact C-N 3.31Å; P52-A54 PolarHBondContact O-N 3.09Å; A54-M63 PolarHBondContact O-N 3.12Å; A54-I64 HydrophobicContact CB-CB 4.23Å; A54-I64 PolarHBondContact O-N 2.94Å
55	L	92.1	Very high	88.1	Confident	17 Å²	17	14.4 Å²	14.4	9%	0.089	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-95.5	-4.6	177.1	-65.6	-176.3	0	0	0	114.2	P52 R53 A62 I64 K89 I90 H93	P52-L55 HydrophobicContact CG-CB 4.19Å; P52-L55 HydrophobicContact CG-CD1 3.67Å; P52-L55 HydrophobicContact CG-CG 3.86Å; P52-L55 PolarHBondContact O-N 3.48Å; R53-L55 PolarHBondContact O-N 3.08Å; L55-A62 HydrophobicContact CD2-CB 4.29Å; L55-I64 HydrophobicContact CD2-CG2 4.03Å; L55-K89 HydrophobicContact CD1-CB 4.13Å; L55-I90 HydrophobicContact CD1-CG1 4.06Å; L55-I90 HydrophobicContact CG-CG1 4.24Å; L55-H93 HydrophobicContact CD1-CB 4.48Å; L55-H93 HydrophobicContact CD2-CB 3.86Å
56	L	91.8	Very high	88.7	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.064	C	C	.	.	S	Bend	trans	-62.1	138.1	178.6	-54.8	-178.4	0	0	0	110.1	F44 V47 Q51 R53 L58 M63 W385	F44-L56 HydrophobicContact CD1-CD1 3.72Å; F44-L56 HydrophobicContact CE1-CD1 3.88Å; F44-L56 HydrophobicContact CG-CD1 4.49Å; V47-L56 HydrophobicContact CG1-CD2 4.15Å; Q51-L56 HydrophobicContact CB-CD2 4.42Å; R53-L56 HydrophobicContact CG-CD1 4.36Å; R53-L56 WeakPolarHBondContact O-CG 3.13Å; R53-L56 PolarHBondContact O-N 3.43Å; L56-L58 PolarHBondContact O-N 2.86Å; L56-M63 HydrophobicContact CB-CE 3.96Å; L56-M63 HydrophobicContact CG-CE 4.45Å; L56-M63 WeakPolarHBondContact O-CG 3.45Å; L56-M63 PolarHBondContact O-N 3.43Å; L56-M63 VanDerWaalsContact O-N 3.11Å; L56-W385 HydrophobicContact CB-CH2 4.36Å; L56-W385 HydrophobicContact CB-CZ2 4.34Å; L56-W385 HydrophobicContact CD1-CH2 4.36Å; L56-W385 HydrophobicContact CD2-CH2 3.61Å; L56-W385 HydrophobicContact CD2-CZ2 4.4Å; L56-W385 HydrophobicContact CD2-CZ3 4.11Å; L56-W385 HydrophobicContact CG-CH2 4.29Å
57	P	91.1	Very high	89.2	Confident	12 Å²	12	11.9 Å²	11.9	8%	0.078	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.3	-170.8	30.4	-34.4	0	0	0	111.9	A61 Y294 W385	P57-A61 CarbonylContact C-O 3.6Å; P57-A61 WeakPolarHBondContact CA-O 3.45Å; P57-Y294 PolarHBondContact O-OH 3.38Å; P57-W385 HydrophobicContact CG-CB 4.24Å; P57-W385 HydrophobicContact CG-CD2 3.65Å; P57-W385 HydrophobicContact CG-CE3 4.26Å; P57-W385 HydrophobicContact CG-CG 3.63Å; P57-W385 HydrophobicContact CG-CZ2 4.45Å
58	L	89.3	Confident	89.6	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.4	166.5	-176.1	74.2	0	0	0	108.6	L56 N60 A61 M63 Y66 V144 Y294 V297 S298	L56-L58 PolarHBondContact O-N 2.86Å; L58-N60 PolarHBondContact O-N 3.43Å; L58-A61 PolarHBondContact N-O 3.11Å; L58-A61 PolarHBondContact O-N 2.95Å; L58-M63 HydrophobicContact CB-CG 4.18Å; L58-Y66 HydrophobicContact CB-CD2 4.47Å; L58-Y66 HydrophobicContact CB-CE2 3.83Å; L58-Y66 HydrophobicContact CD2-CD2 4.33Å; L58-Y66 HydrophobicContact CD2-CE2 4.07Å; L58-Y66 HydrophobicContact CG-CE2 4.28Å; L58-Y66 VanDerWaalsContact O-CE2 3.28Å; L58-Y66 WeakPolarHBondContact O-CE2 3.4Å; L58-Y66 PolarHBondContact O-OH 3.2Å; L58-V144 HydrophobicContact CD2-CG1 4.4Å; L58-V144 HydrophobicContact CD2-CG2 3.88Å; L58-Y294 HydrophobicContact CD1-CE2 4.28Å; L58-V297 HydrophobicContact CD1-CG1 4.05Å; L58-V297 HydrophobicContact CD2-CG1 3.76Å; L58-S298 WeakPolarHBondContact CD1-OG 2.99Å
59	G	82.8	Confident	89.9	Confident	10 Å²	10	12.9 Å²	12.9	10%	0.103	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	43.2	-178.7	0	0	0	0	0	113.9	A61	G59-A61 PolarHBondContact O-N 3.35Å
60	N	85.9	Confident	90.4	Very high	22 Å²	22	10.8 Å²	10.8	12%	0.118	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	8.4	178.8	-52.8	2.1	0	0	0	115.6	L58 R321 G351 I367 G368 D369	L58-N60 PolarHBondContact O-N 3.43Å; N60-R321 PolarHBondContact O-NH1 3.43Å; N60-G351 WeakPolarHBondContact ND2-CA 3.15Å; N60-I367 PolarHBondContact ND2-O 3.16Å; N60-G368 WeakPolarHBondContact OD1-CA 3.3Å; N60-D369 PolarHBondContact ND2-OD1 3.19Å
61	A	89.2	Confident	90.7	Very high	9 Å²	9	9 Å²	9	7%	0.074	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.7	168	0	0	0	0	0	110.1	P57 L58 G59 Y66 F315 T316	P57-A61 CarbonylContact C-O 3.6Å; P57-A61 WeakPolarHBondContact CA-O 3.45Å; L58-A61 PolarHBondContact N-O 3.11Å; L58-A61 PolarHBondContact O-N 2.95Å; G59-A61 PolarHBondContact O-N 3.35Å; A61-Y66 HydrophobicContact CB-CE2 3.88Å; A61-F315 HydrophobicContact CB-CZ 4.08Å; A61-T316 HydrophobicContact CB-CG2 4.2Å
62	A	91.8	Very high	90.9	Very high	8 Å²	8	7.9 Å²	7.9	7%	0.066	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	149.6	-179.4	0	0	0	0	0	111.3	L55 I64 D65 Y66	L55-A62 HydrophobicContact CD2-CB 4.29Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 HydrophobicContact CB-CG2 4.1Å; A62-I64 PolarHBondContact O-N 3.32Å; A62-D65 PolarHBondContact N-OD2 3.1Å; A62-D65 VanDerWaalsContact O-CB 3.27Å; A62-D65 WeakPolarHBondContact O-CB 3.33Å; A62-D65 PolarHBondContact O-N 3.06Å; A62-D65 VanDerWaalsContact O-N 3.07Å; A62-Y66 VanDerWaalsContact O-CD2 3.32Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å
63	M	91.9	Very high	90.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.7	-38.9	178.3	-73.7	-170	-62.2	0	0	113.3	R53 A54 L56 L58 D65 Y66 T67 G141 D142 V288	R53-M63 HydrophobicContact CG-CE 3.77Å; R53-M63 WeakPolarHBondContact O-CE 3.44Å; A54-M63 PolarHBondContact O-N 3.12Å; L56-M63 HydrophobicContact CB-CE 3.96Å; L56-M63 HydrophobicContact CG-CE 4.45Å; L56-M63 WeakPolarHBondContact O-CG 3.45Å; L56-M63 PolarHBondContact O-N 3.43Å; L56-M63 VanDerWaalsContact O-N 3.11Å; L58-M63 HydrophobicContact CB-CG 4.18Å; M63-D65 PolarHBondContact O-N 3.2Å; M63-Y66 WeakPolarHBondContact O-CB 3.25Å; M63-Y66 PolarHBondContact O-N 2.95Å; M63-T67 PolarHBondContact O-N 3.32Å; M63-T67 PolarHBondContact O-OG1 3.13Å; M63-G141 CarbonylContact C-O 3.58Å; M63-D142 HydrophobicContact CE-CB 4.21Å; M63-D142 HydrophobicContact SD-CB 4.47Å; M63-V288 HydrophobicContact SD-CB 3.88Å; M63-V288 HydrophobicContact SD-CG1 4.22Å; M63-V288 HydrophobicContact SD-CG2 3.78Å
64	I	93.4	Very high	90.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.3	-31.7	177.5	-163.8	165.6	0	0	0	112.9	L35 A37 A54 L55 A62 Y66 T67 L68 V81 I90 L94 G141	L35-I64 HydrophobicContact CD1-CG1 4.49Å; L35-I64 HydrophobicContact CD2-CD1 4.19Å; L35-I64 HydrophobicContact CD2-CG1 4.38Å; A37-I64 HydrophobicContact CB-CD1 4.16Å; A54-I64 HydrophobicContact CB-CB 4.23Å; A54-I64 PolarHBondContact O-N 2.94Å; L55-I64 HydrophobicContact CD2-CG2 4.03Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 HydrophobicContact CB-CG2 4.1Å; A62-I64 PolarHBondContact O-N 3.32Å; I64-Y66 VanDerWaalsContact C-N 3.29Å; I64-Y66 PolarHBondContact O-N 3.49Å; I64-T67 PolarHBondContact O-N 2.81Å; I64-L68 HydrophobicContact CG1-CD1 4.2Å; I64-L68 HydrophobicContact CG1-CG 4.35Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.32Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.18Å; I64-V81 HydrophobicContact CD1-CG1 4.44Å; I64-I90 HydrophobicContact CD1-CG2 4.14Å; I64-L94 HydrophobicContact CD1-CD1 4.2Å; I64-L94 HydrophobicContact CD1-CD2 4.15Å; I64-L94 HydrophobicContact CG2-CD2 4.45Å; I64-G141 WeakPolarHBondContact CA-O 3.38Å; I64-G141 PolarHBondContact N-O 3.12Å
65	D	92.4	Very high	90.9	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-35.5	179.9	-67.1	-13.6	0	0	0	110.4	A62 M63 E69 H93 W99 F315 T316	A62-D65 PolarHBondContact N-OD2 3.1Å; A62-D65 VanDerWaalsContact O-CB 3.27Å; A62-D65 WeakPolarHBondContact O-CB 3.33Å; A62-D65 PolarHBondContact O-N 3.06Å; A62-D65 VanDerWaalsContact O-N 3.07Å; M63-D65 PolarHBondContact O-N 3.2Å; D65-E69 WeakPolarHBondContact O-CB 3.45Å; D65-E69 PolarHBondContact O-N 3.37Å; D65-H93 IonicContact OD1-CD2 3.08Å; D65-H93 IonicContact OD1-CE1 3.61Å; D65-H93 IonicContact OD1-NE2 2.99Å; D65-H93 PolarHBondContact OD1-NE2 2.86Å; D65-H93 IonicContact OD2-CE1 2.66Å; D65-H93 IonicContact OD2-NE2 3.23Å; D65-H93 PolarHBondContact OD2-NE2 3.05Å; D65-W99 VanDerWaalsContact CA-CH2 3.49Å; D65-W99 HydrophobicContact CB-CH2 3.52Å; D65-W99 HydrophobicContact CB-CZ3 3.9Å; D65-W99 WeakPolarHBondContact O-CH2 3.39Å; D65-W99 VanDerWaalsContact O-CZ2 3.3Å; D65-W99 WeakPolarHBondContact O-CZ2 3.26Å; D65-W99 VanDerWaalsContact OD1-CZ3 3.27Å; D65-W99 WeakPolarHBondContact OD1-CZ3 3.36Å; D65-F315 HydrophobicContact CB-CE2 4.16Å; D65-T316 HydrophobicContact CB-CG2 4.2Å
66	Y	92.5	Very high	90.9	Very high	1 Å²	1	13 Å²	13	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-42.4	174.6	-67.8	-85.2	0	0	0	112.1	L58 A61 A62 M63 I64 E69 F70 V144 F301 F315	L58-Y66 HydrophobicContact CB-CD2 4.47Å; L58-Y66 HydrophobicContact CB-CE2 3.83Å; L58-Y66 HydrophobicContact CD2-CD2 4.33Å; L58-Y66 HydrophobicContact CD2-CE2 4.07Å; L58-Y66 HydrophobicContact CG-CE2 4.28Å; L58-Y66 VanDerWaalsContact O-CE2 3.28Å; L58-Y66 WeakPolarHBondContact O-CE2 3.4Å; L58-Y66 PolarHBondContact O-OH 3.2Å; A61-Y66 HydrophobicContact CB-CE2 3.88Å; A62-Y66 VanDerWaalsContact O-CD2 3.32Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å; M63-Y66 WeakPolarHBondContact O-CB 3.25Å; M63-Y66 PolarHBondContact O-N 2.95Å; I64-Y66 VanDerWaalsContact C-N 3.29Å; I64-Y66 PolarHBondContact O-N 3.49Å; Y66-E69 PolarHBondContact O-N 2.94Å; Y66-F70 WeakPolarHBondContact O-CB 3.34Å; Y66-F70 PolarHBondContact O-N 3.1Å; Y66-V144 HydrophobicContact CD1-CG1 4.12Å; Y66-V144 HydrophobicContact CG-CG1 4.13Å; Y66-F301 HydrophobicContact CE1-CD2 4.33Å; Y66-F301 AromaticContact CE1-CE2 3.68Å; Y66-F301 HydrophobicContact CE1-CE2 3.68Å; Y66-F301 HydrophobicContact CE1-CZ 4.21Å; Y66-F301 AromaticContact CZ-CE2 3.95Å; Y66-F301 WeakPolarHBondContact OH-CE2 3.4Å; Y66-F301 WeakPolarHBondContact OH-CZ 3.36Å; Y66-F315 HydrophobicContact CD1-CE1 4.16Å; Y66-F315 AromaticContact CD1-CZ 3.72Å; Y66-F315 HydrophobicContact CD1-CZ 3.72Å; Y66-F315 HydrophobicContact CD2-CZ 4.36Å; Y66-F315 AromaticContact CE1-CE1 3.61Å; Y66-F315 HydrophobicContact CE1-CE1 3.61Å; Y66-F315 AromaticContact CE1-CZ 3.52Å; Y66-F315 HydrophobicContact CE1-CZ 3.52Å; Y66-F315 HydrophobicContact CE2-CZ 4.2Å; Y66-F315 HydrophobicContact CG-CZ 4.15Å; Y66-F315 AromaticContact CZ-CE1 3.99Å; Y66-F315 AromaticContact CZ-CZ 3.79Å
67	T	93.6	Very high	90.9	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-43.3	177.1	-46.4	0	0	0	0	111.1	L35 M63 I64 E69 F70 L71 V139 Y140 G141 V143	L35-T67 HydrophobicContact CD1-CG2 3.78Å; L35-T67 HydrophobicContact CG-CG2 4.42Å; M63-T67 PolarHBondContact O-N 3.32Å; M63-T67 PolarHBondContact O-OG1 3.13Å; I64-T67 PolarHBondContact O-N 2.81Å; T67-E69 VanDerWaalsContact C-N 3.35Å; T67-F70 WeakPolarHBondContact O-CB 3.36Å; T67-F70 PolarHBondContact O-N 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 3.42Å; T67-V139 HydrophobicContact CG2-CG1 4Å; T67-V139 HydrophobicContact CG2-CG2 3.72Å; T67-Y140 WeakPolarHBondContact CG2-O 3.19Å; T67-G141 PolarHBondContact OG1-O 3.33Å; T67-V143 PolarHBondContact OG1-O 3.01Å
68	L	93.3	Very high	91.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-36.9	177.6	-71.7	173.8	0	0	0	112.2	L35 I64 L71 T72 T79 L94 W99 I108	L35-L68 HydrophobicContact CD1-CD2 3.8Å; L35-L68 HydrophobicContact CD1-CG 4.23Å; I64-L68 HydrophobicContact CG1-CD1 4.2Å; I64-L68 HydrophobicContact CG1-CG 4.35Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.32Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.18Å; L68-L71 PolarHBondContact O-N 3.09Å; L68-T72 WeakPolarHBondContact O-CB 3.14Å; L68-T72 PolarHBondContact O-N 2.93Å; L68-T72 PolarHBondContact O-OG1 3.12Å; L68-T79 HydrophobicContact CD2-CG2 4.23Å; L68-L94 HydrophobicContact CD1-CD2 3.54Å; L68-W99 HydrophobicContact CB-CD2 3.84Å; L68-W99 HydrophobicContact CB-CE3 4.27Å; L68-W99 HydrophobicContact CB-CG 4.29Å; L68-W99 HydrophobicContact CB-CH2 4.39Å; L68-W99 HydrophobicContact CB-CZ2 3.87Å; L68-W99 HydrophobicContact CD1-CD2 3.88Å; L68-W99 HydrophobicContact CD1-CE3 3.69Å; L68-W99 HydrophobicContact CD1-CG 4.33Å; L68-W99 HydrophobicContact CD1-CZ3 4.21Å; L68-W99 HydrophobicContact CG-CD2 4.5Å; L68-I108 HydrophobicContact CD1-CD1 3.62Å; L68-I108 HydrophobicContact CD2-CD1 3.61Å; L68-I108 HydrophobicContact CD2-CG1 4.36Å; L68-I108 HydrophobicContact CG-CD1 4.23Å
69	E	92.1	Very high	91.3	Very high	34 Å²	34	20.2 Å²	20.2	16%	0.159	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-43.8	173.8	-169	61.8	-175.7	0	0	111.7	D65 Y66 T67 L71 T72 S73 K98 W99 L309 F315	D65-E69 WeakPolarHBondContact O-CB 3.45Å; D65-E69 PolarHBondContact O-N 3.37Å; Y66-E69 PolarHBondContact O-N 2.94Å; T67-E69 VanDerWaalsContact C-N 3.35Å; E69-L71 PolarHBondContact O-N 2.92Å; E69-T72 CarbonylContact O-C 3.58Å; E69-T72 WeakPolarHBondContact O-CB 3.36Å; E69-T72 PolarHBondContact O-N 3.4Å; E69-T72 VanDerWaalsContact O-N 3.16Å; E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.22Å; E69-K98 VanDerWaalsContact CD-NZ 3.32Å; E69-K98 IonicContact OE1-NZ 3.08Å; E69-K98 PolarHBondContact OE1-NZ 3.16Å; E69-K98 WeakPolarHBondContact OE2-CE 3.4Å; E69-K98 IonicContact OE2-NZ 3.94Å; E69-K98 PolarHBondContact OE2-NZ 3.02Å; E69-W99 HydrophobicContact CB-CZ2 4.25Å; E69-L309 HydrophobicContact CB-CD2 4.16Å; E69-L309 HydrophobicContact CG-CD2 3.38Å; E69-F315 HydrophobicContact CB-CD2 4.08Å; E69-F315 HydrophobicContact CB-CE2 4.31Å; E69-F315 HydrophobicContact CG-CD2 4.03Å
70	F	92.6	Very high	91.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-47.3	174.3	163.5	-103.5	0	0	0	112.7	Y66 T67 T72 S73 T74 S145 I147 I149 I237	Y66-F70 WeakPolarHBondContact O-CB 3.34Å; Y66-F70 PolarHBondContact O-N 3.1Å; T67-F70 WeakPolarHBondContact O-CB 3.36Å; T67-F70 PolarHBondContact O-N 3.26Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.9Å; F70-S73 WeakPolarHBondContact CA-OG 3.41Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.1Å; F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 2.89Å; F70-T74 PolarHBondContact O-OG1 2.87Å; F70-S145 WeakPolarHBondContact CB-O 3.43Å; F70-S145 WeakPolarHBondContact CD2-O 3.45Å; F70-S145 WeakPolarHBondContact CE2-OG 3.15Å; F70-I147 VanDerWaalsContact CE2-O 3.28Å; F70-I147 WeakPolarHBondContact CE2-O 3.5Å; F70-I149 HydrophobicContact CE2-CG2 4.43Å; F70-I149 HydrophobicContact CZ-CG2 3.96Å; F70-I237 HydrophobicContact CE1-CD1 3.9Å; F70-I237 HydrophobicContact CE1-CG1 4.29Å; F70-I237 HydrophobicContact CE1-CG2 4.26Å; F70-I237 HydrophobicContact CE2-CD1 4.25Å; F70-I237 HydrophobicContact CZ-CD1 3.62Å; F70-I237 HydrophobicContact CZ-CG1 4.39Å; F70-I237 HydrophobicContact CZ-CG2 4.22Å
71	L	93.2	Very high	92.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-38.7	176.5	-68.9	174.8	0	0	0	111.4	A33 L35 T67 L68 E69 T74 G75 V76 T79 V137 V139	A33-L71 HydrophobicContact CB-CD1 4.11Å; A33-L71 HydrophobicContact CB-CD2 3.94Å; L35-L71 HydrophobicContact CD1-CD1 4.02Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 3.09Å; E69-L71 PolarHBondContact O-N 2.92Å; L71-T74 WeakPolarHBondContact O-CB 3.42Å; L71-T74 PolarHBondContact O-N 2.95Å; L71-G75 PolarHBondContact O-N 3Å; L71-V76 HydrophobicContact CB-CB 4.28Å; L71-V76 HydrophobicContact CB-CG2 4.21Å; L71-V76 HydrophobicContact CD2-CG2 4.08Å; L71-V76 WeakPolarHBondContact O-CB 3.23Å; L71-V76 WeakPolarHBondContact O-CG2 3.23Å; L71-V76 PolarHBondContact O-N 3.25Å; L71-V76 VanDerWaalsContact O-N 3.08Å; L71-T79 HydrophobicContact CD1-CG2 3.8Å; L71-V137 HydrophobicContact CD2-CG1 4.18Å; L71-V139 HydrophobicContact CD1-CG1 4.01Å; L71-V139 HydrophobicContact CD2-CG1 4.1Å; L71-V139 HydrophobicContact CG-CG1 4.42Å
72	T	91.2	Very high	92.6	Very high	27 Å²	27	19 Å²	19	17%	0.166	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-43.5	178.2	-55.6	0	0	0	0	111.5	L68 E69 F70 T74 G75 W99 P105 N106	L68-T72 WeakPolarHBondContact O-CB 3.14Å; L68-T72 PolarHBondContact O-N 2.93Å; L68-T72 PolarHBondContact O-OG1 3.12Å; E69-T72 CarbonylContact O-C 3.58Å; E69-T72 WeakPolarHBondContact O-CB 3.36Å; E69-T72 PolarHBondContact O-N 3.4Å; E69-T72 VanDerWaalsContact O-N 3.16Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.9Å; T72-T74 PolarHBondContact O-N 3.12Å; T72-G75 PolarHBondContact O-N 3.35Å; T72-W99 PolarHBondContact OG1-NE1 3.13Å; T72-P105 HydrophobicContact CG2-CG 3.68Å; T72-N106 HydrophobicContact CG2-CB 4.46Å
73	S	89.4	Confident	92.6	Very high	84 Å²	84	18.7 Å²	18.7	59%	0.587	11%	0.111	S	C	*	.	H	α-helix	trans	-66.2	-29.4	177	61.1	0	0	0	0	112.9	E69 F70 G75	E69-S73 PolarHBondContact O-N 2.89Å; E69-S73 PolarHBondContact O-OG 3.22Å; F70-S73 WeakPolarHBondContact CA-OG 3.41Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.1Å; S73-G75 PolarHBondContact O-N 3.01Å
74	T	89.9	Confident	92.4	Very high	18 Å²	18	19.9 Å²	19.9	11%	0.11	12%	0.12	C	C	.	.	H	α-helix	trans	-68.6	-23.3	173.4	-65.5	0	0	0	0	112.5	L31 F70 L71 T72 V76 I149	L31-T74 HydrophobicContact CD2-CG2 4.34Å; F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 2.89Å; F70-T74 PolarHBondContact O-OG1 2.87Å; L71-T74 WeakPolarHBondContact O-CB 3.42Å; L71-T74 PolarHBondContact O-N 2.95Å; T72-T74 PolarHBondContact O-N 3.12Å; T74-V76 HydrophobicContact CG2-CG2 4.22Å; T74-I149 HydrophobicContact CG2-CD1 3.47Å; T74-I149 VanDerWaalsContact CG2-CD1 3.47Å; T74-I149 HydrophobicContact CG2-CG1 3.27Å
75	G	90	Very high	91.9	Very high	43 Å²	43	25 Å²	25	44%	0.443	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	23.3	-176.5	0	0	0	0	0	114.4	L71 T72 S73	L71-G75 PolarHBondContact O-N 3Å; T72-G75 PolarHBondContact O-N 3.35Å; S73-G75 PolarHBondContact O-N 3.01Å
76	V	92.8	Very high	91.6	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.15	C	C	.	.			trans	-66.4	131.6	169.8	177.5	0	0	0	0	109.5	L31 A33 L71 T74 E78 N106	L31-V76 HydrophobicContact CD2-CG2 3.85Å; L31-V76 HydrophobicContact CG-CG2 4.15Å; L31-V76 WeakPolarHBondContact O-CG1 3.43Å; A33-V76 HydrophobicContact CB-CG1 3.65Å; A33-V76 HydrophobicContact CB-CG2 4.32Å; L71-V76 HydrophobicContact CB-CB 4.28Å; L71-V76 HydrophobicContact CB-CG2 4.21Å; L71-V76 HydrophobicContact CD2-CG2 4.08Å; L71-V76 WeakPolarHBondContact O-CB 3.23Å; L71-V76 WeakPolarHBondContact O-CG2 3.23Å; L71-V76 PolarHBondContact O-N 3.25Å; L71-V76 VanDerWaalsContact O-N 3.08Å; T74-V76 HydrophobicContact CG2-CG2 4.22Å; V76-E78 VanDerWaalsContact CG1-O 3.32Å; V76-E78 WeakPolarHBondContact CG1-O 3.33Å; V76-N106 WeakPolarHBondContact O-CB 3.48Å
77	Q	91.7	Very high	91.4	Very high	105 Å²	105	28.1 Å²	28.1	49%	0.491	16%	0.157	S	C	.	.			trans	-95.8	-35	-177.4	-64.4	-177.3	12.1	0	0	112.5	P30 L31 N106 T107	P30-Q77 HydrophobicContact CB-CB 4.19Å; P30-Q77 VanDerWaalsContact CB-OE1 3.25Å; L31-Q77 PolarHBondContact O-N 3.09Å; Q77-N106 CarbonylContact O-C 3.52Å; Q77-N106 WeakPolarHBondContact O-CA 3.46Å; Q77-N106 PolarHBondContact O-OD1 2.81Å; Q77-T107 PolarHBondContact O-N 3.4Å; Q77-T107 PolarHBondContact O-OG1 3.2Å
78	E	93.4	Very high	91.3	Very high	58 Å²	58	32.6 Å²	32.6	27%	0.271	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130	179.5	-63.6	-178.3	166.7	0	0	110.4	L31 Q32 A33 V76 T107	L31-E78 PolarHBondContact O-N 2.73Å; Q32-E78 CarbonylContact C-O 3.55Å; Q32-E78 WeakPolarHBondContact CA-O 3.37Å; Q32-E78 HydrophobicContact CG-CB 4.35Å; Q32-E78 PolarHBondContact NE2-OE2 3.12Å; A33-E78 PolarHBondContact N-O 3.43Å; V76-E78 VanDerWaalsContact CG1-O 3.32Å; V76-E78 WeakPolarHBondContact CG1-O 3.33Å; E78-T107 WeakPolarHBondContact CA-O 3.31Å
79	T	95.1	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123	176.3	-54.2	0	0	0	0	110.7	A33 L35 L68 L71 V81 N106 T107 I108 H109	A33-T79 HydrophobicContact CB-CG2 4.3Å; A33-T79 CarbonylContact O-C 3.57Å; A33-T79 WeakPolarHBondContact O-CA 3.48Å; L35-T79 HydrophobicContact CB-CG2 3.88Å; L35-T79 HydrophobicContact CD1-CG2 4.46Å; L68-T79 HydrophobicContact CD2-CG2 4.23Å; L71-T79 HydrophobicContact CD1-CG2 3.8Å; T79-V81 HydrophobicContact CG2-CG2 4.13Å; T79-N106 PolarHBondContact N-OD1 3.03Å; T79-N106 VanDerWaalsContact OG1-CG 3.27Å; T79-N106 PolarHBondContact OG1-ND2 2.84Å; T79-N106 PolarHBondContact OG1-OD1 3.45Å; T79-T107 PolarHBondContact N-O 2.63Å; T79-I108 WeakPolarHBondContact O-CA 3.25Å; T79-H109 PolarHBondContact O-N 3.06Å
80	F	95.3	Very high	91.2	Very high	15 Å²	15	35.1 Å²	35.1	7%	0.066	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.5	172.4	-60.3	-78.7	0	0	0	109.4	A33 L35 F82 H109 I111 L131	A33-F80 PolarHBondContact O-N 3.31Å; L35-F80 PolarHBondContact N-O 3.23Å; F80-F82 HydrophobicContact CB-CD2 4.45Å; F80-F82 HydrophobicContact CB-CE2 3.78Å; F80-F82 HydrophobicContact CB-CZ 4.48Å; F80-H109 WeakPolarHBondContact CA-O 3.45Å; F80-H109 HydrophobicContact CD1-CB 3.64Å; F80-H109 HydrophobicContact CE1-CB 3.95Å; F80-H109 AromaticContact CE1-CD2 3.76Å; F80-H109 AromaticContact CE1-CG 3.95Å; F80-I111 HydrophobicContact CD1-CD1 4.19Å; F80-L131 HydrophobicContact CD1-CD1 4.27Å; F80-L131 HydrophobicContact CE1-CB 4.3Å; F80-L131 HydrophobicContact CE1-CD2 4.15Å; F80-L131 HydrophobicContact CE2-CB 4.33Å; F80-L131 HydrophobicContact CZ-CB 4.19Å
81	V	95.1	Very high	91.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.6	179.7	176.6	0	0	0	0	109	L35 A37 I64 T79 L94 I108 H109 I111	L35-V81 HydrophobicContact CB-CG2 4.22Å; L35-V81 HydrophobicContact CD2-CG1 4.12Å; L35-V81 HydrophobicContact CD2-CG2 4.32Å; L35-V81 WeakPolarHBondContact O-CA 3.46Å; A37-V81 HydrophobicContact CB-CG1 4.06Å; I64-V81 HydrophobicContact CD1-CG1 4.44Å; T79-V81 HydrophobicContact CG2-CG2 4.13Å; V81-L94 HydrophobicContact CG1-CD1 4.06Å; V81-I108 HydrophobicContact CB-CG2 4.31Å; V81-I108 HydrophobicContact CG2-CG2 3.64Å; V81-H109 PolarHBondContact N-O 3.28Å; V81-I111 PolarHBondContact O-N 2.92Å
82	F	94.2	Very high	91.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.2	177.6	-70.8	-92	0	0	0	110.7	V34 L35 A37 F80 I111 Y116 V122 V126 L131	V34-F82 HydrophobicContact CG1-CD2 3.91Å; V34-F82 HydrophobicContact CG1-CE2 3.8Å; L35-F82 PolarHBondContact O-N 3.05Å; A37-F82 WeakPolarHBondContact CB-O 3.48Å; A37-F82 PolarHBondContact N-O 2.71Å; F80-F82 HydrophobicContact CB-CD2 4.45Å; F80-F82 HydrophobicContact CB-CE2 3.78Å; F80-F82 HydrophobicContact CB-CZ 4.48Å; F82-I111 HydrophobicContact CD1-CB 4.02Å; F82-I111 HydrophobicContact CD1-CG2 3.99Å; F82-I111 HydrophobicContact CE1-CB 4.03Å; F82-I111 HydrophobicContact CE1-CD1 3.76Å; F82-I111 HydrophobicContact CE1-CG1 4.5Å; F82-I111 HydrophobicContact CE1-CG2 3.86Å; F82-I111 HydrophobicContact CE2-CD1 4.35Å; F82-I111 HydrophobicContact CZ-CD1 3.65Å; F82-Y116 AromaticContact CD1-CE2 3.87Å; F82-Y116 HydrophobicContact CD1-CE2 3.87Å; F82-Y116 AromaticContact CD1-CZ 3.99Å; F82-V122 HydrophobicContact CB-CG1 3.79Å; F82-V122 HydrophobicContact CB-CG2 4.3Å; F82-V122 HydrophobicContact CD1-CG1 3.65Å; F82-V122 HydrophobicContact CD2-CG1 3.6Å; F82-V122 HydrophobicContact CE1-CG1 4.09Å; F82-V122 HydrophobicContact CE2-CG1 4.06Å; F82-V122 HydrophobicContact CG-CG1 3.38Å; F82-V122 HydrophobicContact CZ-CG1 4.28Å; F82-V126 HydrophobicContact CE1-CG2 4.21Å; F82-V126 HydrophobicContact CE2-CG2 3.58Å; F82-V126 HydrophobicContact CZ-CG2 3.29Å; F82-L131 HydrophobicContact CZ-CD1 3.86Å
83	C	91.1	Very high	91.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.7	179.3	-55.8	0	0	0	0	110.5	A87 I90 I111 T112 S113	C83-A87 HydrophobicContact CB-CB 3.67Å; C83-I90 HydrophobicContact CB-CD1 4.21Å; C83-I111 PolarHBondContact N-O 3.48Å; C83-T112 HydrophobicContact CB-CG2 4.45Å; C83-T112 WeakPolarHBondContact O-CA 3.38Å; C83-S113 PolarHBondContact O-N 2.99Å
84	C	87.3	Confident	91.1	Very high	26 Å²	26	39.9 Å²	39.9	18%	0.176	22%	0.216	C	C	.	.			trans	-114.2	-73.7	170.8	-174	0	0	0	0	109.5	F40 M86 A87 S113 Y116	F40-C84 HydrophobicContact CE1-CB 4.32Å; C84-M86 PolarHBondContact O-N 2.84Å; C84-A87 PolarHBondContact O-N 3.28Å; C84-S113 WeakPolarHBondContact CA-O 3.44Å; C84-S113 PolarHBondContact SG-O 3.29Å; C84-S113 VanDerWaalsContact SG-O 3.34Å; C84-Y116 HydrophobicContact CB-CD2 4.45Å; C84-Y116 PolarHBondContact SG-O 3.14Å
85	W	84.8	Confident	91.1	Very high	107 Å²	107	42.7 Å²	42.7	41%	0.405	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	126.8	-178.6	-174.8	-107.4	0	0	0	112.8	D38 T48 A87	D38-W85 WeakPolarHBondContact OD2-CB 3.45Å; D38-W85 PolarHBondContact OD2-N 3.36Å; T48-W85 PolarHBondContact O-NE1 3.36Å; T48-W85 VanDerWaalsContact O-NE1 3.15Å; W85-A87 PolarHBondContact O-N 3.04Å; W85-A87 VanDerWaalsContact O-N 3.1Å
86	M	85.6	Confident	91	Very high	53 Å²	53	48.9 Å²	48.9	26%	0.261	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	39.4	179	-64.2	-165.1	168.4	0	0	113.9	K49 P52 C84 S88 K89	K49-M86 WeakPolarHBondContact O-CE 3.37Å; P52-M86 HydrophobicContact CG-CB 4.45Å; C84-M86 PolarHBondContact O-N 2.84Å; M86-S88 PolarHBondContact O-N 3.22Å; M86-K89 HydrophobicContact CB-CD 4.38Å; M86-K89 PolarHBondContact O-N 3.17Å; M86-K89 HydrophobicContact SD-CD 3.93Å; M86-K89 PolarHBondContact SD-NZ 3.35Å
87	A	89	Confident	90.7	Very high	17 Å²	17	49.3 Å²	49.3	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-54.9	-30	-174.9	0	0	0	0	0	113.8	C83 C84 W85 K89 I90 K91 T112	C83-A87 HydrophobicContact CB-CB 3.67Å; C84-A87 PolarHBondContact O-N 3.28Å; W85-A87 PolarHBondContact O-N 3.04Å; W85-A87 VanDerWaalsContact O-N 3.1Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 2.61Å; A87-I90 PolarHBondContact O-N 3.44Å; A87-K91 VanDerWaalsContact O-CB 3.3Å; A87-K91 WeakPolarHBondContact O-CB 3.08Å; A87-K91 PolarHBondContact O-N 3.41Å; A87-T112 HydrophobicContact CB-CG2 3.77Å
88	S	91.1	Very high	90.4	Very high	94 Å²	94	46 Å²	46	66%	0.657	24%	0.238	S	C	*	.	H	α-helix	trans	-58.9	-41.1	175.8	60.7	0	0	0	0	112.9	M86 A92	M86-S88 PolarHBondContact O-N 3.22Å; S88-A92 WeakPolarHBondContact O-CB 3.25Å; S88-A92 PolarHBondContact O-N 3.49Å
89	K	91.4	Very high	90.1	Very high	85 Å²	85	43.4 Å²	43.4	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-68.7	-44.8	178.2	-70.2	-179.4	180	163.9	0	111.4	D50 L55 M86 A87 K91 A92 H93	D50-K89 PolarHBondContact O-NZ 2.88Å; L55-K89 HydrophobicContact CD1-CB 4.13Å; M86-K89 HydrophobicContact CB-CD 4.38Å; M86-K89 PolarHBondContact O-N 3.17Å; M86-K89 HydrophobicContact SD-CD 3.93Å; M86-K89 PolarHBondContact SD-NZ 3.35Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 2.61Å; K89-K91 PolarHBondContact O-N 3.14Å; K89-A92 PolarHBondContact O-N 2.91Å; K89-H93 PolarHBondContact O-N 3.3Å
90	I	91.5	Very high	89.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-46.6	177.8	-56.6	175.7	0	0	0	110	A37 P52 L55 I64 C83 A87 A92 H93 L94	A37-I90 HydrophobicContact CB-CD1 4.13Å; P52-I90 HydrophobicContact CB-CD1 4.09Å; P52-I90 HydrophobicContact CB-CG1 4.36Å; P52-I90 HydrophobicContact CG-CD1 3.95Å; P52-I90 HydrophobicContact CG-CG1 3.66Å; L55-I90 HydrophobicContact CD1-CG1 4.06Å; L55-I90 HydrophobicContact CG-CG1 4.24Å; I64-I90 HydrophobicContact CD1-CG2 4.14Å; C83-I90 HydrophobicContact CB-CD1 4.21Å; A87-I90 PolarHBondContact O-N 3.44Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.35Å; I90-H93 PolarHBondContact O-N 3.09Å; I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 WeakPolarHBondContact O-CG 2.9Å; I90-L94 PolarHBondContact O-N 2.97Å
91	K	91.9	Very high	89.3	Confident	115 Å²	115	51.3 Å²	51.3	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177	-173.7	175.2	-177.4	174.6	0	112.1	A87 K89 S95 I110	A87-K91 VanDerWaalsContact O-CB 3.3Å; A87-K91 WeakPolarHBondContact O-CB 3.08Å; A87-K91 PolarHBondContact O-N 3.41Å; K89-K91 PolarHBondContact O-N 3.14Å; K91-S95 VanDerWaalsContact O-CB 3.29Å; K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 3.07Å; K91-S95 PolarHBondContact O-OG 3.28Å; K91-I110 HydrophobicContact CG-CD1 4.07Å
92	A	92.4	Very high	88.7	Confident	46 Å²	46	58.2 Å²	58.2	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-42.2	177.2	0	0	0	0	0	112.1	S88 K89 I90 S95	S88-A92 WeakPolarHBondContact O-CB 3.25Å; S88-A92 PolarHBondContact O-N 3.49Å; K89-A92 PolarHBondContact O-N 2.91Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.35Å; A92-S95 PolarHBondContact O-OG 2.97Å
93	H	90.4	Very high	88.2	Confident	51 Å²	51	63.4 Å²	63.4	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-53.5	174.8	-178.6	73.1	0	0	0	111.6	L55 D65 K89 I90 S95 K96 S97	L55-H93 HydrophobicContact CD1-CB 4.48Å; L55-H93 HydrophobicContact CD2-CB 3.86Å; D65-H93 IonicContact OD1-CD2 3.08Å; D65-H93 IonicContact OD1-CE1 3.61Å; D65-H93 IonicContact OD1-NE2 2.99Å; D65-H93 PolarHBondContact OD1-NE2 2.86Å; D65-H93 IonicContact OD2-CE1 2.66Å; D65-H93 IonicContact OD2-NE2 3.23Å; D65-H93 PolarHBondContact OD2-NE2 3.05Å; K89-H93 PolarHBondContact O-N 3.3Å; I90-H93 PolarHBondContact O-N 3.09Å; H93-S95 VanDerWaalsContact C-N 3.32Å; H93-S95 PolarHBondContact O-N 3.34Å; H93-K96 PolarHBondContact O-N 2.91Å; H93-K96 VanDerWaalsContact O-N 3.11Å; H93-S97 PolarHBondContact O-N 3.23Å
94	L	89.8	Confident	88	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-38	-179.1	-68.4	177.8	0	0	0	112.4	I64 L68 V81 I90 K96 S97 C100 I110	I64-L94 HydrophobicContact CD1-CD1 4.2Å; I64-L94 HydrophobicContact CD1-CD2 4.15Å; I64-L94 HydrophobicContact CG2-CD2 4.45Å; L68-L94 HydrophobicContact CD1-CD2 3.54Å; V81-L94 HydrophobicContact CG1-CD1 4.06Å; I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 WeakPolarHBondContact O-CG 2.9Å; I90-L94 PolarHBondContact O-N 2.97Å; L94-K96 PolarHBondContact O-N 2.97Å; L94-S97 VanDerWaalsContact O-CB 3.27Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.23Å; L94-S97 PolarHBondContact O-OG 3.49Å; L94-C100 PolarHBondContact O-SG 3.13Å; L94-I110 HydrophobicContact CB-CD1 3.96Å; L94-I110 HydrophobicContact CD1-CD1 3.96Å; L94-I110 HydrophobicContact CD1-CG1 4.19Å
95	S	89.3	Confident	88	Confident	76 Å²	76	68.1 Å²	68.1	53%	0.531	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-27.9	177.9	71.4	0	0	0	0	114	K91 A92 H93	K91-S95 VanDerWaalsContact O-CB 3.29Å; K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 3.07Å; K91-S95 PolarHBondContact O-OG 3.28Å; A92-S95 PolarHBondContact O-OG 2.97Å; H93-S95 VanDerWaalsContact C-N 3.32Å; H93-S95 PolarHBondContact O-N 3.34Å
96	K	87.6	Confident	88.3	Confident	173 Å²	173	63 Å²	63	75%	0.752	36%	0.356	S	S	*	.	H	α-helix	trans	-87	-17.2	176.5	-65.7	174.6	-178.1	176.1	0	112.7	H93 L94	H93-K96 PolarHBondContact O-N 2.91Å; H93-K96 VanDerWaalsContact O-N 3.11Å; L94-K96 PolarHBondContact O-N 2.97Å
97	S	86.8	Confident	88.6	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-72.3	169	-174.7	80.1	0	0	0	0	113	H93 L94 W99	H93-S97 PolarHBondContact O-N 3.23Å; L94-S97 VanDerWaalsContact O-CB 3.27Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.23Å; L94-S97 PolarHBondContact O-OG 3.49Å; S97-W99 VanDerWaalsContact C-N 3.29Å; S97-W99 PolarHBondContact O-N 3.45Å; S97-W99 PolarHBondContact OG-N 3.36Å
98	K	85.9	Confident	88.7	Confident	34 Å²	34	64 Å²	64	15%	0.148	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-67.6	-27.2	178	70.2	175.9	-173.7	173.8	0	113.6	E69 C100 R101 F315	E69-K98 VanDerWaalsContact CD-NZ 3.32Å; E69-K98 IonicContact OE1-NZ 3.08Å; E69-K98 PolarHBondContact OE1-NZ 3.16Å; E69-K98 WeakPolarHBondContact OE2-CE 3.4Å; E69-K98 IonicContact OE2-NZ 3.94Å; E69-K98 PolarHBondContact OE2-NZ 3.02Å; K98-C100 VanDerWaalsContact C-N 3.33Å; K98-C100 PolarHBondContact O-N 3.1Å; K98-R101 VanDerWaalsContact O-CB 3.31Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 WeakPolarHBondContact O-CG 3.35Å; K98-R101 PolarHBondContact O-N 3.03Å; K98-F315 WeakPolarHBondContact CD-O 3.36Å; K98-F315 WeakPolarHBondContact CE-O 3.41Å; K98-F315 PolarHBondContact NZ-O 3.23Å
99	W	86.7	Confident	88.8	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.019	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-78.8	-13.5	-172	-57.6	-84.6	0	0	0	114.3	D65 L68 E69 T72 S97 S104 I108	D65-W99 VanDerWaalsContact CA-CH2 3.49Å; D65-W99 HydrophobicContact CB-CH2 3.52Å; D65-W99 HydrophobicContact CB-CZ3 3.9Å; D65-W99 WeakPolarHBondContact O-CH2 3.39Å; D65-W99 VanDerWaalsContact O-CZ2 3.3Å; D65-W99 WeakPolarHBondContact O-CZ2 3.26Å; D65-W99 VanDerWaalsContact OD1-CZ3 3.27Å; D65-W99 WeakPolarHBondContact OD1-CZ3 3.36Å; L68-W99 HydrophobicContact CB-CD2 3.84Å; L68-W99 HydrophobicContact CB-CE3 4.27Å; L68-W99 HydrophobicContact CB-CG 4.29Å; L68-W99 HydrophobicContact CB-CH2 4.39Å; L68-W99 HydrophobicContact CB-CZ2 3.87Å; L68-W99 HydrophobicContact CD1-CD2 3.88Å; L68-W99 HydrophobicContact CD1-CE3 3.69Å; L68-W99 HydrophobicContact CD1-CG 4.33Å; L68-W99 HydrophobicContact CD1-CZ3 4.21Å; L68-W99 HydrophobicContact CG-CD2 4.5Å; E69-W99 HydrophobicContact CB-CZ2 4.25Å; T72-W99 PolarHBondContact OG1-NE1 3.13Å; S97-W99 VanDerWaalsContact C-N 3.29Å; S97-W99 PolarHBondContact O-N 3.45Å; S97-W99 PolarHBondContact OG-N 3.36Å; W99-S104 PolarHBondContact O-OG 2.53Å; W99-S104 VanDerWaalsContact O-OG 3.09Å; W99-I108 HydrophobicContact CB-CD1 3.25Å; W99-I108 HydrophobicContact CB-CG1 4Å; W99-I108 HydrophobicContact CG-CD1 3.98Å
100	C	86.1	Confident	88.9	Confident	57 Å²	57	61.8 Å²	61.8	39%	0.385	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-89.9	-0.4	170	-70.9	0	0	0	0	113	L94 K98	L94-C100 PolarHBondContact O-SG 3.13Å; K98-C100 VanDerWaalsContact C-N 3.33Å; K98-C100 PolarHBondContact O-N 3.1Å
101	R	86.6	Confident	88.9	Confident	124 Å²	124	63 Å²	63	47%	0.468	35%	0.35	S	S	.	.	S	Bend	trans	-77.7	144.9	176.4	-60.8	179.2	-178.5	177.8	1.6	109.4	K98 S103 S104	K98-R101 VanDerWaalsContact O-CB 3.31Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 WeakPolarHBondContact O-CG 3.35Å; K98-R101 PolarHBondContact O-N 3.03Å; R101-S103 PolarHBondContact O-N 2.92Å; R101-S104 PolarHBondContact O-N 2.69Å; R101-S104 VanDerWaalsContact O-N 3.08Å; R101-S104 PolarHBondContact O-OG 3.31Å
102	P	82.4	Confident	88.9	Confident	145 Å²	145	61 Å²	61	94%	0.942	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.5	178.6	28.5	-36.4	0	0	0	114.2
103	S	85.4	Confident	88.7	Confident	110 Å²	110	60.4 Å²	60.4	77%	0.769	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.2	177.1	174.7	0	0	0	0	113.2	R101	R101-S103 PolarHBondContact O-N 2.92Å
104	S	85.9	Confident	88.5	Confident	24 Å²	24	66.2 Å²	66.2	17%	0.168	37%	0.368	C	S	.	.			trans	-72.5	141.1	-177.6	60.3	0	0	0	0	110.5	W99 R101 N106	W99-S104 PolarHBondContact O-OG 2.53Å; W99-S104 VanDerWaalsContact O-OG 3.09Å; R101-S104 PolarHBondContact O-N 2.69Å; R101-S104 VanDerWaalsContact O-N 3.08Å; R101-S104 PolarHBondContact O-OG 3.31Å; S104-N106 PolarHBondContact O-N 3.16Å; S104-N106 PolarHBondContact OG-O 3.09Å
105	P	87.6	Confident	88.3	Confident	101 Å²	101	73 Å²	73	66%	0.656	40%	0.403	S	S	*	.	S	Bend	trans	-74.2	-17.6	174.6	30.6	-34.6	0	0	0	112.6	T72	T72-P105 HydrophobicContact CG2-CG 3.68Å
106	N	90.6	Very high	88.2	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.38	C	S	.	.	S	Bend	trans	-109	120.4	176.3	-176.1	6.1	0	0	0	109.6	T72 V76 Q77 T79 S104	T72-N106 HydrophobicContact CG2-CB 4.46Å; V76-N106 WeakPolarHBondContact O-CB 3.48Å; Q77-N106 CarbonylContact O-C 3.52Å; Q77-N106 WeakPolarHBondContact O-CA 3.46Å; Q77-N106 PolarHBondContact O-OD1 2.81Å; T79-N106 PolarHBondContact N-OD1 3.03Å; T79-N106 VanDerWaalsContact OG1-CG 3.27Å; T79-N106 PolarHBondContact OG1-ND2 2.84Å; T79-N106 PolarHBondContact OG1-OD1 3.45Å; S104-N106 PolarHBondContact O-N 3.16Å; S104-N106 PolarHBondContact OG-O 3.09Å
107	T	91.6	Very high	88.1	Confident	67 Å²	67	69.7 Å²	69.7	41%	0.411	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123	176.3	55.1	0	0	0	0	110.7	Q77 E78 T79	Q77-T107 PolarHBondContact O-N 3.4Å; Q77-T107 PolarHBondContact O-OG1 3.2Å; E78-T107 WeakPolarHBondContact CA-O 3.31Å; T79-T107 PolarHBondContact N-O 2.63Å
108	I	92.9	Very high	88.2	Confident	24 Å²	24	69.7 Å²	69.7	12%	0.123	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.4	-178.2	-60.1	-175.2	0	0	0	111.3	L68 T79 V81 W99 I110	L68-I108 HydrophobicContact CD1-CD1 3.62Å; L68-I108 HydrophobicContact CD2-CD1 3.61Å; L68-I108 HydrophobicContact CD2-CG1 4.36Å; L68-I108 HydrophobicContact CG-CD1 4.23Å; T79-I108 WeakPolarHBondContact O-CA 3.25Å; V81-I108 HydrophobicContact CB-CG2 4.31Å; V81-I108 HydrophobicContact CG2-CG2 3.64Å; W99-I108 HydrophobicContact CB-CD1 3.25Å; W99-I108 HydrophobicContact CB-CG1 4Å; W99-I108 HydrophobicContact CG-CD1 3.98Å; I108-I110 HydrophobicContact CG2-CG1 3.98Å
109	H	92.3	Very high	88.5	Confident	82 Å²	82	68.3 Å²	68.3	38%	0.38	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.8	169.8	-63.2	-74.2	0	0	0	109.8	T79 F80 V81	T79-H109 PolarHBondContact O-N 3.06Å; F80-H109 WeakPolarHBondContact CA-O 3.45Å; F80-H109 HydrophobicContact CD1-CB 3.64Å; F80-H109 HydrophobicContact CE1-CB 3.95Å; F80-H109 AromaticContact CE1-CD2 3.76Å; F80-H109 AromaticContact CE1-CG 3.95Å; V81-H109 PolarHBondContact N-O 3.28Å
110	I	92.7	Very high	88.7	Confident	50 Å²	50	68 Å²	68	26%	0.256	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.7	-179.5	-54.2	172.9	0	0	0	108.6	K91 L94 I108 T112	K91-I110 HydrophobicContact CG-CD1 4.07Å; L94-I110 HydrophobicContact CB-CD1 3.96Å; L94-I110 HydrophobicContact CD1-CD1 3.96Å; L94-I110 HydrophobicContact CD1-CG1 4.19Å; I108-I110 HydrophobicContact CG2-CG1 3.98Å; I110-T112 HydrophobicContact CG2-CG2 4.09Å
111	I	92.7	Very high	88.9	Confident	26 Å²	26	67 Å²	67	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.4	177	-59.4	172.7	0	0	0	107.9	F80 V81 F82 C83 Y116 L131	F80-I111 HydrophobicContact CD1-CD1 4.19Å; V81-I111 PolarHBondContact O-N 2.92Å; F82-I111 HydrophobicContact CD1-CB 4.02Å; F82-I111 HydrophobicContact CD1-CG2 3.99Å; F82-I111 HydrophobicContact CE1-CB 4.03Å; F82-I111 HydrophobicContact CE1-CD1 3.76Å; F82-I111 HydrophobicContact CE1-CG1 4.5Å; F82-I111 HydrophobicContact CE1-CG2 3.86Å; F82-I111 HydrophobicContact CE2-CD1 4.35Å; F82-I111 HydrophobicContact CZ-CD1 3.65Å; C83-I111 PolarHBondContact N-O 3.48Å; I111-Y116 WeakPolarHBondContact CG2-OH 3.48Å; I111-L131 HydrophobicContact CD1-CD1 3.4Å; I111-L131 VanDerWaalsContact CD1-CD1 3.4Å
112	T	91.8	Very high	89.2	Confident	75 Å²	75	61.2 Å²	61.2	46%	0.46	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.8	-178.5	58.2	0	0	0	0	109.4	C83 A87 I110	C83-T112 HydrophobicContact CB-CG2 4.45Å; C83-T112 WeakPolarHBondContact O-CA 3.38Å; A87-T112 HydrophobicContact CB-CG2 3.77Å; I110-T112 HydrophobicContact CG2-CG2 4.09Å
113	S	88	Confident	89.8	Confident	32 Å²	32	54.3 Å²	54.3	22%	0.224	29%	0.291	C	S	.	.			trans	-149.8	140.3	170.9	-169.6	0	0	0	0	109	C83 C84 L115	C83-S113 PolarHBondContact O-N 2.99Å; C84-S113 WeakPolarHBondContact CA-O 3.44Å; C84-S113 PolarHBondContact SG-O 3.29Å; C84-S113 VanDerWaalsContact SG-O 3.34Å; S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact OG-N 3.17Å
114	E	85.6	Confident	90.1	Very high	173 Å²	173	50.5 Å²	50.5	81%	0.808	26%	0.26	S	S	*	.	S	Bend	trans	-84.4	-9.9	176.2	-67.8	165.4	-171.6	0	0	111.9
115	L	86.6	Confident	90.5	Very high	142 Å²	142	50.9 Å²	50.9	74%	0.743	26%	0.26	S	S	*	.			trans	-80.5	-14.7	-177.4	-60	174.8	0	0	0	113.5	S113 R117	S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact OG-N 3.17Å; L115-R117 PolarHBondContact O-N 3.07Å
116	Y	85.8	Confident	90.8	Very high	13 Å²	13	46.1 Å²	46.1	5%	0.051	23%	0.23	C	C	.	.			trans	-75.9	116.1	-177.8	-51.5	-44.3	0	0	0	110.1	F40 F82 C84 I111 D121 V122 D125	F40-Y116 WeakPolarHBondContact CE1-O 3.17Å; F82-Y116 AromaticContact CD1-CE2 3.87Å; F82-Y116 HydrophobicContact CD1-CE2 3.87Å; F82-Y116 AromaticContact CD1-CZ 3.99Å; C84-Y116 HydrophobicContact CB-CD2 4.45Å; C84-Y116 PolarHBondContact SG-O 3.14Å; I111-Y116 WeakPolarHBondContact CG2-OH 3.48Å; Y116-D121 HydrophobicContact CD1-CB 4.29Å; Y116-V122 HydrophobicContact CD1-CG2 4.32Å; Y116-V122 HydrophobicContact CD2-CG2 4.22Å; Y116-V122 HydrophobicContact CG-CG2 3.98Å; Y116-D125 HydrophobicContact CE1-CB 3.73Å; Y116-D125 PolarHBondContact OH-OD2 3.29Å
117	R	85.8	Confident	90.9	Very high	168 Å²	168	48.3 Å²	48.3	63%	0.634	24%	0.241	S	C	*	.			trans	-108.5	-20.2	174.5	-65	-175.5	175.9	-166.6	-2.5	112.7	F40 L115 D121	F40-R117 VanDerWaalsContact CD1-O 3.27Å; F40-R117 WeakPolarHBondContact CD1-O 3.49Å; F40-R117 WeakPolarHBondContact CG-O 3.31Å; L115-R117 PolarHBondContact O-N 3.07Å; R117-D121 PolarHBondContact N-OD2 3.4Å
118	S	90	Very high	91	Very high	12 Å²	12	49 Å²	49	8%	0.084	25%	0.254	C	S	.	.	S	Bend	trans	-138.7	168.6	-176.1	69.4	0	0	0	0	112.4	F40 G120 D121 V122	F40-S118 VanDerWaalsContact CE2-C 3.48Å; S118-G120 VanDerWaalsContact C-N 3.25Å; S118-G120 PolarHBondContact O-N 3.32Å; S118-G120 PolarHBondContact OG-N 3.05Å; S118-D121 PolarHBondContact N-OD2 2.91Å; S118-D121 PolarHBondContact O-N 2.85Å; S118-D121 PolarHBondContact OG-N 2.93Å; S118-D121 PolarHBondContact OG-OD2 3.37Å; S118-V122 PolarHBondContact O-N 3.49Å
119	L	90.9	Very high	90.9	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-39	169.6	175.4	69	0	0	0	110.9	V36 D121 V122 L123 L138 Q255 R257	V36-L119 HydrophobicContact CB-CD1 4.46Å; V36-L119 HydrophobicContact CG2-CD1 3.61Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.32Å; L119-V122 WeakPolarHBondContact O-CB 3.4Å; L119-V122 PolarHBondContact O-N 3.15Å; L119-L123 HydrophobicContact CG-CD1 4.23Å; L119-L123 PolarHBondContact O-N 2.9Å; L119-L123 VanDerWaalsContact O-N 3.09Å; L119-L138 HydrophobicContact CD1-CD1 4.34Å; L119-Q255 PolarHBondContact N-O 3.22Å; L119-R257 HydrophobicContact CD2-CB 3.7Å
120	G	90.8	Very high	90.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-42.9	178.5	0	0	0	0	0	112.3	S118 V122 L123 R124 F248 Q255	S118-G120 VanDerWaalsContact C-N 3.25Å; S118-G120 PolarHBondContact O-N 3.32Å; S118-G120 PolarHBondContact OG-N 3.05Å; G120-V122 VanDerWaalsContact C-N 3.3Å; G120-V122 PolarHBondContact O-N 3.06Å; G120-L123 PolarHBondContact O-N 2.86Å; G120-R124 VanDerWaalsContact O-CG 3.25Å; G120-R124 WeakPolarHBondContact O-CG 3.49Å; G120-R124 PolarHBondContact O-N 2.68Å; G120-F248 VanDerWaalsContact CA-CD1 3.49Å; G120-Q255 PolarHBondContact N-O 2.88Å
121	D	91.8	Very high	90.8	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-37.2	178	-57.4	-39.7	0	0	0	112.6	Y116 R117 S118 L119 R124 D125	Y116-D121 HydrophobicContact CD1-CB 4.29Å; R117-D121 PolarHBondContact N-OD2 3.4Å; S118-D121 PolarHBondContact N-OD2 2.91Å; S118-D121 PolarHBondContact O-N 2.85Å; S118-D121 PolarHBondContact OG-N 2.93Å; S118-D121 PolarHBondContact OG-OD2 3.37Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.32Å; D121-R124 IonicContact OD1-CZ 3.16Å; D121-R124 IonicContact OD1-NH1 3.35Å; D121-R124 PolarHBondContact OD1-NH1 3.31Å; D121-D125 PolarHBondContact O-N 3.02Å; D121-D125 VanDerWaalsContact O-N 3.09Å
122	V	93.2	Very high	90.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-46.8	175.4	172.5	0	0	0	0	110.6	V36 F40 F82 Y116 S118 L119 G120 D125 V126	V36-V122 HydrophobicContact CG1-CG2 4.42Å; V36-V122 HydrophobicContact CG2-CG1 4.15Å; F40-V122 HydrophobicContact CE2-CG2 4.36Å; F40-V122 HydrophobicContact CZ-CG2 3.99Å; F82-V122 HydrophobicContact CB-CG1 3.79Å; F82-V122 HydrophobicContact CB-CG2 4.3Å; F82-V122 HydrophobicContact CD1-CG1 3.65Å; F82-V122 HydrophobicContact CD2-CG1 3.6Å; F82-V122 HydrophobicContact CE1-CG1 4.09Å; F82-V122 HydrophobicContact CE2-CG1 4.06Å; F82-V122 HydrophobicContact CG-CG1 3.38Å; F82-V122 HydrophobicContact CZ-CG1 4.28Å; Y116-V122 HydrophobicContact CD1-CG2 4.32Å; Y116-V122 HydrophobicContact CD2-CG2 4.22Å; Y116-V122 HydrophobicContact CG-CG2 3.98Å; S118-V122 PolarHBondContact O-N 3.49Å; L119-V122 WeakPolarHBondContact O-CB 3.4Å; L119-V122 PolarHBondContact O-N 3.15Å; G120-V122 VanDerWaalsContact C-N 3.3Å; G120-V122 PolarHBondContact O-N 3.06Å; V122-D125 PolarHBondContact O-N 3.19Å; V122-V126 WeakPolarHBondContact O-CG2 3.31Å; V122-V126 PolarHBondContact O-N 3.4Å
123	L	93.6	Very high	90.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69	-33.4	-179.7	-68.4	176.1	0	0	0	112.8	L119 G120 D125 V126 D127 F136 L138 V244 F248	L119-L123 HydrophobicContact CG-CD1 4.23Å; L119-L123 PolarHBondContact O-N 2.9Å; L119-L123 VanDerWaalsContact O-N 3.09Å; G120-L123 PolarHBondContact O-N 2.86Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-V126 WeakPolarHBondContact O-CB 3.17Å; L123-V126 PolarHBondContact O-N 3.3Å; L123-D127 PolarHBondContact O-N 3.23Å; L123-D127 VanDerWaalsContact O-N 3.07Å; L123-F136 HydrophobicContact CD2-CE2 4.39Å; L123-F136 HydrophobicContact CD2-CZ 4.39Å; L123-L138 HydrophobicContact CD1-CD2 4.29Å; L123-L138 HydrophobicContact CD2-CD1 4.18Å; L123-V244 HydrophobicContact CD1-CG1 4.44Å; L123-F248 HydrophobicContact CB-CB 4.26Å; L123-F248 HydrophobicContact CB-CD2 4.2Å; L123-F248 HydrophobicContact CB-CG 4.2Å; L123-F248 HydrophobicContact CD1-CD2 3.5Å; L123-F248 HydrophobicContact CD1-CE1 4.47Å; L123-F248 HydrophobicContact CD1-CE2 3.36Å; L123-F248 HydrophobicContact CD1-CG 4.16Å; L123-F248 HydrophobicContact CD1-CZ 3.88Å
124	R	93.2	Very high	90.2	Very high	30 Å²	30	57.2 Å²	57.2	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-41	171.3	-70.7	170	-167	133.8	6.8	112	G120 D121 D127 A128 F248 N251 F252 Y254	G120-R124 VanDerWaalsContact O-CG 3.25Å; G120-R124 WeakPolarHBondContact O-CG 3.49Å; G120-R124 PolarHBondContact O-N 2.68Å; D121-R124 IonicContact OD1-CZ 3.16Å; D121-R124 IonicContact OD1-NH1 3.35Å; D121-R124 PolarHBondContact OD1-NH1 3.31Å; R124-D127 PolarHBondContact O-N 3.14Å; R124-A128 WeakPolarHBondContact O-CB 3.49Å; R124-A128 PolarHBondContact O-N 3.5Å; R124-F248 HydrophobicContact CG-CB 4.38Å; R124-F248 PolarHBondContact NE-O 2.92Å; R124-F248 PolarHBondContact NH2-O 3.12Å; R124-N251 PolarHBondContact NH2-O 3.13Å; R124-F252 VanDerWaalsContact NH2-CA 3.31Å; R124-F252 PolarHBondContact NH2-O 3.16Å; R124-Y254 PolarHBondContact NH2-O 3.43Å; R124-Y254 VanDerWaalsContact NH2-O 3.12Å
125	D	93.4	Very high	90.5	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.171	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-31.4	176.9	-174.6	61.8	0	0	0	112.3	Y116 D121 V122 L123 D127 K129	Y116-D125 HydrophobicContact CE1-CB 3.73Å; Y116-D125 PolarHBondContact OH-OD2 3.29Å; D121-D125 PolarHBondContact O-N 3.02Å; D121-D125 VanDerWaalsContact O-N 3.09Å; V122-D125 PolarHBondContact O-N 3.19Å; L123-D125 VanDerWaalsContact C-N 3.33Å; D125-D127 VanDerWaalsContact C-N 3.31Å; D125-D127 PolarHBondContact O-N 2.91Å; D125-K129 VanDerWaalsContact CG-NZ 3.33Å; D125-K129 WeakPolarHBondContact O-CB 3.48Å; D125-K129 WeakPolarHBondContact O-CG 3.4Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K129 WeakPolarHBondContact OD1-CE 3.48Å; D125-K129 IonicContact OD1-NZ 2.81Å; D125-K129 PolarHBondContact OD1-NZ 3.44Å; D125-K129 VanDerWaalsContact OD1-NZ 3.16Å; D125-K129 WeakPolarHBondContact OD2-CE 3.2Å; D125-K129 IonicContact OD2-NZ 3.09Å; D125-K129 PolarHBondContact OD2-NZ 3.34Å
126	V	93.3	Very high	90.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-45	169.7	169.2	0	0	0	0	111	V34 F82 V122 L123 S130 L131 V132	V34-V126 HydrophobicContact CG1-CG2 4.31Å; V34-V126 HydrophobicContact CG2-CG2 4.23Å; F82-V126 HydrophobicContact CE1-CG2 4.21Å; F82-V126 HydrophobicContact CE2-CG2 3.58Å; F82-V126 HydrophobicContact CZ-CG2 3.29Å; V122-V126 WeakPolarHBondContact O-CG2 3.31Å; V122-V126 PolarHBondContact O-N 3.4Å; L123-V126 WeakPolarHBondContact O-CB 3.17Å; L123-V126 PolarHBondContact O-N 3.3Å; V126-S130 PolarHBondContact O-N 3.35Å; V126-L131 HydrophobicContact CG1-CB 4.48Å; V126-L131 PolarHBondContact O-N 3.05Å; V126-L131 VanDerWaalsContact O-N 3.11Å; V126-V132 HydrophobicContact CG1-CB 4.17Å; V126-V132 HydrophobicContact CG1-CG2 3.61Å
127	D	94.1	Very high	91.3	Very high	46 Å²	46	42 Å²	42	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-49.9	177.3	-174.6	42.8	0	0	0	111.8	L123 R124 D125 K129 S130 A245 T249	L123-D127 PolarHBondContact O-N 3.23Å; L123-D127 VanDerWaalsContact O-N 3.07Å; R124-D127 PolarHBondContact O-N 3.14Å; D125-D127 VanDerWaalsContact C-N 3.31Å; D125-D127 PolarHBondContact O-N 2.91Å; D127-K129 PolarHBondContact O-N 3.35Å; D127-S130 WeakPolarHBondContact O-CA 3.46Å; D127-S130 PolarHBondContact O-N 3.17Å; D127-S130 PolarHBondContact O-OG 3.28Å; D127-A245 HydrophobicContact CB-CB 3.86Å; D127-T249 PolarHBondContact OD2-OG1 3.08Å
128	A	92.6	Very high	91.8	Very high	81 Å²	81	34.3 Å²	34.3	67%	0.669	18%	0.181	S	C	*	.	H	α-helix	trans	-58.6	-34.3	-180	0	0	0	0	0	113.1	R124	R124-A128 WeakPolarHBondContact O-CB 3.49Å; R124-A128 PolarHBondContact O-N 3.5Å
129	K	91.9	Very high	92	Very high	102 Å²	102	33.8 Å²	33.8	44%	0.443	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.5	174.9	-70	172.7	180	160.1	0	113.4	D125 D127 L131	D125-K129 VanDerWaalsContact CG-NZ 3.33Å; D125-K129 WeakPolarHBondContact O-CB 3.48Å; D125-K129 WeakPolarHBondContact O-CG 3.4Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K129 WeakPolarHBondContact OD1-CE 3.48Å; D125-K129 IonicContact OD1-NZ 2.81Å; D125-K129 PolarHBondContact OD1-NZ 3.44Å; D125-K129 VanDerWaalsContact OD1-NZ 3.16Å; D125-K129 WeakPolarHBondContact OD2-CE 3.2Å; D125-K129 IonicContact OD2-NZ 3.09Å; D125-K129 PolarHBondContact OD2-NZ 3.34Å; D127-K129 PolarHBondContact O-N 3.35Å; K129-L131 HydrophobicContact CB-CD1 4.15Å; K129-L131 HydrophobicContact CB-CD2 3.94Å; K129-L131 HydrophobicContact CB-CG 3.66Å; K129-L131 HydrophobicContact CD-CD1 4.36Å; K129-L131 PolarHBondContact O-N 3.44Å
130	S	92	Very high	92.1	Very high	86 Å²	86	34.5 Å²	34.5	60%	0.601	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	44.7	-176.8	-50.7	0	0	0	0	112.6	V126 D127 V132	V126-S130 PolarHBondContact O-N 3.35Å; D127-S130 WeakPolarHBondContact O-CA 3.46Å; D127-S130 PolarHBondContact O-N 3.17Å; D127-S130 PolarHBondContact O-OG 3.28Å; S130-V132 VanDerWaalsContact C-N 3.35Å
131	L	89.4	Confident	92	Very high	36 Å²	36	34.6 Å²	34.6	19%	0.188	18%	0.18	C	C	.	.			trans	-70.7	-35	-174.5	-64.2	173.1	0	0	0	112	Q32 F80 F82 I111 V126 K129	Q32-L131 PolarHBondContact NE2-O 3.21Å; F80-L131 HydrophobicContact CD1-CD1 4.27Å; F80-L131 HydrophobicContact CE1-CB 4.3Å; F80-L131 HydrophobicContact CE1-CD2 4.15Å; F80-L131 HydrophobicContact CE2-CB 4.33Å; F80-L131 HydrophobicContact CZ-CB 4.19Å; F82-L131 HydrophobicContact CZ-CD1 3.86Å; I111-L131 HydrophobicContact CD1-CD1 3.4Å; I111-L131 VanDerWaalsContact CD1-CD1 3.4Å; V126-L131 HydrophobicContact CG1-CB 4.48Å; V126-L131 PolarHBondContact O-N 3.05Å; V126-L131 VanDerWaalsContact O-N 3.11Å; K129-L131 HydrophobicContact CB-CD1 4.15Å; K129-L131 HydrophobicContact CB-CD2 3.94Å; K129-L131 HydrophobicContact CB-CG 3.66Å; K129-L131 HydrophobicContact CD-CD1 4.36Å; K129-L131 PolarHBondContact O-N 3.44Å
132	V	89.3	Confident	92	Very high	18 Å²	18	32.9 Å²	32.9	11%	0.109	17%	0.171	C	C	.	.			trans	-102	127.8	-175.8	179.9	0	0	0	0	110	V34 V126 S130 S134 F136 P242	V34-V132 HydrophobicContact CG2-CG2 3.92Å; V126-V132 HydrophobicContact CG1-CB 4.17Å; V126-V132 HydrophobicContact CG1-CG2 3.61Å; S130-V132 VanDerWaalsContact C-N 3.35Å; V132-S134 WeakPolarHBondContact CG1-O 3.35Å; V132-F136 HydrophobicContact CB-CD1 4.38Å; V132-F136 HydrophobicContact CG1-CB 3.72Å; V132-F136 HydrophobicContact CG1-CD1 3.45Å; V132-F136 VanDerWaalsContact CG1-CD1 3.45Å; V132-F136 HydrophobicContact CG1-CE1 4.18Å; V132-F136 HydrophobicContact CG1-CG 3.77Å; V132-F136 HydrophobicContact CG2-CB 4.42Å; V132-F136 HydrophobicContact CG2-CD1 4.46Å; V132-F136 HydrophobicContact CG2-CG 4.27Å; V132-P242 HydrophobicContact CG1-CG 4.39Å
133	R	82.9	Confident	92	Very high	211 Å²	211	32.8 Å²	32.8	80%	0.796	17%	0.171	S	C	*	.			trans	-110.1	-22.9	-178.6	-63.9	-178.2	180	169.6	2	113.8	Q32	Q32-R133 VanDerWaalsContact OE1-N 3.1Å
134	S	87.4	Confident	91.9	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.063	17%	0.171	C	C	.	.	S	Bend	trans	-130.1	-175.3	-174.7	70.2	0	0	0	0	111.1	V132 F136 P242	V132-S134 WeakPolarHBondContact CG1-O 3.35Å; S134-F136 PolarHBondContact O-N 2.9Å; S134-P242 WeakPolarHBondContact O-CG 3.49Å
135	D	91.8	Very high	91.8	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.043	17%	0.165	C	C	.	.			trans	-54.1	134.5	168.2	-58.9	-32.4	0	0	0	109.9	L153 H156 R157 R160 C240	D135-L153 HydrophobicContact CB-CD1 4.47Å; D135-H156 IonicContact OD1-CD2 2.69Å; D135-H156 IonicContact OD1-NE2 2.61Å; D135-H156 IonicContact OD2-CD2 3.74Å; D135-R157 VanDerWaalsContact OD2-CG 3.26Å; D135-R157 WeakPolarHBondContact OD2-CG 3.29Å; D135-R157 IonicContact OD2-NE 3.5Å; D135-R160 WeakPolarHBondContact OD1-CD 3.47Å; D135-R160 IonicContact OD1-CZ 2.73Å; D135-R160 IonicContact OD1-NE 3.53Å; D135-R160 IonicContact OD1-NH1 3.67Å; D135-R160 PolarHBondContact OD1-NH1 3.2Å; D135-R160 IonicContact OD2-NH1 3.25Å; D135-C240 WeakPolarHBondContact CA-O 3.24Å
136	F	94.9	Very high	91.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.9	-176.9	70.2	-81.4	0	0	0	111.3	Q32 V34 L123 V132 S134 L138 C240 S241	Q32-F136 HydrophobicContact CB-CB 4.45Å; Q32-F136 CarbonylContact O-C 3.5Å; Q32-F136 WeakPolarHBondContact O-CA 3.27Å; Q32-F136 WeakPolarHBondContact O-CB 3.44Å; V34-F136 HydrophobicContact CB-CD2 4.03Å; V34-F136 HydrophobicContact CB-CE2 4.1Å; V34-F136 HydrophobicContact CG2-CD2 3.65Å; V34-F136 HydrophobicContact CG2-CE2 3.82Å; L123-F136 HydrophobicContact CD2-CE2 4.39Å; L123-F136 HydrophobicContact CD2-CZ 4.39Å; V132-F136 HydrophobicContact CB-CD1 4.38Å; V132-F136 HydrophobicContact CG1-CB 3.72Å; V132-F136 HydrophobicContact CG1-CD1 3.45Å; V132-F136 VanDerWaalsContact CG1-CD1 3.45Å; V132-F136 HydrophobicContact CG1-CE1 4.18Å; V132-F136 HydrophobicContact CG1-CG 3.77Å; V132-F136 HydrophobicContact CG2-CB 4.42Å; V132-F136 HydrophobicContact CG2-CD1 4.46Å; V132-F136 HydrophobicContact CG2-CG 4.27Å; S134-F136 PolarHBondContact O-N 2.9Å; F136-L138 HydrophobicContact CE2-CB 4.15Å; F136-C240 HydrophobicContact CD1-CB 4.07Å; F136-C240 VanDerWaalsContact CD1-O 3.28Å; F136-C240 WeakPolarHBondContact CD1-O 3.35Å; F136-C240 HydrophobicContact CD2-CB 4.38Å; F136-C240 HydrophobicContact CE1-CB 3.61Å; F136-C240 HydrophobicContact CE2-CB 3.91Å; F136-C240 HydrophobicContact CG-CB 4.48Å; F136-C240 HydrophobicContact CZ-CB 3.52Å; F136-C240 PolarHBondContact N-O 3.32Å; F136-C240 PolarHBondContact O-N 2.85Å; F136-S241 WeakPolarHBondContact CE1-O 3.43Å
137	V	95.6	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.6	174.4	-175.7	0	0	0	0	109	L31 Q32 A33 V34 L71 I149 I237	L31-V137 HydrophobicContact CD1-CG2 4.48Å; Q32-V137 PolarHBondContact O-N 3.28Å; A33-V137 CarbonylContact C-O 3.59Å; A33-V137 VanDerWaalsContact CA-O 3.26Å; A33-V137 WeakPolarHBondContact CA-O 3.37Å; A33-V137 HydrophobicContact CB-CB 4.12Å; V34-V137 PolarHBondContact N-O 2.91Å; L71-V137 HydrophobicContact CD2-CG1 4.18Å; V137-I149 HydrophobicContact CG1-CD1 4.29Å; V137-I149 HydrophobicContact CG2-CD1 3.74Å; V137-I237 HydrophobicContact CG1-CG2 4.03Å
138	L	95.4	Very high	91.4	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.9	170.7	-179.5	62.1	0	0	0	109.5	V34 V36 L119 L123 F136 S238	V34-L138 HydrophobicContact CB-CD1 4.19Å; V34-L138 HydrophobicContact CG1-CD1 3.98Å; V36-L138 HydrophobicContact CG2-CD1 4.34Å; L119-L138 HydrophobicContact CD1-CD1 4.34Å; L123-L138 HydrophobicContact CD1-CD2 4.29Å; L123-L138 HydrophobicContact CD2-CD1 4.18Å; F136-L138 HydrophobicContact CE2-CB 4.15Å; L138-S238 PolarHBondContact N-O 3.08Å; L138-S238 PolarHBondContact O-N 2.89Å
139	V	95.1	Very high	91.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.6	-178.4	67.2	0	0	0	0	111.1	V34 L35 V36 T67 L71 V143 I237	V34-V139 PolarHBondContact O-N 2.91Å; L35-V139 WeakPolarHBondContact CA-O 3.49Å; L35-V139 HydrophobicContact CB-CG1 4.2Å; L35-V139 HydrophobicContact CG-CG1 4.22Å; V36-V139 PolarHBondContact N-O 2.88Å; T67-V139 HydrophobicContact CG2-CG1 4Å; T67-V139 HydrophobicContact CG2-CG2 3.72Å; L71-V139 HydrophobicContact CD1-CG1 4.01Å; L71-V139 HydrophobicContact CD2-CG1 4.1Å; L71-V139 HydrophobicContact CG-CG1 4.42Å; V139-V143 HydrophobicContact CG2-CB 3.86Å; V139-V143 HydrophobicContact CG2-CG1 4.19Å; V139-V143 HydrophobicContact CG2-CG2 3.98Å; V139-I237 HydrophobicContact CG2-CG1 4.36Å
140	Y	93.1	Very high	91.3	Very high	19 Å²	19	27.4 Å²	27.4	8%	0.075	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	153.5	170.1	-70.4	-88.5	0	0	0	111.5	V36 T67 D142 V143 H236	V36-Y140 HydrophobicContact CB-CD1 4.03Å; V36-Y140 HydrophobicContact CB-CE1 4.36Å; V36-Y140 HydrophobicContact CG1-CD1 4.36Å; V36-Y140 HydrophobicContact CG1-CE1 4.4Å; V36-Y140 CarbonylContact O-C 3.6Å; V36-Y140 WeakPolarHBondContact O-CA 3.39Å; T67-Y140 WeakPolarHBondContact CG2-O 3.19Å; Y140-D142 WeakPolarHBondContact CB-OD1 3.49Å; Y140-D142 PolarHBondContact O-N 3.06Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; Y140-V143 PolarHBondContact O-N 3.05Å; Y140-H236 HydrophobicContact CD2-CB 4.38Å
141	G	88.8	Confident	91.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	2.3	-178.8	0	0	0	0	0	115.8	V36 M63 I64 T67	V36-G141 PolarHBondContact O-N 3.42Å; M63-G141 CarbonylContact C-O 3.58Å; I64-G141 WeakPolarHBondContact CA-O 3.38Å; I64-G141 PolarHBondContact N-O 3.12Å; T67-G141 PolarHBondContact OG1-O 3.33Å
142	D	90.9	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	16	178.3	65.2	-26.4	0	0	0	112.5	R53 M63 Y140 R287 V288	R53-D142 IonicContact CZ-OD2 3.47Å; R53-D142 IonicContact NE-OD2 3.48Å; R53-D142 PolarHBondContact NE-OD2 3.02Å; R53-D142 IonicContact NH2-OD2 3.54Å; R53-D142 PolarHBondContact NH2-OD2 2.87Å; M63-D142 HydrophobicContact CE-CB 4.21Å; M63-D142 HydrophobicContact SD-CB 4.47Å; Y140-D142 WeakPolarHBondContact CB-OD1 3.49Å; Y140-D142 PolarHBondContact O-N 3.06Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; D142-R287 IonicContact OD1-NE 2.73Å; D142-R287 PolarHBondContact OD1-NE 3.4Å; D142-R287 WeakPolarHBondContact OD2-CG 3.48Å; D142-R287 IonicContact OD2-CZ 3.34Å; D142-R287 IonicContact OD2-NE 3.27Å; D142-R287 PolarHBondContact OD2-NE 3.28Å; D142-R287 VanDerWaalsContact OD2-NE 3.08Å; D142-R287 IonicContact OD2-NH2 2.79Å; D142-V288 PolarHBondContact O-N 3.48Å
143	V	92.3	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.9	175.8	176.4	0	0	0	0	109.8	T67 V139 Y140 H236 I237 R287	T67-V143 PolarHBondContact OG1-O 3.01Å; V139-V143 HydrophobicContact CG2-CB 3.86Å; V139-V143 HydrophobicContact CG2-CG1 4.19Å; V139-V143 HydrophobicContact CG2-CG2 3.98Å; Y140-V143 PolarHBondContact O-N 3.05Å; V143-H236 HydrophobicContact CG2-CB 4.22Å; V143-I237 HydrophobicContact CG1-CD1 4.09Å; V143-I237 HydrophobicContact CG1-CG1 3.89Å; V143-R287 HydrophobicContact CG2-CB 4.13Å; V143-R287 HydrophobicContact CG2-CG 4.11Å
144	V	91.7	Very high	91.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118	174.1	-167.4	0	0	0	0	108.5	L58 Y66 G285 V286 V297 F306	L58-V144 HydrophobicContact CD2-CG1 4.4Å; L58-V144 HydrophobicContact CD2-CG2 3.88Å; Y66-V144 HydrophobicContact CD1-CG1 4.12Å; Y66-V144 HydrophobicContact CG-CG1 4.13Å; V144-G285 WeakPolarHBondContact O-CA 3.5Å; V144-V286 PolarHBondContact N-O 3Å; V144-V286 PolarHBondContact O-N 3.4Å; V144-V297 HydrophobicContact CG2-CG1 4.38Å; V144-F306 HydrophobicContact CB-CD1 4.47Å; V144-F306 HydrophobicContact CB-CE1 3.82Å; V144-F306 HydrophobicContact CG1-CD1 3.42Å; V144-F306 VanDerWaalsContact CG1-CD1 3.42Å; V144-F306 HydrophobicContact CG1-CE1 3.19Å; V144-F306 HydrophobicContact CG1-CZ 4.29Å
145	S	92.3	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.6	-175	-176.9	0	0	0	0	112.8	F70 I147 I237 Y284	F70-S145 WeakPolarHBondContact CB-O 3.43Å; F70-S145 WeakPolarHBondContact CD2-O 3.45Å; F70-S145 WeakPolarHBondContact CE2-OG 3.15Å; S145-I147 PolarHBondContact OG-N 2.96Å; S145-I237 WeakPolarHBondContact OG-CD1 3.3Å; S145-Y284 CarbonylContact C-O 3.6Å; S145-Y284 WeakPolarHBondContact CA-O 2.97Å; S145-Y284 PolarHBondContact OG-O 3.39Å
146	N	92.1	Very high	92	Very high	35 Å²	35	27.3 Å²	27.3	19%	0.187	14%	0.137	C	C	.	.			trans	-128.8	19.8	167.5	67.4	-9.9	0	0	0	111.8	G283 Y284 Y307	N146-G283 WeakPolarHBondContact OD1-CA 3.36Å; N146-Y284 PolarHBondContact N-O 3.12Å; N146-Y284 PolarHBondContact OD1-N 3.49Å; N146-Y284 PolarHBondContact OD1-O 2.82Å; N146-Y284 VanDerWaalsContact OD1-O 3.1Å; N146-Y307 PolarHBondContact ND2-O 3.41Å
147	I	90.8	Very high	91.8	Very high	3 Å²	3	31 Å²	31	2%	0.015	15%	0.151	C	C	.	.			trans	-70.2	132.6	-178.4	-65.1	168	0	0	0	110.3	F70 S145 I149 T280	F70-I147 VanDerWaalsContact CE2-O 3.28Å; F70-I147 WeakPolarHBondContact CE2-O 3.5Å; S145-I147 PolarHBondContact OG-N 2.96Å; I147-I149 HydrophobicContact CG2-CG2 4.16Å; I147-I149 PolarHBondContact O-N 2.76Å; I147-T280 HydrophobicContact CG2-CG2 4Å
148	D	89.6	Confident	91.5	Very high	93 Å²	93	36 Å²	36	50%	0.497	17%	0.174	S	C	.	.			trans	-79.4	105.9	170	-179.4	13.3	0	0	0	110.4	S150	D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 WeakPolarHBondContact OD1-CB 3.47Å; D148-S150 PolarHBondContact OD1-N 2.97Å; D148-S150 PolarHBondContact OD1-OG 2.98Å
149	I	90.3	Very high	91.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.179	C	C	.	.			trans	-87	0.9	-179	71.2	168.1	0	0	0	113.4	F70 T74 V137 I147 Q151 A152 L153 I172	F70-I149 HydrophobicContact CE2-CG2 4.43Å; F70-I149 HydrophobicContact CZ-CG2 3.96Å; T74-I149 HydrophobicContact CG2-CD1 3.47Å; T74-I149 VanDerWaalsContact CG2-CD1 3.47Å; T74-I149 HydrophobicContact CG2-CG1 3.27Å; V137-I149 HydrophobicContact CG1-CD1 4.29Å; V137-I149 HydrophobicContact CG2-CD1 3.74Å; I147-I149 HydrophobicContact CG2-CG2 4.16Å; I147-I149 PolarHBondContact O-N 2.76Å; I149-Q151 VanDerWaalsContact C-N 3.27Å; I149-Q151 PolarHBondContact O-N 3.24Å; I149-A152 WeakPolarHBondContact O-CB 3.35Å; I149-A152 PolarHBondContact O-N 3.35Å; I149-A152 VanDerWaalsContact O-N 3.13Å; I149-L153 PolarHBondContact O-N 3.1Å; I149-I172 HydrophobicContact CB-CD1 3.94Å; I149-I172 HydrophobicContact CG2-CD1 3.42Å; I149-I172 VanDerWaalsContact CG2-CD1 3.42Å
150	S	90.8	Very high	90.8	Very high	46 Å²	46	39.4 Å²	39.4	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-57.9	-40.4	-176	-56.1	0	0	0	0	112.3	D148 Q154	D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 WeakPolarHBondContact OD1-CB 3.47Å; D148-S150 PolarHBondContact OD1-N 2.97Å; D148-S150 PolarHBondContact OD1-OG 2.98Å; S150-Q154 WeakPolarHBondContact O-CG 3.35Å; S150-Q154 PolarHBondContact O-N 3.06Å; S150-Q154 VanDerWaalsContact O-N 3.1Å
151	Q	91	Very high	90.6	Very high	115 Å²	115	45.4 Å²	45.4	54%	0.537	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-49.6	176.3	-63.2	-177	16.1	0	0	110.6	I149 L153 Q154 H155	I149-Q151 VanDerWaalsContact C-N 3.27Å; I149-Q151 PolarHBondContact O-N 3.24Å; Q151-L153 PolarHBondContact O-N 3Å; Q151-Q154 PolarHBondContact O-N 2.88Å; Q151-Q154 VanDerWaalsContact O-N 3.12Å; Q151-H155 PolarHBondContact O-CD2 3.49Å; Q151-H155 PolarHBondContact O-N 3.13Å
152	A	91.9	Very high	90.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-40.7	178.5	0	0	0	0	0	112	I149 H155 H156 I172 I239 H278	I149-A152 WeakPolarHBondContact O-CB 3.35Å; I149-A152 PolarHBondContact O-N 3.35Å; I149-A152 VanDerWaalsContact O-N 3.13Å; A152-H155 PolarHBondContact O-N 3.2Å; A152-H156 WeakPolarHBondContact O-CB 3.41Å; A152-H156 PolarHBondContact O-N 2.88Å; A152-I172 HydrophobicContact CB-CD1 4.41Å; A152-I239 HydrophobicContact CB-CD1 3.81Å; A152-H278 HydrophobicContact CB-CB 4.08Å
153	L	91.6	Very high	89.8	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-43.3	176.7	-176.5	65.1	0	0	0	112.4	L31 D135 I149 Q151 H156 R157 I239	L31-L153 HydrophobicContact CD1-CD1 4.16Å; L31-L153 HydrophobicContact CD1-CD2 3.81Å; L31-L153 HydrophobicContact CD2-CD2 3.88Å; L31-L153 HydrophobicContact CG-CD2 4.46Å; D135-L153 HydrophobicContact CB-CD1 4.47Å; I149-L153 PolarHBondContact O-N 3.1Å; Q151-L153 PolarHBondContact O-N 3Å; L153-H156 PolarHBondContact O-N 3.39Å; L153-R157 WeakPolarHBondContact O-CB 3.49Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.49Å; L153-I239 HydrophobicContact CB-CD1 4.09Å; L153-I239 HydrophobicContact CD1-CD1 4.46Å; L153-I239 HydrophobicContact CD1-CG2 3.84Å
154	Q	91.1	Very high	89.2	Confident	138 Å²	138	63.7 Å²	63.7	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-63.2	-43.7	175.8	-72.1	174.8	10	0	0	111.5	S150 Q151 R157 H158	S150-Q154 WeakPolarHBondContact O-CG 3.35Å; S150-Q154 PolarHBondContact O-N 3.06Å; S150-Q154 VanDerWaalsContact O-N 3.1Å; Q151-Q154 PolarHBondContact O-N 2.88Å; Q151-Q154 VanDerWaalsContact O-N 3.12Å; Q154-R157 PolarHBondContact O-N 3.44Å; Q154-H158 VanDerWaalsContact O-CB 3.29Å; Q154-H158 WeakPolarHBondContact O-CB 3.26Å; Q154-H158 PolarHBondContact O-N 3.5Å
155	H	91.3	Very high	88.5	Confident	96 Å²	96	66.9 Å²	66.9	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.4	-78.5	-77.1	0	0	0	111.9	Q151 A152 H158 R159	Q151-H155 PolarHBondContact O-CD2 3.49Å; Q151-H155 PolarHBondContact O-N 3.13Å; A152-H155 PolarHBondContact O-N 3.2Å; H155-H158 PolarHBondContact O-N 2.98Å; H155-R159 WeakPolarHBondContact O-CG 3.4Å; H155-R159 PolarHBondContact O-N 2.93Å
156	H	91.3	Very high	88	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-50.9	176	-178.7	78.1	0	0	0	111.6	D135 A152 L153 H158 R159 R160 T170 I239	D135-H156 IonicContact OD1-CD2 2.69Å; D135-H156 IonicContact OD1-NE2 2.61Å; D135-H156 IonicContact OD2-CD2 3.74Å; A152-H156 WeakPolarHBondContact O-CB 3.41Å; A152-H156 PolarHBondContact O-N 2.88Å; L153-H156 PolarHBondContact O-N 3.39Å; H156-H158 VanDerWaalsContact C-N 3.3Å; H156-H158 PolarHBondContact O-N 3.29Å; H156-R159 PolarHBondContact O-N 3.47Å; H156-R160 WeakPolarHBondContact NE2-CD 3.17Å; H156-R160 PolarHBondContact O-N 2.96Å; H156-T170 PolarHBondContact ND1-OG1 3.36Å; H156-I239 HydrophobicContact CB-CG2 4.3Å
157	R	90.5	Very high	87.7	Confident	78 Å²	78	68.4 Å²	68.4	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-40	176.7	-76.4	176.4	176.2	-175.9	-0.9	112.4	D135 L153 Q154 R160 K161	D135-R157 VanDerWaalsContact OD2-CG 3.26Å; D135-R157 WeakPolarHBondContact OD2-CG 3.29Å; D135-R157 IonicContact OD2-NE 3.5Å; L153-R157 WeakPolarHBondContact O-CB 3.49Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.49Å; Q154-R157 PolarHBondContact O-N 3.44Å; R157-R160 PolarHBondContact O-N 2.92Å; R157-K161 WeakPolarHBondContact O-CG 3.46Å; R157-K161 PolarHBondContact O-N 2.82Å
158	H	90.4	Very high	87.7	Confident	106 Å²	106	68.3 Å²	68.3	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-47.7	178	-172.8	73.3	0	0	0	111.9	Q154 H155 H156 R160 K161 M162	Q154-H158 VanDerWaalsContact O-CB 3.29Å; Q154-H158 WeakPolarHBondContact O-CB 3.26Å; Q154-H158 PolarHBondContact O-N 3.5Å; H155-H158 PolarHBondContact O-N 2.98Å; H156-H158 VanDerWaalsContact C-N 3.3Å; H156-H158 PolarHBondContact O-N 3.29Å; H158-R160 PolarHBondContact O-N 3.5Å; H158-K161 PolarHBondContact O-N 3.36Å; H158-M162 VanDerWaalsContact CE1-CE 3.49Å; H158-M162 WeakPolarHBondContact CE1-CE 3.45Å; H158-M162 VanDerWaalsContact NE2-CE 3.35Å; H158-M162 WeakPolarHBondContact NE2-CE 3.45Å; H158-M162 PolarHBondContact NE2-SD 3.01Å; H158-M162 PolarHBondContact O-N 3.44Å
159	R	88.7	Confident	87.8	Confident	37 Å²	37	63.9 Å²	63.9	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-45.9	175.8	-74.1	-174.6	-67.7	-101.5	1.4	111.7	H155 H156 K161 M162 D163 T170 H276	H155-R159 WeakPolarHBondContact O-CG 3.4Å; H155-R159 PolarHBondContact O-N 2.93Å; H156-R159 PolarHBondContact O-N 3.47Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 2.85Å; R159-M162 PolarHBondContact O-N 3.01Å; R159-M162 VanDerWaalsContact O-N 3.12Å; R159-D163 PolarHBondContact O-N 2.89Å; R159-T170 PolarHBondContact NH2-OG1 3.16Å; R159-T170 VanDerWaalsContact NH2-OG1 3.12Å; R159-H276 VanDerWaalsContact CD-CD2 3.43Å; R159-H276 WeakPolarHBondContact CD-CD2 3.35Å
160	R	87.4	Confident	88	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-40.7	176.4	-74.5	-166.5	65.7	-134.2	-2.3	112.9	D135 H156 R157 H158 K164 N165 S167	D135-R160 WeakPolarHBondContact OD1-CD 3.47Å; D135-R160 IonicContact OD1-CZ 2.73Å; D135-R160 IonicContact OD1-NE 3.53Å; D135-R160 IonicContact OD1-NH1 3.67Å; D135-R160 PolarHBondContact OD1-NH1 3.2Å; D135-R160 IonicContact OD2-NH1 3.25Å; H156-R160 WeakPolarHBondContact NE2-CD 3.17Å; H156-R160 PolarHBondContact O-N 2.96Å; R157-R160 PolarHBondContact O-N 2.92Å; H158-R160 PolarHBondContact O-N 3.5Å; R160-K164 PolarHBondContact O-N 3.07Å; R160-N165 PolarHBondContact NE-OD1 3.11Å; R160-N165 VanDerWaalsContact NH2-CG 3.34Å; R160-N165 PolarHBondContact NH2-OD1 2.95Å; R160-N165 PolarHBondContact O-N 3.02Å; R160-S167 WeakPolarHBondContact CG-O 3.45Å
161	K	87.5	Confident	88.2	Confident	146 Å²	146	61.6 Å²	61.6	64%	0.635	28%	0.283	S	S	*	.	H	α-helix	trans	-67.2	-36.6	176.5	-74.1	-174.6	176.5	-163.2	0	112.6	E26 R157 H158 R159	E26-K161 IonicContact OE2-NZ 3.9Å; E26-K161 PolarHBondContact OE2-NZ 3.16Å; R157-K161 WeakPolarHBondContact O-CG 3.46Å; R157-K161 PolarHBondContact O-N 2.82Å; H158-K161 PolarHBondContact O-N 3.36Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 2.85Å
162	M	85.4	Confident	88.4	Confident	127 Å²	127	56.1 Å²	56.1	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-77.4	-47.5	179.3	-71.8	-157	157.5	0	0	112.9	H158 R159 K164	H158-M162 VanDerWaalsContact CE1-CE 3.49Å; H158-M162 WeakPolarHBondContact CE1-CE 3.45Å; H158-M162 VanDerWaalsContact NE2-CE 3.35Å; H158-M162 WeakPolarHBondContact NE2-CE 3.45Å; H158-M162 PolarHBondContact NE2-SD 3.01Å; H158-M162 PolarHBondContact O-N 3.44Å; R159-M162 PolarHBondContact O-N 3.01Å; R159-M162 VanDerWaalsContact O-N 3.12Å; M162-K164 VanDerWaalsContact C-N 3.31Å; M162-K164 PolarHBondContact O-N 2.94Å
163	D	78.7	Confident	88.5	Confident	68 Å²	68	56.1 Å²	56.1	36%	0.364	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	22.2	-170.4	-56.1	-37.2	0	0	0	112.5	R159 N165 I166	R159-D163 PolarHBondContact O-N 2.89Å; D163-N165 VanDerWaalsContact C-N 3.32Å; D163-N165 PolarHBondContact O-N 3.02Å; D163-I166 HydrophobicContact CB-CB 4.21Å; D163-I166 HydrophobicContact CB-CD1 4.45Å; D163-I166 WeakPolarHBondContact O-CB 3.32Å; D163-I166 VanDerWaalsContact O-CD1 3.23Å; D163-I166 WeakPolarHBondContact O-CD1 3.32Å; D163-I166 WeakPolarHBondContact O-CG1 3.35Å; D163-I166 PolarHBondContact O-N 2.89Å; D163-I166 VanDerWaalsContact O-N 3.17Å
164	K	79.3	Confident	88.5	Confident	189 Å²	189	57.1 Å²	57.1	82%	0.822	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	48.6	178.4	-60.2	178.7	179.7	173.4	0	113.4	R160 M162	R160-K164 PolarHBondContact O-N 3.07Å; M162-K164 VanDerWaalsContact C-N 3.31Å; M162-K164 PolarHBondContact O-N 2.94Å
165	N	75.9	Confident	88.5	Confident	67 Å²	67	53.8 Å²	53.8	36%	0.358	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	26.7	178.4	-53.4	-34.9	0	0	0	116.4	R160 D163 Q243	R160-N165 PolarHBondContact NE-OD1 3.11Å; R160-N165 VanDerWaalsContact NH2-CG 3.34Å; R160-N165 PolarHBondContact NH2-OD1 2.95Å; R160-N165 PolarHBondContact O-N 3.02Å; D163-N165 VanDerWaalsContact C-N 3.32Å; D163-N165 PolarHBondContact O-N 3.02Å; N165-Q243 PolarHBondContact O-OE1 2.89Å; N165-Q243 VanDerWaalsContact O-OE1 3.09Å
166	I	82.3	Confident	88.3	Confident	68 Å²	68	49.9 Å²	49.9	35%	0.349	23%	0.23	S	C	.	.			trans	-71.7	-30.7	171.7	-71.8	166.5	0	0	0	112.5	D163 V168 G272 Q274	D163-I166 HydrophobicContact CB-CB 4.21Å; D163-I166 HydrophobicContact CB-CD1 4.45Å; D163-I166 WeakPolarHBondContact O-CB 3.32Å; D163-I166 VanDerWaalsContact O-CD1 3.23Å; D163-I166 WeakPolarHBondContact O-CD1 3.32Å; D163-I166 WeakPolarHBondContact O-CG1 3.35Å; D163-I166 PolarHBondContact O-N 2.89Å; D163-I166 VanDerWaalsContact O-N 3.17Å; I166-V168 PolarHBondContact O-N 3.13Å; I166-V168 VanDerWaalsContact O-N 3.13Å; I166-G272 WeakPolarHBondContact CG2-O 3.26Å; I166-Q274 HydrophobicContact CG2-CB 4.05Å; I166-Q274 HydrophobicContact CG2-CG 3.69Å; I166-Q274 PolarHBondContact O-N 3.27Å
167	S	85.4	Confident	88.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	103	178.1	-169	0	0	0	0	110.2	R160 H276	R160-S167 WeakPolarHBondContact CG-O 3.45Å; S167-H276 PolarHBondContact OG-ND1 3.12Å; S167-H276 VanDerWaalsContact OG-ND1 3.07Å
168	V	90.6	Very high	87.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-37.3	-175.7	-69.8	0	0	0	0	112.8	I166 S241 Q243 V244 L247 I264 N273 Q274 I275	I166-V168 PolarHBondContact O-N 3.13Å; I166-V168 VanDerWaalsContact O-N 3.13Å; V168-S241 WeakPolarHBondContact CA-OG 3.4Å; V168-S241 WeakPolarHBondContact O-CB 3.22Å; V168-S241 PolarHBondContact O-N 3.37Å; V168-S241 PolarHBondContact O-OG 3.24Å; V168-Q243 HydrophobicContact CG1-CB 4.49Å; V168-V244 HydrophobicContact CB-CG2 4.25Å; V168-V244 WeakPolarHBondContact O-CG2 3.42Å; V168-L247 HydrophobicContact CG1-CD1 4.27Å; V168-I264 HydrophobicContact CG2-CD1 4.21Å; V168-N273 HydrophobicContact CG1-CB 3.75Å; V168-N273 HydrophobicContact CG2-CB 4.14Å; V168-Q274 PolarHBondContact N-O 3Å; V168-Q274 VanDerWaalsContact N-O 3.12Å; V168-I275 HydrophobicContact CG2-CG1 4.07Å
169	M	93.3	Very high	87.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.6	-170	-173.6	178	-176.9	0	0	110.8	M171 S238 I239 V244 R257 F260 V261 I275 H276	M169-M171 HydrophobicContact CE-CG 3.9Å; M169-M171 HydrophobicContact CG-CG 4.4Å; M169-M171 HydrophobicContact SD-CG 4.38Å; M169-S238 WeakPolarHBondContact CE-OG 3.19Å; M169-I239 CarbonylContact C-O 3.51Å; M169-I239 WeakPolarHBondContact CA-O 3.46Å; M169-V244 HydrophobicContact CB-CG2 4.39Å; M169-R257 HydrophobicContact CE-CG 3.82Å; M169-F260 HydrophobicContact SD-CD1 4.26Å; M169-F260 HydrophobicContact SD-CE1 3.99Å; M169-V261 HydrophobicContact SD-CG2 4.4Å; M169-I275 HydrophobicContact CB-CG1 4.39Å; M169-I275 HydrophobicContact CB-CG2 4.25Å; M169-I275 HydrophobicContact CG-CG2 4.49Å; M169-H276 PolarHBondContact O-N 3.49Å
170	T	94.6	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.8	170.8	-63.2	0	0	0	0	109.7	H156 R159 I239 H276 H278	H156-T170 PolarHBondContact ND1-OG1 3.36Å; R159-T170 PolarHBondContact NH2-OG1 3.16Å; R159-T170 VanDerWaalsContact NH2-OG1 3.12Å; T170-I239 PolarHBondContact N-O 2.99Å; T170-I239 PolarHBondContact O-N 3.25Å; T170-H276 CarbonylContact C-O 3.51Å; T170-H276 VanDerWaalsContact CA-O 3.24Å; T170-H276 WeakPolarHBondContact CA-O 3.28Å; T170-H278 HydrophobicContact CG2-CB 4.22Å
171	M	94.5	Very high	86.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.3	-179.2	-66.7	175.2	68.1	0	0	110.8	M169 F173 I200 Y203 R257 V261 I275 H276 M277 H278	M169-M171 HydrophobicContact CE-CG 3.9Å; M169-M171 HydrophobicContact CG-CG 4.4Å; M169-M171 HydrophobicContact SD-CG 4.38Å; M171-F173 HydrophobicContact CB-CD2 4.3Å; M171-F173 HydrophobicContact CB-CE2 3.66Å; M171-F173 HydrophobicContact CB-CZ 4.32Å; M171-F173 HydrophobicContact CE-CE2 4.27Å; M171-F173 HydrophobicContact CE-CZ 3.81Å; M171-I200 HydrophobicContact CB-CD1 4.26Å; M171-I200 HydrophobicContact CG-CD1 4.34Å; M171-I200 HydrophobicContact SD-CD1 3.62Å; M171-Y203 HydrophobicContact CE-CD2 4.3Å; M171-Y203 HydrophobicContact CE-CE2 3.89Å; M171-R257 VanDerWaalsContact CE-NH1 3.3Å; M171-V261 HydrophobicContact CE-CG2 4.34Å; M171-V261 HydrophobicContact SD-CG1 4.28Å; M171-V261 HydrophobicContact SD-CG2 3.75Å; M171-I275 HydrophobicContact CG-CG2 4.2Å; M171-I275 HydrophobicContact SD-CG2 3.98Å; M171-H276 PolarHBondContact N-O 3.38Å; M171-M277 CarbonylContact O-C 3.56Å; M171-M277 VanDerWaalsContact O-CA 3.31Å; M171-M277 WeakPolarHBondContact O-CA 3.14Å; M171-H278 PolarHBondContact O-N 3.28Å
172	I	94.3	Very high	86	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.2	-179.3	-54.6	-177.5	0	0	0	109.5	I149 A152 S235 I237 I239	I149-I172 HydrophobicContact CB-CD1 3.94Å; I149-I172 HydrophobicContact CG2-CD1 3.42Å; I149-I172 VanDerWaalsContact CG2-CD1 3.42Å; A152-I172 HydrophobicContact CB-CD1 4.41Å; I172-S235 PolarHBondContact O-N 2.85Å; I172-S235 PolarHBondContact O-OG 2.89Å; I172-I237 HydrophobicContact CB-CB 4.42Å; I172-I237 WeakPolarHBondContact CB-O 3.45Å; I172-I237 HydrophobicContact CD1-CB 4.29Å; I172-I237 HydrophobicContact CD1-CG2 3.82Å; I172-I237 PolarHBondContact N-O 3.47Å; I172-I237 VanDerWaalsContact N-O 3.09Å; I172-I239 HydrophobicContact CD1-CD1 4.31Å; I172-I239 HydrophobicContact CD1-CG1 4.41Å
173	F	93.6	Very high	85.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151	177.1	-68.7	-87.5	0	0	0	111.1	M171 V189 V191 I200 Y203 L232 L233 D234 M277 H278 V279 T280	M171-F173 HydrophobicContact CB-CD2 4.3Å; M171-F173 HydrophobicContact CB-CE2 3.66Å; M171-F173 HydrophobicContact CB-CZ 4.32Å; M171-F173 HydrophobicContact CE-CE2 4.27Å; M171-F173 HydrophobicContact CE-CZ 3.81Å; F173-V189 HydrophobicContact CE1-CG2 4.26Å; F173-V191 HydrophobicContact CE1-CG2 4.18Å; F173-V191 HydrophobicContact CZ-CG2 4Å; F173-I200 HydrophobicContact CE2-CD1 4.12Å; F173-Y203 HydrophobicContact CE1-CE2 4.49Å; F173-Y203 HydrophobicContact CZ-CE2 4.21Å; F173-L232 HydrophobicContact CB-CB 4.28Å; F173-L232 HydrophobicContact CB-CD2 4.1Å; F173-L232 HydrophobicContact CD1-CB 3.96Å; F173-L232 HydrophobicContact CG-CB 4.36Å; F173-L232 HydrophobicContact CG-CD1 4.39Å; F173-L233 WeakPolarHBondContact CA-O 3.48Å; F173-D234 HydrophobicContact CD1-CB 4.32Å; F173-D234 HydrophobicContact CE1-CB 4.04Å; F173-M277 HydrophobicContact CD2-CB 3.95Å; F173-M277 HydrophobicContact CD2-CE 3.78Å; F173-M277 HydrophobicContact CE2-CB 3.99Å; F173-M277 HydrophobicContact CE2-CE 4.25Å; F173-M277 HydrophobicContact CG-CE 4.34Å; F173-H278 PolarHBondContact N-O 3.47Å; F173-V279 WeakPolarHBondContact O-CA 3.38Å; F173-T280 PolarHBondContact O-N 3.1Å
174	K	91.7	Very high	85.8	Confident	37 Å²	37	40.4 Å²	40.4	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130	173	171.6	61.7	-172.8	-176.8	0	109.5	S176 L233 T280 K281 G283	K174-S176 PolarHBondContact O-N 2.83Å; K174-L233 HydrophobicContact CB-CB 4.32Å; K174-L233 PolarHBondContact N-O 2.91Å; K174-L233 PolarHBondContact O-N 3.25Å; K174-T280 WeakPolarHBondContact CD-O 3.29Å; K174-K281 PolarHBondContact NZ-O 3.42Å; K174-G283 WeakPolarHBondContact CD-O 3.38Å; K174-G283 WeakPolarHBondContact CE-O 3.33Å; K174-G283 PolarHBondContact NZ-O 3.45Å
175	E	91.3	Very high	85.7	Confident	68 Å²	68	36.8 Å²	36.8	32%	0.318	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121	173.4	-167.9	166.5	130	0	0	110.1	R229 V279 T280 K281	E175-R229 IonicContact OE2-NH2 3.85Å; E175-R229 PolarHBondContact OE2-NH2 3.38Å; E175-R229 VanDerWaalsContact OE2-NH2 3.08Å; E175-V279 HydrophobicContact CB-CG1 4.21Å; E175-T280 PolarHBondContact N-O 2.99Å; E175-K281 HydrophobicContact CB-CG 4.48Å; E175-K281 WeakPolarHBondContact OE2-CE 3.49Å; E175-K281 IonicContact OE2-NZ 3.2Å
176	S	87	Confident	85.7	Confident	15 Å²	15	34 Å²	34	11%	0.105	19%	0.192	C	C	.	.			trans	-149.9	128.7	-178.8	-179.5	0	0	0	0	111.1	K174 H180 R183 D231	K174-S176 PolarHBondContact O-N 2.83Å; S176-H180 WeakPolarHBondContact OG-CB 3.36Å; S176-R183 PolarHBondContact O-NH1 3.26Å; S176-D231 CarbonylContact C-O 3.52Å; S176-D231 PolarHBondContact N-O 2.82Å; S176-D231 CarbonylContact O-C 3.59Å; S176-D231 WeakPolarHBondContact O-CA 3.44Å
177	S	86.9	Confident	85.7	Confident	74 Å²	74	31.8 Å²	31.8	52%	0.517	18%	0.181	S	C	.	.			trans	-57	141.2	178.1	56.2	0	0	0	0	112.2	G179 H180	S177-G179 PolarHBondContact O-N 3.14Å; S177-H180 WeakPolarHBondContact O-CB 3.49Å; S177-H180 PolarHBondContact O-N 3.43Å; S177-H180 VanDerWaalsContact O-N 3.16Å
178	P	83.4	Confident	85.7	Confident	73 Å²	73	32.8 Å²	32.8	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135.3	168.6	-23.4	33.8	0	0	0	110.7
179	G	77.4	Confident	85.7	Confident	77 Å²	77	32.9 Å²	32.9	79%	0.794	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	8.5	-175.5	0	0	0	0	0	115.7	S177	S177-G179 PolarHBondContact O-N 3.14Å
180	H	83.1	Confident	85.6	Confident	44 Å²	44	33 Å²	33	20%	0.204	19%	0.188	C	C	.	.			trans	-67	144.3	169.1	-169.5	-101.5	0	0	0	110.9	S176 S177 S182 R183 W305	S176-H180 WeakPolarHBondContact OG-CB 3.36Å; S177-H180 WeakPolarHBondContact O-CB 3.49Å; S177-H180 PolarHBondContact O-N 3.43Å; S177-H180 VanDerWaalsContact O-N 3.16Å; H180-S182 PolarHBondContact ND1-N 3.06Å; H180-S182 PolarHBondContact ND1-OG 3.2Å; H180-S182 PolarHBondContact O-N 2.81Å; H180-S182 VanDerWaalsContact O-N 3.08Å; H180-R183 WeakPolarHBondContact O-CB 3.44Å; H180-R183 PolarHBondContact O-N 3.09Å; H180-W305 AromaticContact NE2-CH2 3.77Å
181	R	80	Confident	85.4	Confident	110 Å²	110	33 Å²	33	42%	0.415	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.1	-177.7	63.1	175.4	58.4	-146.3	-12.3	114.8	R183 S296 R303	R181-R183 PolarHBondContact O-N 3.2Å; R181-S296 PolarHBondContact O-OG 2.86Å; R181-R303 VanDerWaalsContact NH1-NH1 3.19Å
182	S	77.5	Confident	85.3	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.7	-177.9	71.3	0	0	0	0	112.8	H180 M293	H180-S182 PolarHBondContact ND1-N 3.06Å; H180-S182 PolarHBondContact ND1-OG 3.2Å; H180-S182 PolarHBondContact O-N 2.81Å; H180-S182 VanDerWaalsContact O-N 3.08Å; S182-M293 WeakPolarHBondContact O-CE 3.35Å; S182-M293 VanDerWaalsContact O-SD 3.34Å
183	R	81.4	Confident	85.1	Confident	16 Å²	16	33.2 Å²	33.2	6%	0.06	19%	0.19	C	C	.	.			trans	-111.6	127.4	174.3	-66.7	-176.7	65.3	167.3	-2.9	107.6	S176 H180 R181 D188 H230 L233	S176-R183 PolarHBondContact O-NH1 3.26Å; H180-R183 WeakPolarHBondContact O-CB 3.44Å; H180-R183 PolarHBondContact O-N 3.09Å; R181-R183 PolarHBondContact O-N 3.2Å; R183-D188 IonicContact CZ-OD1 3.16Å; R183-D188 IonicContact NE-OD1 2.72Å; R183-D188 PolarHBondContact NE-OD1 3.12Å; R183-D188 IonicContact NH2-OD1 2.78Å; R183-D188 PolarHBondContact NH2-OD1 2.75Å; R183-H230 VanDerWaalsContact CZ-O 3.29Å; R183-H230 PolarHBondContact NH1-O 2.99Å; R183-H230 PolarHBondContact NH2-CE1 3.27Å; R183-H230 PolarHBondContact NH2-O 3.48Å; R183-L233 HydrophobicContact CG-CD1 4.01Å
184	C	79.6	Confident	84.9	Confident	7 Å²	7	34.1 Å²	34.1	5%	0.047	19%	0.194	C	C	.	.			trans	-106	149	168.5	72.3	0	0	0	0	108.7	E186 D187 D188 M293	C184-E186 PolarHBondContact O-N 3.34Å; C184-E186 VanDerWaalsContact O-N 3.11Å; C184-D187 PolarHBondContact O-N 3.48Å; C184-D187 VanDerWaalsContact O-N 3.15Å; C184-D187 VanDerWaalsContact SG-CB 3.57Å; C184-D187 PolarHBondContact SG-N 3.37Å; C184-D187 VanDerWaalsContact SG-N 3.37Å; C184-D188 PolarHBondContact O-N 3.4Å; C184-M293 HydrophobicContact CB-CE 4.09Å; C184-M293 HydrophobicContact CB-CG 4.3Å; C184-M293 HydrophobicContact CB-SD 4.09Å
185	E	75.8	Confident	84.6	Confident	112 Å²	112	34.1 Å²	34.1	52%	0.523	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.4	-178	-61.3	-176.6	169.8	0	0	112.8
186	E	77.3	Confident	84.4	Confident	10 Å²	10	37.1 Å²	37.1	5%	0.047	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-34.3	178.5	-65.2	176.1	-163.1	0	0	113.6	R43 C184 N290 G505 L506	R43-E186 IonicContact CZ-OE2 3.2Å; R43-E186 IonicContact NH1-OE2 3.76Å; R43-E186 PolarHBondContact NH1-OE2 3Å; R43-E186 IonicContact NH2-OE2 3.78Å; R43-E186 PolarHBondContact NH2-OE2 3.33Å; C184-E186 PolarHBondContact O-N 3.34Å; C184-E186 VanDerWaalsContact O-N 3.11Å; E186-N290 PolarHBondContact OE2-ND2 3.18Å; E186-G505 WeakPolarHBondContact OE1-CA 3.16Å; E186-L506 HydrophobicContact CG-CD1 3.86Å; E186-L506 HydrophobicContact CG-CG 4.17Å; E186-L506 PolarHBondContact OE1-N 3.32Å
187	D	81.1	Confident	84.2	Confident	20 Å²	20	38.3 Å²	38.3	11%	0.107	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3.9	177.6	-70.4	-32.5	0	0	0	112.2	C184 V189 S289 M293	C184-D187 PolarHBondContact O-N 3.48Å; C184-D187 VanDerWaalsContact O-N 3.15Å; C184-D187 VanDerWaalsContact SG-CB 3.57Å; C184-D187 PolarHBondContact SG-N 3.37Å; C184-D187 VanDerWaalsContact SG-N 3.37Å; D187-V189 PolarHBondContact O-N 3.25Å; D187-S289 WeakPolarHBondContact OD2-CB 3.29Å; D187-S289 PolarHBondContact OD2-OG 2.97Å; D187-M293 HydrophobicContact CB-CE 4.41Å
188	D	86.7	Confident	84.3	Confident	22 Å²	22	37.8 Å²	37.8	12%	0.118	21%	0.209	C	C	.	.			trans	-65.8	127.2	175	-91.1	-23.3	0	0	0	110.5	R183 C184 K205 T206	R183-D188 IonicContact CZ-OD1 3.16Å; R183-D188 IonicContact NE-OD1 2.72Å; R183-D188 PolarHBondContact NE-OD1 3.12Å; R183-D188 IonicContact NH2-OD1 2.78Å; R183-D188 PolarHBondContact NH2-OD1 2.75Å; C184-D188 PolarHBondContact O-N 3.4Å; D188-K205 CarbonylContact O-C 3.54Å; D188-K205 WeakPolarHBondContact O-CA 3.42Å; D188-T206 PolarHBondContact O-N 3.4Å; D188-T206 PolarHBondContact O-OG1 3.19Å
189	V	89.3	Confident	84.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.8	-175.9	-69.8	0	0	0	0	110.8	F173 D187 Y203 K205 H230 D234	F173-V189 HydrophobicContact CE1-CG2 4.26Å; D187-V189 PolarHBondContact O-N 3.25Å; V189-Y203 HydrophobicContact CB-CE2 4.3Å; V189-Y203 HydrophobicContact CG1-CE2 3.97Å; V189-Y203 WeakPolarHBondContact CG1-OH 3.38Å; V189-K205 HydrophobicContact CG1-CG 3.99Å; V189-H230 PolarHBondContact O-ND1 3.45Å; V189-D234 HydrophobicContact CG2-CB 4.37Å
190	V	91.2	Very high	85.3	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	168.7	-179.8	0	0	0	0	108.1	Q204 L212 F214 I228 H230	V190-Q204 PolarHBondContact N-O 3.28Å; V190-Q204 PolarHBondContact O-N 3.32Å; V190-Q204 VanDerWaalsContact O-N 3.1Å; V190-L212 HydrophobicContact CB-CD1 4.15Å; V190-L212 HydrophobicContact CG1-CD1 4.15Å; V190-L212 HydrophobicContact CG2-CD1 3.71Å; V190-F214 HydrophobicContact CG1-CE1 4.3Å; V190-F214 HydrophobicContact CG1-CZ 3.8Å; V190-I228 HydrophobicContact CG1-CG2 3.88Å; V190-H230 HydrophobicContact CG2-CB 4.16Å; V190-H230 VanDerWaalsContact CG2-ND1 3.28Å; V190-H230 WeakPolarHBondContact CG2-ND1 3.48Å
191	V	91.6	Very high	85.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.2	-175.9	-173.6	0	0	0	0	108.9	F173 I200 H202 Y203 R229 L232 M277	F173-V191 HydrophobicContact CE1-CG2 4.18Å; F173-V191 HydrophobicContact CZ-CG2 4Å; V191-I200 HydrophobicContact CG1-CG1 4.28Å; V191-I200 HydrophobicContact CG1-CG2 3.89Å; V191-H202 WeakPolarHBondContact CA-O 3.3Å; V191-Y203 HydrophobicContact CG2-CD2 3.96Å; V191-Y203 HydrophobicContact CG2-CE2 4.42Å; V191-R229 PolarHBondContact N-O 3.17Å; V191-R229 PolarHBondContact O-N 2.92Å; V191-L232 HydrophobicContact CB-CD1 4.4Å; V191-M277 HydrophobicContact CG1-SD 4.13Å
192	A	90.9	Very high	86	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.8	165.8	0	0	0	0	0	108.6	L201 H202 F214 I228	A192-L201 PolarHBondContact O-N 3Å; A192-H202 HydrophobicContact CB-CB 3.77Å; A192-H202 PolarHBondContact N-O 3.34Å; A192-H202 PolarHBondContact O-N 3Å; A192-H202 VanDerWaalsContact O-N 3.15Å; A192-F214 HydrophobicContact CB-CD1 4.46Å; A192-F214 HydrophobicContact CB-CE1 4.34Å; A192-I228 HydrophobicContact CB-CG1 4.19Å
193	M	90.1	Very high	86.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.2	-173.3	58.7	168	-62.8	0	0	112.3	Q198 Q199 F226 E227 M277	M193-Q198 HydrophobicContact CE-CB 4.3Å; M193-Q198 HydrophobicContact CE-CG 4.36Å; M193-Q198 VanDerWaalsContact CE-NE2 3.34Å; M193-Q198 VanDerWaalsContact CE-OE1 3.22Å; M193-Q199 CarbonylContact C-O 3.58Å; M193-Q199 WeakPolarHBondContact CA-O 3.43Å; M193-Q199 WeakPolarHBondContact CB-O 3.42Å; M193-F226 WeakPolarHBondContact O-CA 3.42Å; M193-E227 HydrophobicContact CG-CB 4.29Å; M193-E227 WeakPolarHBondContact CG-O 3.44Å; M193-E227 PolarHBondContact N-O 3.23Å; M193-E227 PolarHBondContact O-N 3Å; M193-M277 HydrophobicContact CB-SD 3.69Å; M193-M277 HydrophobicContact CE-CG 4.28Å; M193-M277 HydrophobicContact CE-SD 3.9Å; M193-M277 HydrophobicContact CG-SD 3.99Å; M193-M277 HydrophobicContact SD-CE 3.9Å; M193-M277 HydrophobicContact SD-CG 4.44Å; M193-M277 HydrophobicContact SD-SD 3.34Å
194	D	89.8	Confident	86.9	Confident	18 Å²	18	28 Å²	28	10%	0.096	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.7	167.3	172.3	30.5	0	0	0	110.4	K196 S197 Q198 Q199 L201	D194-K196 VanDerWaalsContact C-N 3.3Å; D194-K196 PolarHBondContact O-N 2.79Å; D194-K196 PolarHBondContact OD1-N 2.95Å; D194-S197 WeakPolarHBondContact CB-OG 3.28Å; D194-S197 VanDerWaalsContact OD2-CB 3.23Å; D194-S197 WeakPolarHBondContact OD2-CB 3.46Å; D194-S197 PolarHBondContact OD2-N 3.08Å; D194-S197 PolarHBondContact OD2-OG 3.28Å; D194-Q198 WeakPolarHBondContact O-CA 3.46Å; D194-Q198 PolarHBondContact O-N 3.07Å; D194-Q199 PolarHBondContact N-O 3.17Å; D194-L201 HydrophobicContact CB-CD1 4.48Å
195	S	85.9	Confident	87.3	Confident	38 Å²	38	29.3 Å²	29.3	27%	0.266	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.5	-174.9	-54.2	0	0	0	0	112.2	Q198 E225	S195-Q198 PolarHBondContact O-NE2 2.95Å; S195-E225 WeakPolarHBondContact CB-O 3.33Å; S195-E225 PolarHBondContact N-O 2.78Å; S195-E225 PolarHBondContact OG-O 3.3Å
196	K	85.8	Confident	87.6	Confident	131 Å²	131	25.2 Å²	25.2	57%	0.57	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-51.2	-174.1	-67.9	176.6	-174.8	166.5	0	112.3	D194 D224	D194-K196 VanDerWaalsContact C-N 3.3Å; D194-K196 PolarHBondContact O-N 2.79Å; D194-K196 PolarHBondContact OD1-N 2.95Å; K196-D224 IonicContact NZ-OD2 3.75Å
197	S	84.7	Confident	87.6	Confident	40 Å²	40	30.6 Å²	30.6	28%	0.28	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-19.8	-179.1	64.1	0	0	0	0	113.4	D194 Q199 H276	D194-S197 WeakPolarHBondContact CB-OG 3.28Å; D194-S197 VanDerWaalsContact OD2-CB 3.23Å; D194-S197 WeakPolarHBondContact OD2-CB 3.46Å; D194-S197 PolarHBondContact OD2-N 3.08Å; D194-S197 PolarHBondContact OD2-OG 3.28Å; S197-Q199 PolarHBondContact O-N 3.44Å; S197-Q199 VanDerWaalsContact OG-CB 3.23Å; S197-Q199 WeakPolarHBondContact OG-CB 3.41Å; S197-Q199 PolarHBondContact OG-N 3.26Å; S197-Q199 VanDerWaalsContact OG-N 3.16Å; S197-H276 PolarHBondContact O-CD2 2.9Å
198	Q	88.8	Confident	87.1	Confident	63 Å²	63	32.4 Å²	32.4	29%	0.294	18%	0.177	S	C	.	.			trans	57.8	30.8	-167.3	-53	-79.9	-56.6	0	0	111.7	M193 D194 S195 H276 M277	M193-Q198 HydrophobicContact CE-CB 4.3Å; M193-Q198 HydrophobicContact CE-CG 4.36Å; M193-Q198 VanDerWaalsContact CE-NE2 3.34Å; M193-Q198 VanDerWaalsContact CE-OE1 3.22Å; D194-Q198 WeakPolarHBondContact O-CA 3.46Å; D194-Q198 PolarHBondContact O-N 3.07Å; S195-Q198 PolarHBondContact O-NE2 2.95Å; Q198-H276 CarbonylContact O-C 3.51Å; Q198-H276 WeakPolarHBondContact O-CA 3.35Å; Q198-M277 HydrophobicContact CB-CG 4.4Å; Q198-M277 WeakPolarHBondContact O-CG 3.29Å; Q198-M277 PolarHBondContact O-N 3.44Å
199	Q	89.9	Confident	86.7	Confident	18 Å²	18	35.3 Å²	35.3	8%	0.084	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-77.1	137.5	171.4	-178.1	-179	-11.8	0	0	109.7	M193 D194 S197 L201 E268	M193-Q199 CarbonylContact C-O 3.58Å; M193-Q199 WeakPolarHBondContact CA-O 3.43Å; M193-Q199 WeakPolarHBondContact CB-O 3.42Å; D194-Q199 PolarHBondContact N-O 3.17Å; S197-Q199 PolarHBondContact O-N 3.44Å; S197-Q199 VanDerWaalsContact OG-CB 3.23Å; S197-Q199 WeakPolarHBondContact OG-CB 3.41Å; S197-Q199 PolarHBondContact OG-N 3.26Å; S197-Q199 VanDerWaalsContact OG-N 3.16Å; Q199-L201 HydrophobicContact CG-CD2 4.32Å; Q199-E268 PolarHBondContact NE2-OE1 3Å
200	I	91.3	Very high	86.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.6	170.4	-57.9	-179.8	0	0	0	107.9	M171 F173 V191 L265 I275 M277	M171-I200 HydrophobicContact CB-CD1 4.26Å; M171-I200 HydrophobicContact CG-CD1 4.34Å; M171-I200 HydrophobicContact SD-CD1 3.62Å; F173-I200 HydrophobicContact CE2-CD1 4.12Å; V191-I200 HydrophobicContact CG1-CG1 4.28Å; V191-I200 HydrophobicContact CG1-CG2 3.89Å; I200-L265 HydrophobicContact CG2-CD1 3.96Å; I200-L265 HydrophobicContact CG2-CD2 4.36Å; I200-L265 WeakPolarHBondContact O-CD2 3.49Å; I200-I275 HydrophobicContact CD1-CG2 3.91Å; I200-I275 HydrophobicContact CG1-CG2 4.49Å; I200-I275 PolarHBondContact N-O 2.91Å; I200-M277 HydrophobicContact CD1-CB 4.01Å; I200-M277 HydrophobicContact CG1-CB 3.88Å; I200-M277 HydrophobicContact CG1-CG 4.07Å; I200-M277 HydrophobicContact CG1-SD 4.18Å
201	L	88.5	Confident	86.2	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.073	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-33.4	177	-57.1	174.3	0	0	0	111.2	A192 D194 Q199 I218	A192-L201 PolarHBondContact O-N 3Å; D194-L201 HydrophobicContact CB-CD1 4.48Å; Q199-L201 HydrophobicContact CG-CD2 4.32Å; L201-I218 HydrophobicContact CB-CG1 4.34Å; L201-I218 HydrophobicContact CB-CG2 3.76Å; L201-I218 HydrophobicContact CD1-CG2 3.71Å; L201-I218 HydrophobicContact CG-CG2 4.36Å
202	H	89.6	Confident	85.8	Confident	32 Å²	32	56.2 Å²	56.2	15%	0.148	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.6	176.5	-163.4	67.2	0	0	0	111.3	V191 A192 F214 I218	V191-H202 WeakPolarHBondContact CA-O 3.3Å; A192-H202 HydrophobicContact CB-CB 3.77Å; A192-H202 PolarHBondContact N-O 3.34Å; A192-H202 PolarHBondContact O-N 3Å; A192-H202 VanDerWaalsContact O-N 3.15Å; H202-F214 HydrophobicContact CB-CD1 4.31Å; H202-F214 AromaticContact CD2-CD1 3.51Å; H202-F214 AromaticContact CD2-CE1 3.61Å; H202-I218 HydrophobicContact CB-CD1 3.59Å
203	Y	90.5	Very high	85.6	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	118.2	177.6	178.6	-91.9	0	0	0	109.1	M171 F173 V189 V191 D234 R257 D258 V261	M171-Y203 HydrophobicContact CE-CD2 4.3Å; M171-Y203 HydrophobicContact CE-CE2 3.89Å; F173-Y203 HydrophobicContact CE1-CE2 4.49Å; F173-Y203 HydrophobicContact CZ-CE2 4.21Å; V189-Y203 HydrophobicContact CB-CE2 4.3Å; V189-Y203 HydrophobicContact CG1-CE2 3.97Å; V189-Y203 WeakPolarHBondContact CG1-OH 3.38Å; V191-Y203 HydrophobicContact CG2-CD2 3.96Å; V191-Y203 HydrophobicContact CG2-CE2 4.42Å; Y203-D234 PolarHBondContact OH-OD2 2.85Å; Y203-R257 PolarHBondContact OH-NH2 2.89Å; Y203-D258 HydrophobicContact CE1-CB 4.15Å; Y203-V261 HydrophobicContact CD1-CG1 4.08Å; Y203-V261 HydrophobicContact CG-CG1 3.9Å
204	Q	87.8	Confident	85.4	Confident	49 Å²	49	66 Å²	66	23%	0.229	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.9	178.5	-168.1	-179.1	14	0	0	110.6	V190	V190-Q204 PolarHBondContact N-O 3.28Å; V190-Q204 PolarHBondContact O-N 3.32Å; V190-Q204 VanDerWaalsContact O-N 3.1Å
205	K	86.9	Confident	85.2	Confident	35 Å²	35	68 Å²	68	15%	0.152	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.6	169.1	-69.1	-172.8	178.1	179.4	0	110.5	D188 V189 Q207 D258	D188-K205 CarbonylContact O-C 3.54Å; D188-K205 WeakPolarHBondContact O-CA 3.42Å; V189-K205 HydrophobicContact CG1-CG 3.99Å; K205-Q207 HydrophobicContact CB-CG 4.07Å; K205-D258 WeakPolarHBondContact CE-OD2 3.43Å; K205-D258 IonicContact NZ-OD2 3.14Å; K205-D258 PolarHBondContact NZ-OD2 3.01Å
206	T	81.9	Confident	85	Confident	26 Å²	26	71.9 Å²	71.9	16%	0.16	36%	0.358	C	S	.	.			trans	-76.6	-33.8	-175.8	-53	0	0	0	0	112.4	D188 G208 L209	D188-T206 PolarHBondContact O-N 3.4Å; D188-T206 PolarHBondContact O-OG1 3.19Å; T206-G208 PolarHBondContact O-N 3.45Å; T206-L209 WeakPolarHBondContact O-CA 3.39Å; T206-L209 WeakPolarHBondContact O-CB 3.15Å; T206-L209 VanDerWaalsContact O-CG 3.31Å; T206-L209 WeakPolarHBondContact O-CG 3.37Å; T206-L209 PolarHBondContact O-N 2.82Å
207	Q	76.9	Confident	84.7	Confident	124 Å²	124	70.9 Å²	70.9	58%	0.579	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	34	45.1	173.1	-68.1	-174.4	-16.1	0	0	115.6	K205 L209	K205-Q207 HydrophobicContact CB-CG 4.07Å; Q207-L209 VanDerWaalsContact C-N 3.28Å; Q207-L209 PolarHBondContact O-N 2.86Å
208	G	70.9	Confident	84.4	Confident	57 Å²	57	69.5 Å²	69.5	59%	0.588	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	3.3	-179.8	0	0	0	0	0	116.5	T206 K210	T206-G208 PolarHBondContact O-N 3.45Å; G208-K210 PolarHBondContact O-N 2.81Å
209	L	78.8	Confident	83.7	Confident	84 Å²	84	70.5 Å²	70.5	44%	0.44	35%	0.352	S	S	.	.			trans	-69.5	121.6	175.6	-61	173	0	0	0	111	T206 Q207	T206-L209 WeakPolarHBondContact O-CA 3.39Å; T206-L209 WeakPolarHBondContact O-CB 3.15Å; T206-L209 VanDerWaalsContact O-CG 3.31Å; T206-L209 WeakPolarHBondContact O-CG 3.37Å; T206-L209 PolarHBondContact O-N 2.82Å; Q207-L209 VanDerWaalsContact C-N 3.28Å; Q207-L209 PolarHBondContact O-N 2.86Å
210	K	82.3	Confident	82.8	Confident	214 Å²	214	76.3 Å²	76.3	93%	0.93	38%	0.379	S	S	*	.	S	Bend	trans	-78.3	-21.8	174.3	-64.8	-179.7	-177.7	172.6	0	113.3	G208	G208-K210 PolarHBondContact O-N 2.81Å
211	K	86.6	Confident	81.4	Confident	173 Å²	173	78.9 Å²	78.9	75%	0.752	40%	0.397	S	S	*	.	S	Bend	trans	-128.4	137.7	-178.1	-64.5	179.5	-176.9	172.4	0	109
212	L	84.8	Confident	79.9	Confident	57 Å²	57	81.8 Å²	81.8	30%	0.298	43%	0.431	S	S	.	.			trans	-115.4	136.7	179.4	-63	168.4	0	0	0	109.5	V190 F214	V190-L212 HydrophobicContact CB-CD1 4.15Å; V190-L212 HydrophobicContact CG1-CD1 4.15Å; V190-L212 HydrophobicContact CG2-CD1 3.71Å; L212-F214 HydrophobicContact CB-CE2 3.94Å; L212-F214 HydrophobicContact CB-CZ 4.35Å
213	H	86.4	Confident	78.7	Confident	155 Å²	155	81.9 Å²	81.9	72%	0.718	44%	0.435	S	S	*	.			trans	-111.4	116.6	-179.2	-71.1	-82.1	0	0	0	109.7
214	F	86.3	Confident	77.7	Confident	56 Å²	56	88.4 Å²	88.4	25%	0.246	47%	0.47	C	S	.	.			trans	-101.5	130.3	176.3	-64.7	-84.9	0	0	0	110.2	V190 A192 H202 L212 I218 I228	V190-F214 HydrophobicContact CG1-CE1 4.3Å; V190-F214 HydrophobicContact CG1-CZ 3.8Å; A192-F214 HydrophobicContact CB-CD1 4.46Å; A192-F214 HydrophobicContact CB-CE1 4.34Å; H202-F214 HydrophobicContact CB-CD1 4.31Å; H202-F214 AromaticContact CD2-CD1 3.51Å; H202-F214 AromaticContact CD2-CE1 3.61Å; L212-F214 HydrophobicContact CB-CE2 3.94Å; L212-F214 HydrophobicContact CB-CZ 4.35Å; F214-I218 HydrophobicContact CB-CD1 4.47Å; F214-I228 HydrophobicContact CE1-CG2 4.41Å; F214-I228 HydrophobicContact CE2-CD1 4.33Å; F214-I228 HydrophobicContact CZ-CD1 4.36Å; F214-I228 HydrophobicContact CZ-CG2 3.95Å
215	P	84.4	Confident	77.5	Confident	60 Å²	60	91.2 Å²	91.2	39%	0.39	48%	0.483	S	S	.	.			trans	-67.2	139.8	176.8	24.6	-30.9	0	0	0	111.4	N217 I218	P215-N217 PolarHBondContact O-N 3.47Å; P215-I218 HydrophobicContact CG-CD1 3.53Å; P215-I218 HydrophobicContact CG-CG1 4.04Å; P215-I218 WeakPolarHBondContact O-CD1 3.16Å; P215-I218 PolarHBondContact O-N 2.86Å
216	M	81.9	Confident	77.4	Confident	118 Å²	118	94.4 Å²	94.4	58%	0.581	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.9	-177.4	-71.5	-61.8	-65	0	0	113.4	I218 F219 H220	M216-I218 PolarHBondContact O-N 3.22Å; M216-F219 HydrophobicContact CE-CD2 4Å; M216-F219 PolarHBondContact O-N 3.19Å; M216-F219 HydrophobicContact SD-CD2 3.83Å; M216-F219 HydrophobicContact SD-CE2 3.93Å; M216-H220 PolarHBondContact O-CE1 3.21Å; M216-H220 PolarHBondContact O-ND1 3.13Å
217	N	78.6	Confident	77.8	Confident	110 Å²	110	97.3 Å²	97.3	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-31.2	-179.6	-64.5	0.9	0	0	0	112.1	P215 F219 H220 S221	P215-N217 PolarHBondContact O-N 3.47Å; N217-F219 PolarHBondContact O-N 3.03Å; N217-H220 PolarHBondContact O-N 2.95Å; N217-S221 PolarHBondContact O-N 3.4Å; N217-S221 PolarHBondContact O-OG 3.36Å
218	I	78.5	Confident	78.5	Confident	12 Å²	12	95.1 Å²	95.1	6%	0.062	50%	0.5	C	S	.	.	H	α-helix	trans	-57	-31.8	176.3	-63	162.7	0	0	0	112.1	L201 H202 F214 P215 M216 S221	L201-I218 HydrophobicContact CB-CG1 4.34Å; L201-I218 HydrophobicContact CB-CG2 3.76Å; L201-I218 HydrophobicContact CD1-CG2 3.71Å; L201-I218 HydrophobicContact CG-CG2 4.36Å; H202-I218 HydrophobicContact CB-CD1 3.59Å; F214-I218 HydrophobicContact CB-CD1 4.47Å; P215-I218 HydrophobicContact CG-CD1 3.53Å; P215-I218 HydrophobicContact CG-CG1 4.04Å; P215-I218 WeakPolarHBondContact O-CD1 3.16Å; P215-I218 PolarHBondContact O-N 2.86Å; M216-I218 PolarHBondContact O-N 3.22Å; I218-S221 PolarHBondContact O-OG 3.07Å
219	F	75.3	Confident	79.5	Confident	83 Å²	83	93.6 Å²	93.6	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-86.7	-14.1	-179.4	-54.6	-67	0	0	0	113.3	M216 N217 F226	M216-F219 HydrophobicContact CE-CD2 4Å; M216-F219 PolarHBondContact O-N 3.19Å; M216-F219 HydrophobicContact SD-CD2 3.83Å; M216-F219 HydrophobicContact SD-CE2 3.93Å; N217-F219 PolarHBondContact O-N 3.03Å; F219-F226 HydrophobicContact CD1-CD1 4.09Å; F219-F226 AromaticContact CD1-CE1 3.74Å; F219-F226 HydrophobicContact CD1-CE1 3.74Å; F219-F226 HydrophobicContact CD1-CE2 4.29Å; F219-F226 AromaticContact CD1-CZ 3.86Å; F219-F226 HydrophobicContact CD1-CZ 3.86Å; F219-F226 HydrophobicContact CE1-CD1 4.31Å; F219-F226 HydrophobicContact CE1-CD2 4.04Å; F219-F226 AromaticContact CE1-CE1 3.87Å; F219-F226 HydrophobicContact CE1-CE1 3.87Å; F219-F226 AromaticContact CE1-CE2 3.59Å; F219-F226 HydrophobicContact CE1-CE2 3.59Å; F219-F226 HydrophobicContact CE1-CG 4.39Å; F219-F226 AromaticContact CE1-CZ 3.49Å; F219-F226 HydrophobicContact CE1-CZ 3.49Å; F219-F226 VanDerWaalsContact CE1-CZ 3.49Å
220	H	71.3	Confident	80	Confident	141 Å²	141	92.9 Å²	92.9	65%	0.653	47%	0.471	S	S	*	.	H	α-helix	trans	-89.5	-22.9	-178.8	-66.7	84.1	0	0	0	112.1	M216 N217 G222	M216-H220 PolarHBondContact O-CE1 3.21Å; M216-H220 PolarHBondContact O-ND1 3.13Å; N217-H220 PolarHBondContact O-N 2.95Å; H220-G222 PolarHBondContact O-N 2.69Å
221	S	61.1	Low	80.5	Confident	53 Å²	53	84.8 Å²	84.8	37%	0.371	44%	0.438	S	S	.	.	S	Bend	trans	-76.2	64.2	-179.8	29	0	0	0	0	112.6	N217 I218 S223	N217-S221 PolarHBondContact O-N 3.4Å; N217-S221 PolarHBondContact O-OG 3.36Å; I218-S221 PolarHBondContact O-OG 3.07Å; S221-S223 PolarHBondContact O-N 3.38Å
222	G	57.9	Low	80.7	Confident	76 Å²	76	76.6 Å²	76.6	78%	0.784	40%	0.403	S	S	*	.	S	Bend	trans	57.2	-6.1	150.2	0	0	0	0	0	121	H220	H220-G222 PolarHBondContact O-N 2.69Å
223	S	64.2	Low	80.9	Confident	34 Å²	34	74.4 Å²	74.4	24%	0.238	39%	0.391	C	S	.	.			trans	-87.6	122.5	-179.7	57.7	0	0	0	0	110.6	S221 E225	S221-S223 PolarHBondContact O-N 3.38Å; S223-E225 PolarHBondContact O-N 3.33Å
224	D	68.1	Low	81.2	Confident	140 Å²	140	67.4 Å²	67.4	75%	0.749	36%	0.359	S	S	*	.	S	Bend	trans	-67.4	-20.4	178.6	-64.2	-39.4	0	0	0	113.4	K196	K196-D224 IonicContact NZ-OD2 3.75Å
225	E	83.7	Confident	81.2	Confident	108 Å²	108	64.8 Å²	64.8	51%	0.505	35%	0.347	S	S	.	.			trans	-141.1	100.9	-171.2	-68.5	178.1	168.6	0	0	112.4	S195 S223	S195-E225 WeakPolarHBondContact CB-O 3.33Å; S195-E225 PolarHBondContact N-O 2.78Å; S195-E225 PolarHBondContact OG-O 3.3Å; S223-E225 PolarHBondContact O-N 3.33Å
226	F	86.4	Confident	81.5	Confident	102 Å²	102	62.4 Å²	62.4	45%	0.447	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.8	173.5	67.3	-90.2	0	0	0	111.6	M193 F219	M193-F226 WeakPolarHBondContact O-CA 3.42Å; F219-F226 HydrophobicContact CD1-CD1 4.09Å; F219-F226 AromaticContact CD1-CE1 3.74Å; F219-F226 HydrophobicContact CD1-CE1 3.74Å; F219-F226 HydrophobicContact CD1-CE2 4.29Å; F219-F226 AromaticContact CD1-CZ 3.86Å; F219-F226 HydrophobicContact CD1-CZ 3.86Å; F219-F226 HydrophobicContact CE1-CD1 4.31Å; F219-F226 HydrophobicContact CE1-CD2 4.04Å; F219-F226 AromaticContact CE1-CE1 3.87Å; F219-F226 HydrophobicContact CE1-CE1 3.87Å; F219-F226 AromaticContact CE1-CE2 3.59Å; F219-F226 HydrophobicContact CE1-CE2 3.59Å; F219-F226 HydrophobicContact CE1-CG 4.39Å; F219-F226 AromaticContact CE1-CZ 3.49Å; F219-F226 HydrophobicContact CE1-CZ 3.49Å; F219-F226 VanDerWaalsContact CE1-CZ 3.49Å
227	E	90.1	Very high	82.1	Confident	87 Å²	87	56.8 Å²	56.8	41%	0.407	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.6	175.2	-167.6	-178.9	175.9	0	0	109.9	M193 R229	M193-E227 HydrophobicContact CG-CB 4.29Å; M193-E227 WeakPolarHBondContact CG-O 3.44Å; M193-E227 PolarHBondContact N-O 3.23Å; M193-E227 PolarHBondContact O-N 3Å; E227-R229 HydrophobicContact CG-CG 3.86Å
228	I	91.6	Very high	82.9	Confident	78 Å²	78	51.6 Å²	51.6	40%	0.4	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.1	171.9	-58.4	175.4	0	0	0	107.5	V190 A192 F214	V190-I228 HydrophobicContact CG1-CG2 3.88Å; A192-I228 HydrophobicContact CB-CG1 4.19Å; F214-I228 HydrophobicContact CE1-CG2 4.41Å; F214-I228 HydrophobicContact CE2-CD1 4.33Å; F214-I228 HydrophobicContact CZ-CD1 4.36Å; F214-I228 HydrophobicContact CZ-CG2 3.95Å
229	R	90.8	Very high	83.7	Confident	25 Å²	25	51 Å²	51	9%	0.094	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.6	-176.1	-69	-165.3	66.8	168	2.7	111.3	E175 V191 E227 D231 L232	E175-R229 IonicContact OE2-NH2 3.85Å; E175-R229 PolarHBondContact OE2-NH2 3.38Å; E175-R229 VanDerWaalsContact OE2-NH2 3.08Å; V191-R229 PolarHBondContact N-O 3.17Å; V191-R229 PolarHBondContact O-N 2.92Å; E227-R229 HydrophobicContact CG-CG 3.86Å; R229-D231 WeakPolarHBondContact CB-OD1 3.36Å; R229-D231 IonicContact CZ-OD1 2.63Å; R229-D231 IonicContact CZ-OD2 3.27Å; R229-D231 IonicContact NE-OD1 3.9Å; R229-D231 PolarHBondContact NE-OD1 3.41Å; R229-D231 IonicContact NE-OD2 2.98Å; R229-D231 VanDerWaalsContact NH2-CG 3.33Å; R229-D231 IonicContact NH2-OD1 3.54Å; R229-D231 PolarHBondContact NH2-OD1 3.08Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.34Å; R229-L232 HydrophobicContact CB-CD1 3.68Å; R229-L232 HydrophobicContact CB-CG 3.97Å
230	H	90.8	Very high	84.6	Confident	69 Å²	69	47 Å²	47	32%	0.319	26%	0.255	S	S	.	.			trans	-114.2	2.5	170.1	-177.9	56.6	0	0	0	111.7	R183 V189 V190 L232	R183-H230 VanDerWaalsContact CZ-O 3.29Å; R183-H230 PolarHBondContact NH1-O 2.99Å; R183-H230 PolarHBondContact NH2-CE1 3.27Å; R183-H230 PolarHBondContact NH2-O 3.48Å; V189-H230 PolarHBondContact O-ND1 3.45Å; V190-H230 HydrophobicContact CG2-CB 4.16Å; V190-H230 VanDerWaalsContact CG2-ND1 3.28Å; V190-H230 WeakPolarHBondContact CG2-ND1 3.48Å; H230-L232 VanDerWaalsContact C-N 3.29Å; H230-L232 PolarHBondContact O-N 2.86Å
231	D	91.1	Very high	85.6	Confident	44 Å²	44	40.3 Å²	40.3	24%	0.235	22%	0.224	C	C	.	.	S	Bend	trans	-92.8	18.7	178.7	67.4	-33.9	0	0	0	112.7	S176 R229	S176-D231 CarbonylContact C-O 3.52Å; S176-D231 PolarHBondContact N-O 2.82Å; S176-D231 CarbonylContact O-C 3.59Å; S176-D231 WeakPolarHBondContact O-CA 3.44Å; R229-D231 WeakPolarHBondContact CB-OD1 3.36Å; R229-D231 IonicContact CZ-OD1 2.63Å; R229-D231 IonicContact CZ-OD2 3.27Å; R229-D231 IonicContact NE-OD1 3.9Å; R229-D231 PolarHBondContact NE-OD1 3.41Å; R229-D231 IonicContact NE-OD2 2.98Å; R229-D231 VanDerWaalsContact NH2-CG 3.33Å; R229-D231 IonicContact NH2-OD1 3.54Å; R229-D231 PolarHBondContact NH2-OD1 3.08Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.34Å
232	L	91	Very high	87.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.9	-177.3	-61.8	174.8	0	0	0	110.5	F173 V191 R229 H230 M277 V279	F173-L232 HydrophobicContact CB-CB 4.28Å; F173-L232 HydrophobicContact CB-CD2 4.1Å; F173-L232 HydrophobicContact CD1-CB 3.96Å; F173-L232 HydrophobicContact CG-CB 4.36Å; F173-L232 HydrophobicContact CG-CD1 4.39Å; V191-L232 HydrophobicContact CB-CD1 4.4Å; R229-L232 HydrophobicContact CB-CD1 3.68Å; R229-L232 HydrophobicContact CB-CG 3.97Å; H230-L232 VanDerWaalsContact C-N 3.29Å; H230-L232 PolarHBondContact O-N 2.86Å; L232-M277 HydrophobicContact CD1-CE 3.43Å; L232-M277 VanDerWaalsContact CD1-CE 3.43Å; L232-V279 HydrophobicContact CD2-CG1 3.78Å; L232-V279 HydrophobicContact CD2-CG2 3.91Å
233	L	90.2	Very high	88.6	Confident	10 Å²	10	38 Å²	38	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.9	168	174.7	63.9	0	0	0	108.8	F173 K174 R183 S235 V286	F173-L233 WeakPolarHBondContact CA-O 3.48Å; K174-L233 HydrophobicContact CB-CB 4.32Å; K174-L233 PolarHBondContact N-O 2.91Å; K174-L233 PolarHBondContact O-N 3.25Å; R183-L233 HydrophobicContact CG-CD1 4.01Å; L233-S235 PolarHBondContact O-N 2.98Å; L233-V286 HydrophobicContact CD2-CG2 3.62Å
234	D	91.3	Very high	90	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.2	176.5	-164.7	-20.1	0	0	0	109.9	F173 V189 Y203 H236 R257	F173-D234 HydrophobicContact CD1-CB 4.32Å; F173-D234 HydrophobicContact CE1-CB 4.04Å; V189-D234 HydrophobicContact CG2-CB 4.37Å; Y203-D234 PolarHBondContact OH-OD2 2.85Å; D234-H236 VanDerWaalsContact C-N 3.26Å; D234-H236 PolarHBondContact O-N 3.2Å; D234-H236 PolarHBondContact OD1-N 3.13Å; D234-R257 IonicContact OD1-CZ 2.79Å; D234-R257 IonicContact OD1-NH1 2.85Å; D234-R257 PolarHBondContact OD1-NH1 2.84Å; D234-R257 IonicContact OD1-NH2 3.35Å; D234-R257 IonicContact OD2-CZ 3.99Å; D234-R257 VanDerWaalsContact OD2-CZ 3.27Å; D234-R257 IonicContact OD2-NH1 3.07Å; D234-R257 PolarHBondContact OD2-NH1 2.78Å; D234-R257 IonicContact OD2-NH2 2.68Å; D234-R257 PolarHBondContact OD2-NH2 3.46Å
235	S	88	Confident	91.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-9.4	179.4	70.3	0	0	0	0	112.9	I172 L233 I237	I172-S235 PolarHBondContact O-N 2.85Å; I172-S235 PolarHBondContact O-OG 2.89Å; L233-S235 PolarHBondContact O-N 2.98Å; S235-I237 PolarHBondContact O-N 3.08Å; S235-I237 VanDerWaalsContact O-N 3.13Å; S235-I237 PolarHBondContact OG-N 3.48Å
236	H	90.8	Very high	91.6	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.046	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	22	-171.6	-70.6	-87.3	0	0	0	114.5	Y140 V143 D234 R257 R287	Y140-H236 HydrophobicContact CD2-CB 4.38Å; V143-H236 HydrophobicContact CG2-CB 4.22Å; D234-H236 VanDerWaalsContact C-N 3.26Å; D234-H236 PolarHBondContact O-N 3.2Å; D234-H236 PolarHBondContact OD1-N 3.13Å; H236-R257 PolarHBondContact CE1-NH2 2.86Å; H236-R257 PolarHBondContact ND1-NH2 2.9Å; H236-R287 HydrophobicContact CB-CB 4.34Å
237	I	94	Very high	91.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.2	170.2	-55.4	160.1	0	0	0	107.1	F70 V137 V139 V143 S145 I172 S235	F70-I237 HydrophobicContact CE1-CD1 3.9Å; F70-I237 HydrophobicContact CE1-CG1 4.29Å; F70-I237 HydrophobicContact CE1-CG2 4.26Å; F70-I237 HydrophobicContact CE2-CD1 4.25Å; F70-I237 HydrophobicContact CZ-CD1 3.62Å; F70-I237 HydrophobicContact CZ-CG1 4.39Å; F70-I237 HydrophobicContact CZ-CG2 4.22Å; V137-I237 HydrophobicContact CG1-CG2 4.03Å; V139-I237 HydrophobicContact CG2-CG1 4.36Å; V143-I237 HydrophobicContact CG1-CD1 4.09Å; V143-I237 HydrophobicContact CG1-CG1 3.89Å; S145-I237 WeakPolarHBondContact OG-CD1 3.3Å; I172-I237 HydrophobicContact CB-CB 4.42Å; I172-I237 WeakPolarHBondContact CB-O 3.45Å; I172-I237 HydrophobicContact CD1-CB 4.29Å; I172-I237 HydrophobicContact CD1-CG2 3.82Å; I172-I237 PolarHBondContact N-O 3.47Å; I172-I237 VanDerWaalsContact N-O 3.09Å; S235-I237 PolarHBondContact O-N 3.08Å; S235-I237 VanDerWaalsContact O-N 3.13Å; S235-I237 PolarHBondContact OG-N 3.48Å
238	S	94.5	Very high	91.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.5	-178.2	-57	0	0	0	0	110.5	L138 M169	L138-S238 PolarHBondContact N-O 3.08Å; L138-S238 PolarHBondContact O-N 2.89Å; M169-S238 WeakPolarHBondContact CE-OG 3.19Å
239	I	95	Very high	92	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.6	171.5	-58.6	171.6	0	0	0	106.5	A152 L153 H156 M169 T170 I172	A152-I239 HydrophobicContact CB-CD1 3.81Å; L153-I239 HydrophobicContact CB-CD1 4.09Å; L153-I239 HydrophobicContact CD1-CD1 4.46Å; L153-I239 HydrophobicContact CD1-CG2 3.84Å; H156-I239 HydrophobicContact CB-CG2 4.3Å; M169-I239 CarbonylContact C-O 3.51Å; M169-I239 WeakPolarHBondContact CA-O 3.46Å; T170-I239 PolarHBondContact N-O 2.99Å; T170-I239 PolarHBondContact O-N 3.25Å; I172-I239 HydrophobicContact CD1-CD1 4.31Å; I172-I239 HydrophobicContact CD1-CG1 4.41Å
240	C	94.4	Very high	92	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.3	-173.1	-63.5	0	0	0	0	110.3	D135 F136 V244	D135-C240 WeakPolarHBondContact CA-O 3.24Å; F136-C240 HydrophobicContact CD1-CB 4.07Å; F136-C240 VanDerWaalsContact CD1-O 3.28Å; F136-C240 WeakPolarHBondContact CD1-O 3.35Å; F136-C240 HydrophobicContact CD2-CB 4.38Å; F136-C240 HydrophobicContact CE1-CB 3.61Å; F136-C240 HydrophobicContact CE2-CB 3.91Å; F136-C240 HydrophobicContact CG-CB 4.48Å; F136-C240 HydrophobicContact CZ-CB 3.52Å; F136-C240 PolarHBondContact N-O 3.32Å; F136-C240 PolarHBondContact O-N 2.85Å; C240-V244 HydrophobicContact CB-CB 4.24Å; C240-V244 HydrophobicContact CB-CG2 3.95Å
241	S	93.1	Very high	92	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.			trans	-83.6	158.2	163.9	68.4	0	0	0	0	110.3	F136 V168 Q243 V244	F136-S241 WeakPolarHBondContact CE1-O 3.43Å; V168-S241 WeakPolarHBondContact CA-OG 3.4Å; V168-S241 WeakPolarHBondContact O-CB 3.22Å; V168-S241 PolarHBondContact O-N 3.37Å; V168-S241 PolarHBondContact O-OG 3.24Å; S241-Q243 PolarHBondContact O-N 3.2Å; S241-Q243 VanDerWaalsContact O-N 3.11Å; S241-V244 WeakPolarHBondContact O-CB 3.34Å; S241-V244 PolarHBondContact O-N 3.4Å
242	P	91.6	Very high	91.8	Very high	29 Å²	29	29.4 Å²	29.4	19%	0.188	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.3	175.5	-26.8	34.8	0	0	0	114.3	V132 S134 V244 A245 E246	V132-P242 HydrophobicContact CG1-CG 4.39Å; S134-P242 WeakPolarHBondContact O-CG 3.49Å; P242-V244 PolarHBondContact O-N 3.13Å; P242-V244 VanDerWaalsContact O-N 3.14Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.43Å; P242-E246 PolarHBondContact O-N 3.12Å
243	Q	90.9	Very high	91.8	Very high	51 Å²	51	35.9 Å²	35.9	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-26.1	176.6	-67.5	173.1	-15.2	0	0	112.9	N165 V168 S241 A245 E246 L247	N165-Q243 PolarHBondContact O-OE1 2.89Å; N165-Q243 VanDerWaalsContact O-OE1 3.09Å; V168-Q243 HydrophobicContact CG1-CB 4.49Å; S241-Q243 PolarHBondContact O-N 3.2Å; S241-Q243 VanDerWaalsContact O-N 3.11Å; Q243-A245 VanDerWaalsContact C-N 3.26Å; Q243-A245 PolarHBondContact O-N 2.94Å; Q243-E246 PolarHBondContact O-N 3.1Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 VanDerWaalsContact O-CG 3.23Å; Q243-L247 WeakPolarHBondContact O-CG 3.16Å; Q243-L247 PolarHBondContact O-N 3.35Å
244	V	93	Very high	91.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-44.1	174.4	172.3	0	0	0	0	109.9	L123 V168 M169 C240 S241 P242 L247 F248 F260	L123-V244 HydrophobicContact CD1-CG1 4.44Å; V168-V244 HydrophobicContact CB-CG2 4.25Å; V168-V244 WeakPolarHBondContact O-CG2 3.42Å; M169-V244 HydrophobicContact CB-CG2 4.39Å; C240-V244 HydrophobicContact CB-CB 4.24Å; C240-V244 HydrophobicContact CB-CG2 3.95Å; S241-V244 WeakPolarHBondContact O-CB 3.34Å; S241-V244 PolarHBondContact O-N 3.4Å; P242-V244 PolarHBondContact O-N 3.13Å; P242-V244 VanDerWaalsContact O-N 3.14Å; V244-L247 PolarHBondContact O-N 3.08Å; V244-F248 HydrophobicContact CG1-CD2 3.96Å; V244-F248 HydrophobicContact CG1-CE2 3.9Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.21Å; V244-F248 PolarHBondContact O-N 3.06Å; V244-F248 VanDerWaalsContact O-N 3.13Å; V244-F260 HydrophobicContact CB-CZ 4.19Å; V244-F260 HydrophobicContact CG1-CE1 3.96Å; V244-F260 HydrophobicContact CG1-CE2 4.32Å; V244-F260 HydrophobicContact CG1-CZ 3.68Å; V244-F260 HydrophobicContact CG2-CE1 4.34Å; V244-F260 HydrophobicContact CG2-CZ 4.08Å
245	A	92.9	Very high	91.6	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-41.6	179.6	0	0	0	0	0	111.5	D127 P242 Q243 L247 F248 T249	D127-A245 HydrophobicContact CB-CB 3.86Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.43Å; Q243-A245 VanDerWaalsContact C-N 3.26Å; Q243-A245 PolarHBondContact O-N 2.94Å; A245-L247 PolarHBondContact O-N 3.12Å; A245-F248 PolarHBondContact O-N 3.27Å; A245-T249 PolarHBondContact O-N 2.89Å; A245-T249 VanDerWaalsContact O-N 3.1Å; A245-T249 PolarHBondContact O-OG1 2.86Å
246	E	91.5	Very high	91.7	Very high	96 Å²	96	44.1 Å²	44.1	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-44.1	173.9	-61.4	173.4	-179.5	0	0	111.7	P242 Q243 F248 T249 D250	P242-E246 PolarHBondContact O-N 3.12Å; Q243-E246 PolarHBondContact O-N 3.1Å; E246-F248 VanDerWaalsContact C-N 3.3Å; E246-F248 PolarHBondContact O-N 3.4Å; E246-T249 WeakPolarHBondContact O-CA 3.46Å; E246-T249 WeakPolarHBondContact O-CB 3.3Å; E246-T249 PolarHBondContact O-N 3.09Å; E246-D250 PolarHBondContact O-N 2.92Å
247	L	91.9	Very high	91.7	Very high	13 Å²	13	44 Å²	44	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-30.1	179	-70.8	169.4	0	0	0	113.4	V168 Q243 V244 A245 N251 F260 I264 L271 N273	V168-L247 HydrophobicContact CG1-CD1 4.27Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 VanDerWaalsContact O-CG 3.23Å; Q243-L247 WeakPolarHBondContact O-CG 3.16Å; Q243-L247 PolarHBondContact O-N 3.35Å; V244-L247 PolarHBondContact O-N 3.08Å; A245-L247 PolarHBondContact O-N 3.12Å; L247-N251 WeakPolarHBondContact O-CB 3.3Å; L247-N251 PolarHBondContact O-N 3.08Å; L247-N251 VanDerWaalsContact O-N 3.13Å; L247-N251 PolarHBondContact O-ND2 3.32Å; L247-F260 HydrophobicContact CB-CE2 3.79Å; L247-F260 HydrophobicContact CB-CZ 4.43Å; L247-F260 HydrophobicContact CD1-CE2 4.21Å; L247-F260 HydrophobicContact CD1-CZ 4.13Å; L247-I264 HydrophobicContact CD1-CD1 3.97Å; L247-L271 HydrophobicContact CD2-CD2 4.2Å; L247-N273 WeakPolarHBondContact CD1-ND2 3.27Å
248	F	92.5	Very high	91.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-73	-29.1	171.3	-90.2	-82.4	0	0	0	112.3	G120 L123 R124 V244 A245 E246 N251 Y254 F260	G120-F248 VanDerWaalsContact CA-CD1 3.49Å; L123-F248 HydrophobicContact CB-CB 4.26Å; L123-F248 HydrophobicContact CB-CD2 4.2Å; L123-F248 HydrophobicContact CB-CG 4.2Å; L123-F248 HydrophobicContact CD1-CD2 3.5Å; L123-F248 HydrophobicContact CD1-CE1 4.47Å; L123-F248 HydrophobicContact CD1-CE2 3.36Å; L123-F248 HydrophobicContact CD1-CG 4.16Å; L123-F248 HydrophobicContact CD1-CZ 3.88Å; R124-F248 HydrophobicContact CG-CB 4.38Å; R124-F248 PolarHBondContact NE-O 2.92Å; R124-F248 PolarHBondContact NH2-O 3.12Å; V244-F248 HydrophobicContact CG1-CD2 3.96Å; V244-F248 HydrophobicContact CG1-CE2 3.9Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.21Å; V244-F248 PolarHBondContact O-N 3.06Å; V244-F248 VanDerWaalsContact O-N 3.13Å; A245-F248 PolarHBondContact O-N 3.27Å; E246-F248 VanDerWaalsContact C-N 3.3Å; E246-F248 PolarHBondContact O-N 3.4Å; F248-N251 VanDerWaalsContact O-O 3.1Å; F248-Y254 WeakPolarHBondContact CD1-O 3.49Å; F248-Y254 WeakPolarHBondContact CE1-O 3.41Å; F248-F260 AromaticContact CD2-CD2 3.77Å; F248-F260 HydrophobicContact CD2-CD2 3.77Å; F248-F260 AromaticContact CD2-CE2 3.86Å; F248-F260 HydrophobicContact CD2-CE2 3.86Å; F248-F260 HydrophobicContact CD2-CG 4.37Å; F248-F260 HydrophobicContact CE1-CB 4.14Å; F248-F260 HydrophobicContact CE1-CD2 4.36Å; F248-F260 HydrophobicContact CE2-CB 3.89Å; F248-F260 HydrophobicContact CE2-CD1 4.04Å; F248-F260 AromaticContact CE2-CD2 3.34Å; F248-F260 HydrophobicContact CE2-CD2 3.34Å; F248-F260 HydrophobicContact CE2-CE1 4.38Å; F248-F260 AromaticContact CE2-CE2 3.73Å; F248-F260 HydrophobicContact CE2-CE2 3.73Å; F248-F260 AromaticContact CE2-CG 3.49Å; F248-F260 HydrophobicContact CE2-CG 3.49Å; F248-F260 VanDerWaalsContact CE2-CG 3.49Å; F248-F260 HydrophobicContact CE2-CZ 4.23Å; F248-F260 HydrophobicContact CG-CD2 4.43Å; F248-F260 HydrophobicContact CZ-CB 3.42Å; F248-F260 VanDerWaalsContact CZ-CB 3.42Å; F248-F260 HydrophobicContact CZ-CD1 4.39Å; F248-F260 AromaticContact CZ-CD2 3.7Å; F248-F260 HydrophobicContact CZ-CD2 3.7Å; F248-F260 AromaticContact CZ-CG 3.6Å; F248-F260 HydrophobicContact CZ-CG 3.6Å
249	T	92.3	Very high	91.2	Very high	66 Å²	66	47 Å²	47	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-71.5	-43	172.6	-57.9	0	0	0	0	111.2	D127 A245 E246	D127-T249 PolarHBondContact OD2-OG1 3.08Å; A245-T249 PolarHBondContact O-N 2.89Å; A245-T249 VanDerWaalsContact O-N 3.1Å; A245-T249 PolarHBondContact O-OG1 2.86Å; E246-T249 WeakPolarHBondContact O-CA 3.46Å; E246-T249 WeakPolarHBondContact O-CB 3.3Å; E246-T249 PolarHBondContact O-N 3.09Å
250	D	91.8	Very high	91	Very high	126 Å²	126	47.1 Å²	47.1	67%	0.674	24%	0.241	S	C	*	.	H	α-helix	trans	-68	-36.8	179.2	-74.2	-16.3	0	0	0	112.6	E246	E246-D250 PolarHBondContact O-N 2.92Å
251	N	90.1	Very high	90.9	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.273	24%	0.241	S	C	.	.			trans	-111.6	98.8	-177.8	-58.7	-71	0	0	0	110.9	R124 L247 F248 D253 Y254	R124-N251 PolarHBondContact NH2-O 3.13Å; L247-N251 WeakPolarHBondContact O-CB 3.3Å; L247-N251 PolarHBondContact O-N 3.08Å; L247-N251 VanDerWaalsContact O-N 3.13Å; L247-N251 PolarHBondContact O-ND2 3.32Å; F248-N251 VanDerWaalsContact O-O 3.1Å; N251-D253 PolarHBondContact O-N 3.19Å; N251-Y254 HydrophobicContact CB-CD2 3.42Å; N251-Y254 VanDerWaalsContact CB-CD2 3.42Å; N251-Y254 HydrophobicContact CB-CE1 4.5Å; N251-Y254 HydrophobicContact CB-CE2 3.34Å; N251-Y254 HydrophobicContact CB-CG 4.06Å; N251-Y254 WeakPolarHBondContact ND2-CE2 3.36Å; N251-Y254 PolarHBondContact O-N 3.45Å
252	F	87.9	Confident	90.7	Very high	147 Å²	147	51.6 Å²	51.6	65%	0.645	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.1	-178.4	-168.2	-101.2	0	0	0	113.4	R124 Y254	R124-F252 VanDerWaalsContact NH2-CA 3.31Å; R124-F252 PolarHBondContact NH2-O 3.16Å; F252-Y254 PolarHBondContact O-N 3.42Å
253	D	89.3	Confident	90.5	Very high	137 Å²	137	50.9 Å²	50.9	73%	0.733	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.3	-176.6	-57.9	-26.8	0	0	0	113.2	N251 Q255	N251-D253 PolarHBondContact O-N 3.19Å; D253-Q255 PolarHBondContact O-N 2.84Å; D253-Q255 VanDerWaalsContact O-N 3.1Å
254	Y	90.6	Very high	90.4	Very high	23 Å²	23	48.7 Å²	48.7	9%	0.09	25%	0.245	C	C	.	.			trans	-75.9	101.5	177.7	-60.2	-25	0	0	0	111.2	R124 F248 N251 F252 F260	R124-Y254 PolarHBondContact NH2-O 3.43Å; R124-Y254 VanDerWaalsContact NH2-O 3.12Å; F248-Y254 WeakPolarHBondContact CD1-O 3.49Å; F248-Y254 WeakPolarHBondContact CE1-O 3.41Å; N251-Y254 HydrophobicContact CB-CD2 3.42Å; N251-Y254 VanDerWaalsContact CB-CD2 3.42Å; N251-Y254 HydrophobicContact CB-CE1 4.5Å; N251-Y254 HydrophobicContact CB-CE2 3.34Å; N251-Y254 HydrophobicContact CB-CG 4.06Å; N251-Y254 WeakPolarHBondContact ND2-CE2 3.36Å; N251-Y254 PolarHBondContact O-N 3.45Å; F252-Y254 PolarHBondContact O-N 3.42Å; Y254-F260 AromaticContact CD2-CD2 3.74Å; Y254-F260 HydrophobicContact CD2-CD2 3.74Å; Y254-F260 HydrophobicContact CE2-CD2 4.14Å; Y254-F260 HydrophobicContact CG-CB 4.49Å; Y254-F260 HydrophobicContact CG-CD2 4.45Å
255	Q	88.4	Confident	90.1	Very high	119 Å²	119	49.9 Å²	49.9	56%	0.556	25%	0.251	S	S	*	.			trans	-93	-44.4	178.3	-62.6	-176.3	6.7	0	0	112.4	L119 G120 D253	L119-Q255 PolarHBondContact N-O 3.22Å; G120-Q255 PolarHBondContact N-O 2.88Å; D253-Q255 PolarHBondContact O-N 2.84Å; D253-Q255 VanDerWaalsContact O-N 3.1Å
256	T	89.3	Confident	89.7	Confident	51 Å²	51	55.2 Å²	55.2	31%	0.313	28%	0.284	S	S	.	.	S	Bend	trans	-111.9	166.6	-178.7	75.5	0	0	0	0	112.2	D258 D259 F260	T256-D258 PolarHBondContact O-N 2.89Å; T256-D258 PolarHBondContact OG1-N 3.23Å; T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 2.78Å; T256-D259 VanDerWaalsContact N-OD2 3.1Å; T256-D259 PolarHBondContact O-N 2.8Å; T256-D259 VanDerWaalsContact OG1-CG 3.22Å; T256-D259 PolarHBondContact OG1-N 3.2Å; T256-D259 PolarHBondContact OG1-OD2 3.29Å; T256-F260 PolarHBondContact O-N 3.1Å
257	R	90.3	Very high	89.1	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-34.4	173.2	-175.6	-160.4	61.8	142.3	3.7	111.4	L119 M169 M171 Y203 D234 H236 F260 V261	L119-R257 HydrophobicContact CD2-CB 3.7Å; M169-R257 HydrophobicContact CE-CG 3.82Å; M171-R257 VanDerWaalsContact CE-NH1 3.3Å; Y203-R257 PolarHBondContact OH-NH2 2.89Å; D234-R257 IonicContact OD1-CZ 2.79Å; D234-R257 IonicContact OD1-NH1 2.85Å; D234-R257 PolarHBondContact OD1-NH1 2.84Å; D234-R257 IonicContact OD1-NH2 3.35Å; D234-R257 IonicContact OD2-CZ 3.99Å; D234-R257 VanDerWaalsContact OD2-CZ 3.27Å; D234-R257 IonicContact OD2-NH1 3.07Å; D234-R257 PolarHBondContact OD2-NH1 2.78Å; D234-R257 IonicContact OD2-NH2 2.68Å; D234-R257 PolarHBondContact OD2-NH2 3.46Å; H236-R257 PolarHBondContact CE1-NH2 2.86Å; H236-R257 PolarHBondContact ND1-NH2 2.9Å; R257-F260 WeakPolarHBondContact O-CB 3.41Å; R257-F260 PolarHBondContact O-N 3.3Å; R257-V261 VanDerWaalsContact O-CG2 3.28Å; R257-V261 WeakPolarHBondContact O-CG2 3.34Å; R257-V261 PolarHBondContact O-N 3.46Å
258	D	89.5	Confident	88.1	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-74.9	-35.6	-174.7	-54.8	-21.9	0	0	0	110.9	Y203 K205 T256 F260 V261 R262	Y203-D258 HydrophobicContact CE1-CB 4.15Å; K205-D258 WeakPolarHBondContact CE-OD2 3.43Å; K205-D258 IonicContact NZ-OD2 3.14Å; K205-D258 PolarHBondContact NZ-OD2 3.01Å; T256-D258 PolarHBondContact O-N 2.89Å; T256-D258 PolarHBondContact OG1-N 3.23Å; D258-F260 VanDerWaalsContact C-N 3.35Å; D258-V261 PolarHBondContact O-N 3.11Å; D258-R262 WeakPolarHBondContact O-CG 3.43Å; D258-R262 PolarHBondContact O-N 2.6Å
259	D	89.4	Confident	87	Confident	50 Å²	50	63.4 Å²	63.4	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-43.1	171.6	-55.7	-43.9	0	0	0	111.1	T256 R262 G263	T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 2.78Å; T256-D259 VanDerWaalsContact N-OD2 3.1Å; T256-D259 PolarHBondContact O-N 2.8Å; T256-D259 VanDerWaalsContact OG1-CG 3.22Å; T256-D259 PolarHBondContact OG1-N 3.2Å; T256-D259 PolarHBondContact OG1-OD2 3.29Å; D259-R262 PolarHBondContact O-N 3.05Å; D259-R262 IonicContact OD1-CZ 2.59Å; D259-R262 IonicContact OD1-NH2 3.6Å; D259-R262 PolarHBondContact OD1-NH2 3.33Å; D259-G263 PolarHBondContact O-N 2.91Å
260	F	91.4	Very high	86.1	Confident	1 Å²	1	67 Å²	67	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-46.9	176.4	175.1	-99	0	0	0	112.2	M169 V244 L247 F248 Y254 T256 R257 D258 G263 I264	M169-F260 HydrophobicContact SD-CD1 4.26Å; M169-F260 HydrophobicContact SD-CE1 3.99Å; V244-F260 HydrophobicContact CB-CZ 4.19Å; V244-F260 HydrophobicContact CG1-CE1 3.96Å; V244-F260 HydrophobicContact CG1-CE2 4.32Å; V244-F260 HydrophobicContact CG1-CZ 3.68Å; V244-F260 HydrophobicContact CG2-CE1 4.34Å; V244-F260 HydrophobicContact CG2-CZ 4.08Å; L247-F260 HydrophobicContact CB-CE2 3.79Å; L247-F260 HydrophobicContact CB-CZ 4.43Å; L247-F260 HydrophobicContact CD1-CE2 4.21Å; L247-F260 HydrophobicContact CD1-CZ 4.13Å; F248-F260 AromaticContact CD2-CD2 3.77Å; F248-F260 HydrophobicContact CD2-CD2 3.77Å; F248-F260 AromaticContact CD2-CE2 3.86Å; F248-F260 HydrophobicContact CD2-CE2 3.86Å; F248-F260 HydrophobicContact CD2-CG 4.37Å; F248-F260 HydrophobicContact CE1-CB 4.14Å; F248-F260 HydrophobicContact CE1-CD2 4.36Å; F248-F260 HydrophobicContact CE2-CB 3.89Å; F248-F260 HydrophobicContact CE2-CD1 4.04Å; F248-F260 AromaticContact CE2-CD2 3.34Å; F248-F260 HydrophobicContact CE2-CD2 3.34Å; F248-F260 HydrophobicContact CE2-CE1 4.38Å; F248-F260 AromaticContact CE2-CE2 3.73Å; F248-F260 HydrophobicContact CE2-CE2 3.73Å; F248-F260 AromaticContact CE2-CG 3.49Å; F248-F260 HydrophobicContact CE2-CG 3.49Å; F248-F260 VanDerWaalsContact CE2-CG 3.49Å; F248-F260 HydrophobicContact CE2-CZ 4.23Å; F248-F260 HydrophobicContact CG-CD2 4.43Å; F248-F260 HydrophobicContact CZ-CB 3.42Å; F248-F260 VanDerWaalsContact CZ-CB 3.42Å; F248-F260 HydrophobicContact CZ-CD1 4.39Å; F248-F260 AromaticContact CZ-CD2 3.7Å; F248-F260 HydrophobicContact CZ-CD2 3.7Å; F248-F260 AromaticContact CZ-CG 3.6Å; F248-F260 HydrophobicContact CZ-CG 3.6Å; Y254-F260 AromaticContact CD2-CD2 3.74Å; Y254-F260 HydrophobicContact CD2-CD2 3.74Å; Y254-F260 HydrophobicContact CE2-CD2 4.14Å; Y254-F260 HydrophobicContact CG-CB 4.49Å; Y254-F260 HydrophobicContact CG-CD2 4.45Å; T256-F260 PolarHBondContact O-N 3.1Å; R257-F260 WeakPolarHBondContact O-CB 3.41Å; R257-F260 PolarHBondContact O-N 3.3Å; D258-F260 VanDerWaalsContact C-N 3.35Å; F260-G263 PolarHBondContact O-N 3.32Å; F260-I264 HydrophobicContact CD1-CD1 4.1Å; F260-I264 HydrophobicContact CD2-CD1 4.15Å; F260-I264 HydrophobicContact CE1-CD1 3.45Å; F260-I264 VanDerWaalsContact CE1-CD1 3.45Å; F260-I264 HydrophobicContact CE2-CD1 3.52Å; F260-I264 HydrophobicContact CE2-CG1 4.26Å; F260-I264 HydrophobicContact CG-CD1 4.43Å; F260-I264 HydrophobicContact CZ-CD1 3.13Å; F260-I264 HydrophobicContact CZ-CG1 4.26Å; F260-I264 WeakPolarHBondContact O-CG1 3.41Å; F260-I264 PolarHBondContact O-N 3.26Å
261	V	91.3	Very high	85.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-47.5	177.4	173.7	0	0	0	0	110.1	M169 M171 Y203 R257 D258 G263 I264 L265 I275	M169-V261 HydrophobicContact SD-CG2 4.4Å; M171-V261 HydrophobicContact CE-CG2 4.34Å; M171-V261 HydrophobicContact SD-CG1 4.28Å; M171-V261 HydrophobicContact SD-CG2 3.75Å; Y203-V261 HydrophobicContact CD1-CG1 4.08Å; Y203-V261 HydrophobicContact CG-CG1 3.9Å; R257-V261 VanDerWaalsContact O-CG2 3.28Å; R257-V261 WeakPolarHBondContact O-CG2 3.34Å; R257-V261 PolarHBondContact O-N 3.46Å; D258-V261 PolarHBondContact O-N 3.11Å; V261-G263 PolarHBondContact O-N 2.9Å; V261-I264 PolarHBondContact O-N 3.42Å; V261-L265 HydrophobicContact CG1-CD1 3.85Å; V261-L265 HydrophobicContact CG1-CG 4.46Å; V261-L265 WeakPolarHBondContact O-CG 3.43Å; V261-L265 PolarHBondContact O-N 2.97Å; V261-L265 VanDerWaalsContact O-N 3.1Å; V261-I275 HydrophobicContact CB-CD1 4.2Å; V261-I275 HydrophobicContact CG1-CD1 4.05Å; V261-I275 HydrophobicContact CG2-CD1 4.08Å
262	R	88.4	Confident	84.8	Confident	95 Å²	95	63.9 Å²	63.9	36%	0.358	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-45.1	176.5	-74.3	-172	-67.6	-94.7	5.6	112.3	D258 D259 I264 L265 V266	D258-R262 WeakPolarHBondContact O-CG 3.43Å; D258-R262 PolarHBondContact O-N 2.6Å; D259-R262 PolarHBondContact O-N 3.05Å; D259-R262 IonicContact OD1-CZ 2.59Å; D259-R262 IonicContact OD1-NH2 3.6Å; D259-R262 PolarHBondContact OD1-NH2 3.33Å; R262-I264 PolarHBondContact O-N 2.89Å; R262-L265 PolarHBondContact O-N 3.4Å; R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 2.8Å
263	G	88	Confident	84.7	Confident	13 Å²	13	58 Å²	58	13%	0.134	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-43.1	-179.3	0	0	0	0	0	112.7	D259 F260 V261 N267	D259-G263 PolarHBondContact O-N 2.91Å; F260-G263 PolarHBondContact O-N 3.32Å; V261-G263 PolarHBondContact O-N 2.9Å; G263-N267 VanDerWaalsContact O-CB 3.29Å; G263-N267 WeakPolarHBondContact O-CB 3.31Å; G263-N267 PolarHBondContact O-N 3.19Å; G263-N267 PolarHBondContact O-ND2 2.96Å
264	I	88.3	Confident	84.7	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-41.6	176.4	-71.1	-174	0	0	0	111.8	V168 L247 F260 V261 R262 V266 N267 E268 N273 I275	V168-I264 HydrophobicContact CG2-CD1 4.21Å; L247-I264 HydrophobicContact CD1-CD1 3.97Å; F260-I264 HydrophobicContact CD1-CD1 4.1Å; F260-I264 HydrophobicContact CD2-CD1 4.15Å; F260-I264 HydrophobicContact CE1-CD1 3.45Å; F260-I264 VanDerWaalsContact CE1-CD1 3.45Å; F260-I264 HydrophobicContact CE2-CD1 3.52Å; F260-I264 HydrophobicContact CE2-CG1 4.26Å; F260-I264 HydrophobicContact CG-CD1 4.43Å; F260-I264 HydrophobicContact CZ-CD1 3.13Å; F260-I264 HydrophobicContact CZ-CG1 4.26Å; F260-I264 WeakPolarHBondContact O-CG1 3.41Å; F260-I264 PolarHBondContact O-N 3.26Å; V261-I264 PolarHBondContact O-N 3.42Å; R262-I264 PolarHBondContact O-N 2.89Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 2.97Å; I264-N267 CarbonylContact O-C 3.51Å; I264-N267 PolarHBondContact O-N 3.45Å; I264-E268 PolarHBondContact O-N 3.48Å; I264-E268 VanDerWaalsContact O-N 3.14Å; I264-N273 HydrophobicContact CG2-CB 4.26Å; I264-N273 WeakPolarHBondContact CG2-O 3.24Å; I264-I275 HydrophobicContact CB-CD1 4.01Å; I264-I275 HydrophobicContact CD1-CD1 4.33Å; I264-I275 HydrophobicContact CG2-CD1 3.94Å; I264-I275 HydrophobicContact CG2-CG1 4.04Å
265	L	86.8	Confident	84.8	Confident	26 Å²	26	52.7 Å²	52.7	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-34.4	-179.9	-66.5	173.1	0	0	0	112.3	I200 V261 R262	I200-L265 HydrophobicContact CG2-CD1 3.96Å; I200-L265 HydrophobicContact CG2-CD2 4.36Å; I200-L265 WeakPolarHBondContact O-CD2 3.49Å; V261-L265 HydrophobicContact CG1-CD1 3.85Å; V261-L265 HydrophobicContact CG1-CG 4.46Å; V261-L265 WeakPolarHBondContact O-CG 3.43Å; V261-L265 PolarHBondContact O-N 2.97Å; V261-L265 VanDerWaalsContact O-N 3.1Å; R262-L265 PolarHBondContact O-N 3.4Å
266	V	85.3	Confident	85	Confident	117 Å²	117	47.2 Å²	47.2	71%	0.709	25%	0.25	S	S	*	.	H	α-helix	trans	-73.1	-38	174.7	174.4	0	0	0	0	111.4	R262 I264 E268	R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 2.8Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 2.97Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 3.34Å
267	N	79.1	Confident	85.2	Confident	51 Å²	51	45 Å²	45	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	20.2	-176.4	-65	-24.9	0	0	0	113.9	G263 I264 E269 I270 L271	G263-N267 VanDerWaalsContact O-CB 3.29Å; G263-N267 WeakPolarHBondContact O-CB 3.31Å; G263-N267 PolarHBondContact O-N 3.19Å; G263-N267 PolarHBondContact O-ND2 2.96Å; I264-N267 CarbonylContact O-C 3.51Å; I264-N267 PolarHBondContact O-N 3.45Å; N267-E269 PolarHBondContact O-N 3.47Å; N267-I270 PolarHBondContact O-N 3.47Å; N267-L271 HydrophobicContact CB-CD1 4.3Å; N267-L271 PolarHBondContact O-N 3.39Å
268	E	70.4	Confident	85.3	Confident	56 Å²	56	46.2 Å²	46.2	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-56.5	-36.6	-178	-172.8	175.3	-165.8	0	0	111.6	Q199 I264 V266 I270 G272	Q199-E268 PolarHBondContact NE2-OE1 3Å; I264-E268 PolarHBondContact O-N 3.48Å; I264-E268 VanDerWaalsContact O-N 3.14Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 3.34Å; E268-I270 VanDerWaalsContact C-N 3.25Å; E268-I270 PolarHBondContact O-N 2.78Å; E268-G272 VanDerWaalsContact O-CA 3.29Å; E268-G272 WeakPolarHBondContact O-CA 3.41Å; E268-G272 PolarHBondContact O-N 3.03Å
269	E	68.4	Low	85.5	Confident	176 Å²	176	47 Å²	47	82%	0.822	25%	0.247	S	C	*	.	H	α-helix	trans	-64.6	-26.3	-179.8	-64.5	-173.4	178.5	0	0	113.9	N267	N267-E269 PolarHBondContact O-N 3.47Å
270	I	73.8	Confident	85.5	Confident	141 Å²	141	45.5 Å²	45.5	72%	0.723	24%	0.24	S	C	*	.	H	α-helix	trans	-95.8	-49.2	-172.7	-56.7	173.9	0	0	0	110.7	N267 E268	N267-I270 PolarHBondContact O-N 3.47Å; E268-I270 VanDerWaalsContact C-N 3.25Å; E268-I270 PolarHBondContact O-N 2.78Å
271	L	73.5	Confident	85.3	Confident	78 Å²	78	52 Å²	52	41%	0.408	27%	0.269	S	S	.	.	H	α-helix	trans	-95.3	-25.4	-172.6	-74.7	151.4	0	0	0	112.6	L247 N267 N273	L247-L271 HydrophobicContact CD2-CD2 4.2Å; N267-L271 HydrophobicContact CB-CD1 4.3Å; N267-L271 PolarHBondContact O-N 3.39Å; L271-N273 PolarHBondContact O-N 2.97Å; L271-N273 VanDerWaalsContact O-N 3.16Å
272	G	80.9	Confident	85	Confident	33 Å²	33	58.6 Å²	58.6	34%	0.34	30%	0.304	S	S	.	.			trans	65	10	-177	0	0	0	0	0	114.7	I166 E268	I166-G272 WeakPolarHBondContact CG2-O 3.26Å; E268-G272 VanDerWaalsContact O-CA 3.29Å; E268-G272 WeakPolarHBondContact O-CA 3.41Å; E268-G272 PolarHBondContact O-N 3.03Å
273	N	87.3	Confident	84.8	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.134	30%	0.302	C	S	.	.			trans	-76.6	133.9	-178.4	-70.8	-26.9	0	0	0	111	V168 L247 I264 L271	V168-N273 HydrophobicContact CG1-CB 3.75Å; V168-N273 HydrophobicContact CG2-CB 4.14Å; L247-N273 WeakPolarHBondContact CD1-ND2 3.27Å; I264-N273 HydrophobicContact CG2-CB 4.26Å; I264-N273 WeakPolarHBondContact CG2-O 3.24Å; L271-N273 PolarHBondContact O-N 2.97Å; L271-N273 VanDerWaalsContact O-N 3.16Å
274	Q	88.6	Confident	84.9	Confident	48 Å²	48	55.5 Å²	55.5	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.3	-174.3	-64.4	-176.4	-26.2	0	0	112.7	I166 V168	I166-Q274 HydrophobicContact CG2-CB 4.05Å; I166-Q274 HydrophobicContact CG2-CG 3.69Å; I166-Q274 PolarHBondContact O-N 3.27Å; V168-Q274 PolarHBondContact N-O 3Å; V168-Q274 VanDerWaalsContact N-O 3.12Å
275	I	92.4	Very high	84.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.9	174.3	-56.2	177.6	0	0	0	108.7	V168 M169 M171 I200 V261 I264	V168-I275 HydrophobicContact CG2-CG1 4.07Å; M169-I275 HydrophobicContact CB-CG1 4.39Å; M169-I275 HydrophobicContact CB-CG2 4.25Å; M169-I275 HydrophobicContact CG-CG2 4.49Å; M171-I275 HydrophobicContact CG-CG2 4.2Å; M171-I275 HydrophobicContact SD-CG2 3.98Å; I200-I275 HydrophobicContact CD1-CG2 3.91Å; I200-I275 HydrophobicContact CG1-CG2 4.49Å; I200-I275 PolarHBondContact N-O 2.91Å; V261-I275 HydrophobicContact CB-CD1 4.2Å; V261-I275 HydrophobicContact CG1-CD1 4.05Å; V261-I275 HydrophobicContact CG2-CD1 4.08Å; I264-I275 HydrophobicContact CB-CD1 4.01Å; I264-I275 HydrophobicContact CD1-CD1 4.33Å; I264-I275 HydrophobicContact CG2-CD1 3.94Å; I264-I275 HydrophobicContact CG2-CG1 4.04Å
276	H	92.9	Very high	85.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.019	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	162.7	179.5	-66	70.5	0	0	0	110.7	R159 S167 M169 T170 M171 S197 Q198	R159-H276 VanDerWaalsContact CD-CD2 3.43Å; R159-H276 WeakPolarHBondContact CD-CD2 3.35Å; S167-H276 PolarHBondContact OG-ND1 3.12Å; S167-H276 VanDerWaalsContact OG-ND1 3.07Å; M169-H276 PolarHBondContact O-N 3.49Å; T170-H276 CarbonylContact C-O 3.51Å; T170-H276 VanDerWaalsContact CA-O 3.24Å; T170-H276 WeakPolarHBondContact CA-O 3.28Å; M171-H276 PolarHBondContact N-O 3.38Å; S197-H276 PolarHBondContact O-CD2 2.9Å; Q198-H276 CarbonylContact O-C 3.51Å; Q198-H276 WeakPolarHBondContact O-CA 3.35Å
277	M	93.1	Very high	85.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.7	173.1	59.6	-179	-64	0	0	112.5	M171 F173 V191 M193 Q198 I200 L232 V279	M171-M277 CarbonylContact O-C 3.56Å; M171-M277 VanDerWaalsContact O-CA 3.31Å; M171-M277 WeakPolarHBondContact O-CA 3.14Å; F173-M277 HydrophobicContact CD2-CB 3.95Å; F173-M277 HydrophobicContact CD2-CE 3.78Å; F173-M277 HydrophobicContact CE2-CB 3.99Å; F173-M277 HydrophobicContact CE2-CE 4.25Å; F173-M277 HydrophobicContact CG-CE 4.34Å; V191-M277 HydrophobicContact CG1-SD 4.13Å; M193-M277 HydrophobicContact CB-SD 3.69Å; M193-M277 HydrophobicContact CE-CG 4.28Å; M193-M277 HydrophobicContact CE-SD 3.9Å; M193-M277 HydrophobicContact CG-SD 3.99Å; M193-M277 HydrophobicContact SD-CE 3.9Å; M193-M277 HydrophobicContact SD-CG 4.44Å; M193-M277 HydrophobicContact SD-SD 3.34Å; Q198-M277 HydrophobicContact CB-CG 4.4Å; Q198-M277 WeakPolarHBondContact O-CG 3.29Å; Q198-M277 PolarHBondContact O-N 3.44Å; I200-M277 HydrophobicContact CD1-CB 4.01Å; I200-M277 HydrophobicContact CG1-CB 3.88Å; I200-M277 HydrophobicContact CG1-CG 4.07Å; I200-M277 HydrophobicContact CG1-SD 4.18Å; L232-M277 HydrophobicContact CD1-CE 3.43Å; L232-M277 VanDerWaalsContact CD1-CE 3.43Å; M277-V279 HydrophobicContact CE-CG2 3.33Å
278	H	93.6	Very high	85.9	Confident	34 Å²	34	47 Å²	47	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.4	170.4	-175.3	75	0	0	0	109.1	A152 T170 M171 F173	A152-H278 HydrophobicContact CB-CB 4.08Å; T170-H278 HydrophobicContact CG2-CB 4.22Å; M171-H278 PolarHBondContact O-N 3.28Å; F173-H278 PolarHBondContact N-O 3.47Å
279	V	92.8	Very high	86.6	Confident	30 Å²	30	44.6 Å²	44.6	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.2	178.9	-174.5	0	0	0	0	109.6	F173 E175 L232 M277	F173-V279 WeakPolarHBondContact O-CA 3.38Å; E175-V279 HydrophobicContact CB-CG1 4.21Å; L232-V279 HydrophobicContact CD2-CG1 3.78Å; L232-V279 HydrophobicContact CD2-CG2 3.91Å; M277-V279 HydrophobicContact CE-CG2 3.33Å
280	T	90.1	Very high	87.4	Confident	19 Å²	19	36.4 Å²	36.4	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.1	176.8	-40.5	0	0	0	0	110	I147 F173 K174 E175 D282	I147-T280 HydrophobicContact CG2-CG2 4Å; F173-T280 PolarHBondContact O-N 3.1Å; K174-T280 WeakPolarHBondContact CD-O 3.29Å; E175-T280 PolarHBondContact N-O 2.99Å; T280-D282 WeakPolarHBondContact CG2-O 3.37Å
281	K	87.4	Confident	88	Confident	138 Å²	138	30 Å²	30	60%	0.6	17%	0.165	S	C	*	.	S	Bend	trans	-92	-28.6	174.1	-68.9	-173.8	175.6	-171.6	0	113	K174 E175	K174-K281 PolarHBondContact NZ-O 3.42Å; E175-K281 HydrophobicContact CB-CG 4.48Å; E175-K281 WeakPolarHBondContact OE2-CE 3.49Å; E175-K281 IonicContact OE2-NZ 3.2Å
282	D	84.9	Confident	88.7	Confident	138 Å²	138	29.2 Å²	29.2	74%	0.738	16%	0.161	S	C	*	.	S	Bend	trans	-104	148.3	-179.5	-62.3	-39.8	0	0	0	110.7	T280	T280-D282 WeakPolarHBondContact CG2-O 3.37Å
283	G	83.7	Confident	89.1	Confident	31 Å²	31	27.8 Å²	27.8	32%	0.32	15%	0.146	S	C	.	.	S	Bend	trans	84.1	169.5	-173.6	0	0	0	0	0	113.8	N146 K174	N146-G283 WeakPolarHBondContact OD1-CA 3.36Å; K174-G283 WeakPolarHBondContact CD-O 3.38Å; K174-G283 WeakPolarHBondContact CE-O 3.33Å; K174-G283 PolarHBondContact NZ-O 3.45Å
284	Y	89.6	Confident	89.2	Confident	12 Å²	12	26.8 Å²	26.8	5%	0.047	14%	0.14	C	C	.	.			trans	-124	135.2	-174.4	-172.6	-87.9	0	0	0	107.6	S145 N146 V286 D300 W305 F306	S145-Y284 CarbonylContact C-O 3.6Å; S145-Y284 WeakPolarHBondContact CA-O 2.97Å; S145-Y284 PolarHBondContact OG-O 3.39Å; N146-Y284 PolarHBondContact N-O 3.12Å; N146-Y284 PolarHBondContact OD1-N 3.49Å; N146-Y284 PolarHBondContact OD1-O 2.82Å; N146-Y284 VanDerWaalsContact OD1-O 3.1Å; Y284-V286 HydrophobicContact CD1-CG2 4.06Å; Y284-V286 HydrophobicContact CE1-CB 3.81Å; Y284-V286 HydrophobicContact CE1-CG2 3.4Å; Y284-V286 VanDerWaalsContact CE1-CG2 3.4Å; Y284-V286 HydrophobicContact CE2-CG2 4.04Å; Y284-V286 VanDerWaalsContact CZ-CG2 3.44Å; Y284-D300 HydrophobicContact CE2-CB 4.14Å; Y284-D300 WeakPolarHBondContact CE2-OD2 3.47Å; Y284-D300 PolarHBondContact OH-OD2 2.93Å; Y284-W305 HydrophobicContact CD2-CB 4.21Å; Y284-W305 AromaticContact CD2-CE3 3.93Å; Y284-W305 HydrophobicContact CD2-CE3 3.93Å; Y284-W305 HydrophobicContact CE2-CB 4.47Å; Y284-W305 HydrophobicContact CE2-CE3 4.02Å; Y284-F306 AromaticContact CD1-CD1 3.8Å; Y284-F306 HydrophobicContact CD1-CD1 3.8Å; Y284-F306 AromaticContact CD1-CE1 3.24Å; Y284-F306 HydrophobicContact CD1-CE1 3.24Å; Y284-F306 HydrophobicContact CD1-CE2 4.35Å; Y284-F306 AromaticContact CD1-CZ 3.61Å; Y284-F306 HydrophobicContact CD1-CZ 3.61Å; Y284-F306 HydrophobicContact CE1-CD1 4.14Å; Y284-F306 AromaticContact CE1-CE1 3.14Å; Y284-F306 HydrophobicContact CE1-CE1 3.14Å; Y284-F306 AromaticContact CE1-CE2 3.98Å; Y284-F306 HydrophobicContact CE1-CE2 3.98Å; Y284-F306 AromaticContact CE1-CZ 3.08Å; Y284-F306 HydrophobicContact CE1-CZ 3.08Å; Y284-F306 HydrophobicContact CE2-CZ 4.46Å; Y284-F306 HydrophobicContact CG-CE1 4.26Å; Y284-F306 HydrophobicContact CG-CZ 4.48Å; Y284-F306 AromaticContact CZ-CZ 3.56Å
285	G	89	Confident	89.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	108.9	177.6	0	0	0	0	0	109.4	V144	V144-G285 WeakPolarHBondContact O-CA 3.5Å
286	V	90.3	Very high	89.2	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.2	-175.8	-173.1	0	0	0	0	109.2	V144 L233 Y284 V297	V144-V286 PolarHBondContact N-O 3Å; V144-V286 PolarHBondContact O-N 3.4Å; L233-V286 HydrophobicContact CD2-CG2 3.62Å; Y284-V286 HydrophobicContact CD1-CG2 4.06Å; Y284-V286 HydrophobicContact CE1-CB 3.81Å; Y284-V286 HydrophobicContact CE1-CG2 3.4Å; Y284-V286 VanDerWaalsContact CE1-CG2 3.4Å; Y284-V286 HydrophobicContact CE2-CG2 4.04Å; Y284-V286 VanDerWaalsContact CZ-CG2 3.44Å; V286-V297 HydrophobicContact CB-CG2 4.17Å; V286-V297 HydrophobicContact CG1-CG2 3.89Å
287	R	90.4	Very high	89.2	Confident	20 Å²	20	25.2 Å²	25.2	8%	0.075	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.6	171.2	-175.2	-178.3	175.9	-150	6.4	110.3	D142 V143 H236 S289	D142-R287 IonicContact OD1-NE 2.73Å; D142-R287 PolarHBondContact OD1-NE 3.4Å; D142-R287 WeakPolarHBondContact OD2-CG 3.48Å; D142-R287 IonicContact OD2-CZ 3.34Å; D142-R287 IonicContact OD2-NE 3.27Å; D142-R287 PolarHBondContact OD2-NE 3.28Å; D142-R287 VanDerWaalsContact OD2-NE 3.08Å; D142-R287 IonicContact OD2-NH2 2.79Å; V143-R287 HydrophobicContact CG2-CB 4.13Å; V143-R287 HydrophobicContact CG2-CG 4.11Å; H236-R287 HydrophobicContact CB-CB 4.34Å; R287-S289 PolarHBondContact O-N 3.1Å
288	V	90.1	Very high	89.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.			trans	-88.3	93.6	176.8	-176.1	0	0	0	0	110.7	F44 M63 D142 Y294 V297	F44-V288 HydrophobicContact CZ-CG1 3.88Å; M63-V288 HydrophobicContact SD-CB 3.88Å; M63-V288 HydrophobicContact SD-CG1 4.22Å; M63-V288 HydrophobicContact SD-CG2 3.78Å; D142-V288 PolarHBondContact O-N 3.48Å; V288-Y294 HydrophobicContact CG1-CD2 4.13Å; V288-Y294 HydrophobicContact CG1-CG 4.41Å; V288-V297 HydrophobicContact CG2-CB 4.33Å; V288-V297 HydrophobicContact CG2-CG1 4.18Å; V288-V297 HydrophobicContact CG2-CG2 4.16Å
289	S	85	Confident	88.9	Confident	4 Å²	4	23.8 Å²	23.8	3%	0.028	13%	0.128	C	C	.	.			trans	-85.8	-44.3	178.2	54.4	0	0	0	0	114.1	F44 R53 D187 R287 M293	F44-S289 WeakPolarHBondContact CE2-O 3.32Å; R53-S289 PolarHBondContact NH1-O 3.16Å; D187-S289 WeakPolarHBondContact OD2-CB 3.29Å; D187-S289 PolarHBondContact OD2-OG 2.97Å; R287-S289 PolarHBondContact O-N 3.1Å; S289-M293 WeakPolarHBondContact OG-CG 3.47Å
290	N	86.9	Confident	88.9	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.027	12%	0.12	C	C	.	.	S	Bend	trans	-129.7	169.8	-174.6	-64.6	-2.3	0	0	0	111.5	R43 E186 L292 M293 Y294	R43-N290 WeakPolarHBondContact CD-OD1 3.35Å; R43-N290 PolarHBondContact NH1-ND2 2.83Å; R43-N290 PolarHBondContact NH1-OD1 3.1Å; E186-N290 PolarHBondContact OE2-ND2 3.18Å; N290-L292 VanDerWaalsContact C-N 3.27Å; N290-L292 PolarHBondContact O-N 3.03Å; N290-M293 WeakPolarHBondContact O-CB 3.49Å; N290-M293 PolarHBondContact O-N 3.39Å; N290-M293 VanDerWaalsContact O-N 3.13Å; N290-Y294 PolarHBondContact O-N 2.97Å
291	L	86	Confident	88.9	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-29.4	174.8	-73.6	-170.6	0	0	0	114.1	F44 M293 Y294 D295 V400 V418 L503 W504	F44-L291 HydrophobicContact CD1-CD2 4.08Å; F44-L291 HydrophobicContact CE1-CD2 3.53Å; F44-L291 HydrophobicContact CE1-CG 4.37Å; F44-L291 HydrophobicContact CZ-CD2 4.33Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 2.96Å; L291-Y294 HydrophobicContact CD2-CD1 4.46Å; L291-Y294 WeakPolarHBondContact O-CB 3.27Å; L291-Y294 PolarHBondContact O-N 3.35Å; L291-D295 WeakPolarHBondContact O-CB 3.41Å; L291-D295 PolarHBondContact O-N 3.3Å; L291-V400 HydrophobicContact CD1-CG2 4.31Å; L291-V400 HydrophobicContact CD2-CG2 4.36Å; L291-V418 HydrophobicContact CD1-CG2 3.37Å; L291-L503 WeakPolarHBondContact CB-O 3.34Å; L291-L503 HydrophobicContact CD1-CB 4.48Å; L291-L503 HydrophobicContact CD1-CD1 4.15Å; L291-L503 HydrophobicContact CD1-CD2 3.66Å; L291-L503 HydrophobicContact CD1-CG 3.42Å; L291-L503 VanDerWaalsContact CD1-CG 3.42Å; L291-L503 HydrophobicContact CG-CD1 4.03Å; L291-L503 HydrophobicContact CG-CD2 4.43Å; L291-L503 HydrophobicContact CG-CG 3.77Å; L291-L503 WeakPolarHBondContact CG-O 3.3Å; L291-L503 PolarHBondContact N-O 3.48Å; L291-L503 VanDerWaalsContact N-O 3.16Å; L291-W504 HydrophobicContact CB-CD2 3.66Å; L291-W504 HydrophobicContact CB-CE3 3.64Å; L291-W504 HydrophobicContact CB-CG 4.22Å; L291-W504 HydrophobicContact CB-CH2 4.25Å; L291-W504 HydrophobicContact CB-CZ2 4.26Å; L291-W504 HydrophobicContact CB-CZ3 3.95Å; L291-W504 HydrophobicContact CD1-CD2 4.07Å; L291-W504 HydrophobicContact CD1-CG 4.46Å; L291-W504 HydrophobicContact CD1-CH2 4.48Å; L291-W504 HydrophobicContact CD1-CZ2 3.81Å
292	L	87.6	Confident	89	Confident	62 Å²	62	15.1 Å²	15.1	33%	0.325	9%	0.087	S	C	.	.	H	α-helix	trans	-63.2	-40.6	173	-178.2	66.9	0	0	0	111.8	N290 Y294 S296	N290-L292 VanDerWaalsContact C-N 3.27Å; N290-L292 PolarHBondContact O-N 3.03Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; L292-S296 WeakPolarHBondContact O-CB 3.31Å; L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 PolarHBondContact O-OG 3.28Å
293	M	88.7	Confident	89.2	Confident	3 Å²	3	12.2 Å²	12.2	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-67.7	-39.4	173.8	-67.7	-62.3	-131.6	0	0	110.4	S182 C184 D187 S289 N290 L291 S296 V297	S182-M293 WeakPolarHBondContact O-CE 3.35Å; S182-M293 VanDerWaalsContact O-SD 3.34Å; C184-M293 HydrophobicContact CB-CE 4.09Å; C184-M293 HydrophobicContact CB-CG 4.3Å; C184-M293 HydrophobicContact CB-SD 4.09Å; D187-M293 HydrophobicContact CB-CE 4.41Å; S289-M293 WeakPolarHBondContact OG-CG 3.47Å; N290-M293 WeakPolarHBondContact O-CB 3.49Å; N290-M293 PolarHBondContact O-N 3.39Å; N290-M293 VanDerWaalsContact O-N 3.13Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 2.96Å; M293-S296 PolarHBondContact O-N 3.18Å; M293-V297 VanDerWaalsContact O-CB 3.29Å; M293-V297 WeakPolarHBondContact O-CB 3.49Å; M293-V297 WeakPolarHBondContact O-CG2 3.44Å; M293-V297 PolarHBondContact O-N 2.94Å
294	Y	91	Very high	89.5	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-44.5	175.5	179.4	-94	0	0	0	112.3	P57 L58 V288 N290 L291 L292 S298 Y383 W385	P57-Y294 PolarHBondContact O-OH 3.38Å; L58-Y294 HydrophobicContact CD1-CE2 4.28Å; V288-Y294 HydrophobicContact CG1-CD2 4.13Å; V288-Y294 HydrophobicContact CG1-CG 4.41Å; N290-Y294 PolarHBondContact O-N 2.97Å; L291-Y294 HydrophobicContact CD2-CD1 4.46Å; L291-Y294 WeakPolarHBondContact O-CB 3.27Å; L291-Y294 PolarHBondContact O-N 3.35Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; Y294-S298 WeakPolarHBondContact O-CB 3.45Å; Y294-S298 PolarHBondContact O-N 2.89Å; Y294-S298 PolarHBondContact O-OG 2.96Å; Y294-Y383 HydrophobicContact CE1-CD1 4.27Å; Y294-Y383 HydrophobicContact CE1-CD2 4.34Å; Y294-Y383 AromaticContact CE1-CG 3.97Å; Y294-Y383 HydrophobicContact CE1-CG 3.97Å; Y294-W385 PolarHBondContact OH-NE1 3.45Å; Y294-W385 VanDerWaalsContact OH-NE1 3.16Å
295	D	90.9	Very high	89.5	Confident	12 Å²	12	19.3 Å²	19.3	6%	0.064	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-48.7	173.1	174.4	2.1	0	0	0	110.9	L291 S298 S299 Y383 Q398 W504	L291-D295 WeakPolarHBondContact O-CB 3.41Å; L291-D295 PolarHBondContact O-N 3.3Å; D295-S298 PolarHBondContact O-N 3.18Å; D295-S299 VanDerWaalsContact O-CB 3.3Å; D295-S299 WeakPolarHBondContact O-CB 3.28Å; D295-S299 PolarHBondContact O-N 3.23Å; D295-S299 PolarHBondContact O-OG 3.4Å; D295-S299 VanDerWaalsContact O-OG 3.09Å; D295-S299 PolarHBondContact OD1-OG 2.87Å; D295-Y383 WeakPolarHBondContact CA-OH 3.4Å; D295-Y383 HydrophobicContact CB-CE2 3.82Å; D295-Y383 PolarHBondContact O-OH 3.33Å; D295-Y383 PolarHBondContact OD1-OH 2.94Å; D295-Q398 PolarHBondContact OD2-NE2 3Å; D295-Q398 VanDerWaalsContact OD2-NE2 3.07Å; D295-W504 HydrophobicContact CB-CZ3 4.19Å
296	S	89.8	Confident	89.3	Confident	8 Å²	8	19.3 Å²	19.3	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-49.9	-179.7	-62.9	0	0	0	0	112.7	R181 L292 M293 S298 S299 D300	R181-S296 PolarHBondContact O-OG 2.86Å; L292-S296 WeakPolarHBondContact O-CB 3.31Å; L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 PolarHBondContact O-OG 3.28Å; M293-S296 PolarHBondContact O-N 3.18Å; S296-S298 VanDerWaalsContact C-N 3.34Å; S296-S298 PolarHBondContact O-N 2.96Å; S296-S299 PolarHBondContact O-N 3.46Å; S296-D300 WeakPolarHBondContact O-CB 3.47Å; S296-D300 PolarHBondContact O-N 2.94Å
297	V	91.7	Very high	89.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-41.9	177.4	169.9	0	0	0	0	110.5	L58 V144 V286 V288 M293 D300 F301 F306	L58-V297 HydrophobicContact CD1-CG1 4.05Å; L58-V297 HydrophobicContact CD2-CG1 3.76Å; V144-V297 HydrophobicContact CG2-CG1 4.38Å; V286-V297 HydrophobicContact CB-CG2 4.17Å; V286-V297 HydrophobicContact CG1-CG2 3.89Å; V288-V297 HydrophobicContact CG2-CB 4.33Å; V288-V297 HydrophobicContact CG2-CG1 4.18Å; V288-V297 HydrophobicContact CG2-CG2 4.16Å; M293-V297 VanDerWaalsContact O-CB 3.29Å; M293-V297 WeakPolarHBondContact O-CB 3.49Å; M293-V297 WeakPolarHBondContact O-CG2 3.44Å; M293-V297 PolarHBondContact O-N 2.94Å; V297-D300 PolarHBondContact O-N 3.41Å; V297-F301 VanDerWaalsContact O-CB 3.29Å; V297-F301 WeakPolarHBondContact O-CB 3.4Å; V297-F301 PolarHBondContact O-N 3.01Å; V297-F306 HydrophobicContact CG1-CE1 4.33Å; V297-F306 HydrophobicContact CG1-CZ 3.73Å; V297-F306 WeakPolarHBondContact O-CE2 3.19Å
298	S	91.8	Very high	88.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.3	-64	0	0	0	0	112.5	L58 Y294 D295 S296 F301 V302	L58-S298 WeakPolarHBondContact CD1-OG 2.99Å; Y294-S298 WeakPolarHBondContact O-CB 3.45Å; Y294-S298 PolarHBondContact O-N 2.89Å; Y294-S298 PolarHBondContact O-OG 2.96Å; D295-S298 PolarHBondContact O-N 3.18Å; S296-S298 VanDerWaalsContact C-N 3.34Å; S296-S298 PolarHBondContact O-N 2.96Å; S298-F301 WeakPolarHBondContact O-CB 3.37Å; S298-F301 PolarHBondContact O-N 3.31Å; S298-V302 WeakPolarHBondContact O-CG2 3.39Å; S298-V302 PolarHBondContact O-N 3.3Å
299	S	90.1	Very high	88.6	Confident	7 Å²	7	30.1 Å²	30.1	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-44.1	175.9	-74	0	0	0	0	111.8	D295 S296 F301 V302 R303 Y383	D295-S299 VanDerWaalsContact O-CB 3.3Å; D295-S299 WeakPolarHBondContact O-CB 3.28Å; D295-S299 PolarHBondContact O-N 3.23Å; D295-S299 PolarHBondContact O-OG 3.4Å; D295-S299 VanDerWaalsContact O-OG 3.09Å; D295-S299 PolarHBondContact OD1-OG 2.87Å; S296-S299 PolarHBondContact O-N 3.46Å; S299-F301 PolarHBondContact O-N 3.02Å; S299-V302 PolarHBondContact O-N 3.41Å; S299-R303 WeakPolarHBondContact O-CB 3.13Å; S299-R303 WeakPolarHBondContact O-CD 3.3Å; S299-R303 WeakPolarHBondContact O-CG 3.4Å; S299-R303 PolarHBondContact O-N 2.79Å; S299-Y383 PolarHBondContact OG-OH 3.35Å
300	D	91.3	Very high	88.6	Confident	1 Å²	1	30 Å²	30	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-31.8	176.4	-69.1	-12.8	0	0	0	110.9	Y284 S296 V297 R303 R304 W305 F306	Y284-D300 HydrophobicContact CE2-CB 4.14Å; Y284-D300 WeakPolarHBondContact CE2-OD2 3.47Å; Y284-D300 PolarHBondContact OH-OD2 2.93Å; S296-D300 WeakPolarHBondContact O-CB 3.47Å; S296-D300 PolarHBondContact O-N 2.94Å; V297-D300 PolarHBondContact O-N 3.41Å; D300-R303 CarbonylContact O-C 3.53Å; D300-R303 PolarHBondContact O-N 2.73Å; D300-R304 PolarHBondContact O-N 2.81Å; D300-W305 HydrophobicContact CB-CB 4.1Å; D300-W305 HydrophobicContact CB-CG 4.16Å; D300-W305 PolarHBondContact O-N 3.14Å; D300-F306 HydrophobicContact CB-CE2 3.64Å; D300-F306 HydrophobicContact CB-CZ 4.32Å
301	F	90.1	Very high	88.4	Confident	1 Å²	1	30.5 Å²	30.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-50.2	-179.9	177	-106.7	0	0	0	111.4	Y66 V297 S298 S299 R303 R304 F306 P311 L349	Y66-F301 HydrophobicContact CE1-CD2 4.33Å; Y66-F301 AromaticContact CE1-CE2 3.68Å; Y66-F301 HydrophobicContact CE1-CE2 3.68Å; Y66-F301 HydrophobicContact CE1-CZ 4.21Å; Y66-F301 AromaticContact CZ-CE2 3.95Å; Y66-F301 WeakPolarHBondContact OH-CE2 3.4Å; Y66-F301 WeakPolarHBondContact OH-CZ 3.36Å; V297-F301 VanDerWaalsContact O-CB 3.29Å; V297-F301 WeakPolarHBondContact O-CB 3.4Å; V297-F301 PolarHBondContact O-N 3.01Å; S298-F301 WeakPolarHBondContact O-CB 3.37Å; S298-F301 PolarHBondContact O-N 3.31Å; S299-F301 PolarHBondContact O-N 3.02Å; F301-R303 PolarHBondContact O-N 3.41Å; F301-R304 PolarHBondContact O-N 2.91Å; F301-R304 VanDerWaalsContact O-N 3.07Å; F301-F306 HydrophobicContact CB-CD2 3.84Å; F301-F306 HydrophobicContact CB-CE2 3.67Å; F301-F306 HydrophobicContact CB-CZ 4.43Å; F301-F306 HydrophobicContact CD2-CB 4.34Å; F301-F306 HydrophobicContact CD2-CD2 4.02Å; F301-F306 HydrophobicContact CD2-CG 4.14Å; F301-F306 HydrophobicContact CG-CD2 4.44Å; F301-P311 HydrophobicContact CD1-CG 4.5Å; F301-P311 HydrophobicContact CE1-CG 3.5Å; F301-P311 VanDerWaalsContact CE1-CG 3.5Å; F301-P311 HydrophobicContact CE2-CG 4.42Å; F301-P311 HydrophobicContact CZ-CB 4.41Å; F301-P311 VanDerWaalsContact CZ-CD 3.47Å; F301-P311 HydrophobicContact CZ-CG 3.46Å; F301-P311 VanDerWaalsContact CZ-CG 3.46Å; F301-L349 HydrophobicContact CE1-CD1 3.98Å
302	V	90	Very high	88.1	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-34.2	175.8	-179.7	0	0	0	0	111.2	S298 S299 R304 N329 Y331 N347 I366	S298-V302 WeakPolarHBondContact O-CG2 3.39Å; S298-V302 PolarHBondContact O-N 3.3Å; S299-V302 PolarHBondContact O-N 3.41Å; V302-R304 PolarHBondContact O-N 3.14Å; V302-N329 HydrophobicContact CG1-CB 4.3Å; V302-Y331 HydrophobicContact CG1-CD2 4.23Å; V302-Y331 HydrophobicContact CG1-CE2 3.83Å; V302-Y331 WeakPolarHBondContact O-CE2 3.46Å; V302-Y331 PolarHBondContact O-OH 3.16Å; V302-N347 HydrophobicContact CB-CB 4.48Å; V302-N347 VanDerWaalsContact CG1-C 3.46Å; V302-N347 VanDerWaalsContact CG1-CA 3.42Å; V302-N347 HydrophobicContact CG1-CB 3.61Å; V302-I366 HydrophobicContact CG2-CD1 3.8Å; V302-I366 HydrophobicContact CG2-CG1 3.83Å
303	R	90.3	Very high	87.8	Confident	77 Å²	77	33.9 Å²	33.9	29%	0.291	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.4	178	-67.6	170.1	-177.8	-167.8	-0.1	114.7	R181 S299 D300 F301 W305	R181-R303 VanDerWaalsContact NH1-NH1 3.19Å; S299-R303 WeakPolarHBondContact O-CB 3.13Å; S299-R303 WeakPolarHBondContact O-CD 3.3Å; S299-R303 WeakPolarHBondContact O-CG 3.4Å; S299-R303 PolarHBondContact O-N 2.79Å; D300-R303 CarbonylContact O-C 3.53Å; D300-R303 PolarHBondContact O-N 2.73Å; F301-R303 PolarHBondContact O-N 3.41Å; R303-W305 PolarHBondContact O-N 2.82Å
304	R	90	Very high	87.4	Confident	62 Å²	62	35.8 Å²	35.8	23%	0.234	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	26.5	177.6	-53.7	178.9	168.2	-131.7	-9.4	115.5	D300 F301 V302 F306 Y307 T310 E312 Y325 Y331	D300-R304 PolarHBondContact O-N 2.81Å; F301-R304 PolarHBondContact O-N 2.91Å; F301-R304 VanDerWaalsContact O-N 3.07Å; V302-R304 PolarHBondContact O-N 3.14Å; R304-F306 PolarHBondContact O-N 3.12Å; R304-Y307 PolarHBondContact O-N 3.21Å; R304-T310 HydrophobicContact CG-CG2 4.42Å; R304-E312 IonicContact CZ-OE1 3.21Å; R304-E312 IonicContact CZ-OE2 3.83Å; R304-E312 IonicContact NH1-OE1 2.9Å; R304-E312 PolarHBondContact NH1-OE1 3.47Å; R304-E312 IonicContact NH2-OE1 2.88Å; R304-E312 PolarHBondContact NH2-OE1 3.38Å; R304-E312 IonicContact NH2-OE2 2.79Å; R304-E312 PolarHBondContact NH2-OE2 2.98Å; R304-Y325 VanDerWaalsContact NE-CE2 3.3Å; R304-Y331 WeakPolarHBondContact CG-OH 3.27Å; R304-Y331 PolarHBondContact NE-OH 3.19Å
305	W	88.8	Confident	86.9	Confident	130 Å²	130	36.5 Å²	36.5	49%	0.492	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.7	172.5	-75.2	49.8	0	0	0	112.2	H180 Y284 D300 R303	H180-W305 AromaticContact NE2-CH2 3.77Å; Y284-W305 HydrophobicContact CD2-CB 4.21Å; Y284-W305 AromaticContact CD2-CE3 3.93Å; Y284-W305 HydrophobicContact CD2-CE3 3.93Å; Y284-W305 HydrophobicContact CE2-CB 4.47Å; Y284-W305 HydrophobicContact CE2-CE3 4.02Å; D300-W305 HydrophobicContact CB-CB 4.1Å; D300-W305 HydrophobicContact CB-CG 4.16Å; D300-W305 PolarHBondContact O-N 3.14Å; R303-W305 PolarHBondContact O-N 2.82Å
306	F	84.1	Confident	86	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.8	-177.3	-62.5	-95	0	0	0	114.4	V144 Y284 V297 D300 F301 R304 L309	V144-F306 HydrophobicContact CB-CD1 4.47Å; V144-F306 HydrophobicContact CB-CE1 3.82Å; V144-F306 HydrophobicContact CG1-CD1 3.42Å; V144-F306 VanDerWaalsContact CG1-CD1 3.42Å; V144-F306 HydrophobicContact CG1-CE1 3.19Å; V144-F306 HydrophobicContact CG1-CZ 4.29Å; Y284-F306 AromaticContact CD1-CD1 3.8Å; Y284-F306 HydrophobicContact CD1-CD1 3.8Å; Y284-F306 AromaticContact CD1-CE1 3.24Å; Y284-F306 HydrophobicContact CD1-CE1 3.24Å; Y284-F306 HydrophobicContact CD1-CE2 4.35Å; Y284-F306 AromaticContact CD1-CZ 3.61Å; Y284-F306 HydrophobicContact CD1-CZ 3.61Å; Y284-F306 HydrophobicContact CE1-CD1 4.14Å; Y284-F306 AromaticContact CE1-CE1 3.14Å; Y284-F306 HydrophobicContact CE1-CE1 3.14Å; Y284-F306 AromaticContact CE1-CE2 3.98Å; Y284-F306 HydrophobicContact CE1-CE2 3.98Å; Y284-F306 AromaticContact CE1-CZ 3.08Å; Y284-F306 HydrophobicContact CE1-CZ 3.08Å; Y284-F306 HydrophobicContact CE2-CZ 4.46Å; Y284-F306 HydrophobicContact CG-CE1 4.26Å; Y284-F306 HydrophobicContact CG-CZ 4.48Å; Y284-F306 AromaticContact CZ-CZ 3.56Å; V297-F306 HydrophobicContact CG1-CE1 4.33Å; V297-F306 HydrophobicContact CG1-CZ 3.73Å; V297-F306 WeakPolarHBondContact O-CE2 3.19Å; D300-F306 HydrophobicContact CB-CE2 3.64Å; D300-F306 HydrophobicContact CB-CZ 4.32Å; F301-F306 HydrophobicContact CB-CD2 3.84Å; F301-F306 HydrophobicContact CB-CE2 3.67Å; F301-F306 HydrophobicContact CB-CZ 4.43Å; F301-F306 HydrophobicContact CD2-CB 4.34Å; F301-F306 HydrophobicContact CD2-CD2 4.02Å; F301-F306 HydrophobicContact CD2-CG 4.14Å; F301-F306 HydrophobicContact CG-CD2 4.44Å; R304-F306 PolarHBondContact O-N 3.12Å; F306-L309 HydrophobicContact CB-CB 4.3Å; F306-L309 WeakPolarHBondContact CB-O 3.43Å; F306-L309 WeakPolarHBondContact O-CA 3.43Å; F306-L309 WeakPolarHBondContact O-CB 3.32Å; F306-L309 PolarHBondContact O-N 3.42Å
307	Y	86.5	Confident	85	Confident	160 Å²	160	40.5 Å²	40.5	63%	0.627	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	126.7	-178.7	-177.7	-90.6	0	0	0	111	N146 R304 T310	N146-Y307 PolarHBondContact ND2-O 3.41Å; R304-Y307 PolarHBondContact O-N 3.21Å; Y307-T310 HydrophobicContact CD2-CG2 4.32Å
308	P	85.9	Confident	83.8	Confident	77 Å²	77	43.7 Å²	43.7	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.3	-3	18.1	35.4	-36.4	0	0	0	116.5	T310	P308-T310 PolarHBondContact O-N 3.47Å
309	L	85.1	Confident	82.2	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	25%	0.254	C	S	.	.			trans	-74.3	86.4	179.2	-55.9	176.6	0	0	0	110.2	E69 F306	E69-L309 HydrophobicContact CB-CD2 4.16Å; E69-L309 HydrophobicContact CG-CD2 3.38Å; F306-L309 HydrophobicContact CB-CB 4.3Å; F306-L309 WeakPolarHBondContact CB-O 3.43Å; F306-L309 WeakPolarHBondContact O-CA 3.43Å; F306-L309 WeakPolarHBondContact O-CB 3.32Å; F306-L309 PolarHBondContact O-N 3.42Å
310	T	84.6	Confident	80.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.			trans	-122.5	153.3	-179.8	56.4	0	0	0	0	111.2	R304 Y307 P308 E312 S313	R304-T310 HydrophobicContact CG-CG2 4.42Å; Y307-T310 HydrophobicContact CD2-CG2 4.32Å; P308-T310 PolarHBondContact O-N 3.47Å; T310-E312 PolarHBondContact O-N 3.05Å; T310-E312 WeakPolarHBondContact OG1-CG 3.48Å; T310-S313 PolarHBondContact O-N 2.96Å; T310-S313 VanDerWaalsContact O-N 3.12Å; T310-S313 PolarHBondContact OG1-OG 2.98Å
311	P	81.3	Confident	79.6	Confident	15 Å²	15	58.8 Å²	58.8	10%	0.097	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.8	178.9	-21.6	27.2	0	0	0	113.7	F301 S313 N314 C323 Y331 L349	F301-P311 HydrophobicContact CD1-CG 4.5Å; F301-P311 HydrophobicContact CE1-CG 3.5Å; F301-P311 VanDerWaalsContact CE1-CG 3.5Å; F301-P311 HydrophobicContact CE2-CG 4.42Å; F301-P311 HydrophobicContact CZ-CB 4.41Å; F301-P311 VanDerWaalsContact CZ-CD 3.47Å; F301-P311 HydrophobicContact CZ-CG 3.46Å; F301-P311 VanDerWaalsContact CZ-CG 3.46Å; P311-S313 VanDerWaalsContact C-N 3.28Å; P311-S313 PolarHBondContact O-N 2.76Å; P311-N314 PolarHBondContact O-N 3.26Å; P311-C323 HydrophobicContact CB-CB 4.45Å; P311-Y331 HydrophobicContact CB-CD1 4.09Å; P311-Y331 HydrophobicContact CB-CE1 4.47Å; P311-Y331 HydrophobicContact CG-CD1 3.99Å; P311-Y331 HydrophobicContact CG-CE1 4.03Å; P311-Y331 HydrophobicContact CG-CG 4.35Å; P311-L349 HydrophobicContact CB-CD1 4.16Å; P311-L349 HydrophobicContact CG-CD1 3.73Å
312	E	81	Confident	78.9	Confident	67 Å²	67	62.2 Å²	62.2	31%	0.313	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.7	-26.8	-178.1	65.8	-170.6	172	0	0	113.1	R304 T310 N314 Y325	R304-E312 IonicContact CZ-OE1 3.21Å; R304-E312 IonicContact CZ-OE2 3.83Å; R304-E312 IonicContact NH1-OE1 2.9Å; R304-E312 PolarHBondContact NH1-OE1 3.47Å; R304-E312 IonicContact NH2-OE1 2.88Å; R304-E312 PolarHBondContact NH2-OE1 3.38Å; R304-E312 IonicContact NH2-OE2 2.79Å; R304-E312 PolarHBondContact NH2-OE2 2.98Å; T310-E312 PolarHBondContact O-N 3.05Å; T310-E312 WeakPolarHBondContact OG1-CG 3.48Å; E312-N314 PolarHBondContact O-N 3.15Å; E312-Y325 WeakPolarHBondContact OE2-CB 3.47Å
313	S	80.6	Confident	78.5	Confident	71 Å²	71	63.4 Å²	63.4	50%	0.497	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-74	-10.1	179.8	-60.8	0	0	0	0	112.3	T310 P311 F315	T310-S313 PolarHBondContact O-N 2.96Å; T310-S313 VanDerWaalsContact O-N 3.12Å; T310-S313 PolarHBondContact OG1-OG 2.98Å; P311-S313 VanDerWaalsContact C-N 3.28Å; P311-S313 PolarHBondContact O-N 2.76Å; S313-F315 VanDerWaalsContact C-N 3.27Å; S313-F315 PolarHBondContact O-N 3.47Å
314	N	80	Confident	78.3	Confident	43 Å²	43	63.7 Å²	63.7	23%	0.23	33%	0.334	C	S	.	.			trans	38	55.4	-178.4	-169	19.8	0	0	0	112.7	P311 E312 T316 D317 Q318 R321	P311-N314 PolarHBondContact O-N 3.26Å; E312-N314 PolarHBondContact O-N 3.15Å; N314-T316 PolarHBondContact O-N 3Å; N314-D317 PolarHBondContact O-N 3.46Å; N314-Q318 PolarHBondContact ND2-O 3.26Å; N314-R321 PolarHBondContact ND2-O 3.35Å
315	F	80.3	Confident	78.3	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.088	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.7	-172.4	69.1	-88.5	0	0	0	113.4	A61 D65 Y66 E69 K98 S313	A61-F315 HydrophobicContact CB-CZ 4.08Å; D65-F315 HydrophobicContact CB-CE2 4.16Å; Y66-F315 HydrophobicContact CD1-CE1 4.16Å; Y66-F315 AromaticContact CD1-CZ 3.72Å; Y66-F315 HydrophobicContact CD1-CZ 3.72Å; Y66-F315 HydrophobicContact CD2-CZ 4.36Å; Y66-F315 AromaticContact CE1-CE1 3.61Å; Y66-F315 HydrophobicContact CE1-CE1 3.61Å; Y66-F315 AromaticContact CE1-CZ 3.52Å; Y66-F315 HydrophobicContact CE1-CZ 3.52Å; Y66-F315 HydrophobicContact CE2-CZ 4.2Å; Y66-F315 HydrophobicContact CG-CZ 4.15Å; Y66-F315 AromaticContact CZ-CE1 3.99Å; Y66-F315 AromaticContact CZ-CZ 3.79Å; E69-F315 HydrophobicContact CB-CD2 4.08Å; E69-F315 HydrophobicContact CB-CE2 4.31Å; E69-F315 HydrophobicContact CG-CD2 4.03Å; K98-F315 WeakPolarHBondContact CD-O 3.36Å; K98-F315 WeakPolarHBondContact CE-O 3.41Å; K98-F315 PolarHBondContact NZ-O 3.23Å; S313-F315 VanDerWaalsContact C-N 3.27Å; S313-F315 PolarHBondContact O-N 3.47Å
316	T	72.8	Confident	78.4	Confident	12 Å²	12	61 Å²	61	7%	0.074	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.2	-178.5	54.4	0	0	0	0	114.1	A61 D65 N314 Q318	A61-T316 HydrophobicContact CB-CG2 4.2Å; D65-T316 HydrophobicContact CB-CG2 4.2Å; N314-T316 PolarHBondContact O-N 3Å; T316-Q318 PolarHBondContact O-N 3.45Å; T316-Q318 VanDerWaalsContact O-N 3.12Å
317	D	68.3	Low	78.6	Confident	92 Å²	92	71.5 Å²	71.5	49%	0.492	37%	0.371	S	S	.	.			trans	50.7	33.1	177.6	-70.7	-27.6	0	0	0	114.3	N314	N314-D317 PolarHBondContact O-N 3.46Å
318	Q	66.7	Low	78.8	Confident	66 Å²	66	70.2 Å²	70.2	31%	0.308	37%	0.37	S	S	.	.			trans	-87.2	121.2	175.4	-66.3	-172.6	2.4	0	0	109.9	N314 T316 G320 R321	N314-Q318 PolarHBondContact ND2-O 3.26Å; T316-Q318 PolarHBondContact O-N 3.45Å; T316-Q318 VanDerWaalsContact O-N 3.12Å; Q318-G320 PolarHBondContact O-N 3.33Å; Q318-R321 HydrophobicContact CB-CG 4.38Å; Q318-R321 PolarHBondContact O-N 3.11Å; Q318-R321 VanDerWaalsContact OE1-CD 3.31Å; Q318-R321 VanDerWaalsContact OE1-NE 3.16Å
319	E	59	Low	79	Confident	201 Å²	201	68.1 Å²	68.1	94%	0.939	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131.7	178.1	-66.5	-176.3	171.9	0	0	110.3
320	G	59.3	Low	79.3	Confident	58 Å²	58	67.8 Å²	67.8	60%	0.598	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-4.1	177.7	0	0	0	0	0	116	Q318 S322 S334	Q318-G320 PolarHBondContact O-N 3.33Å; G320-S322 PolarHBondContact O-N 3.24Å; G320-S334 PolarHBondContact O-OG 3.32Å
321	R	67.1	Low	79.7	Confident	67 Å²	67	67.8 Å²	67.8	25%	0.253	35%	0.353	S	S	.	.			trans	-96.6	56.4	176.3	-69.1	-173.2	168.2	-167.8	-11.8	113.2	N60 N314 Q318 D369	N60-R321 PolarHBondContact O-NH1 3.43Å; N314-R321 PolarHBondContact ND2-O 3.35Å; Q318-R321 HydrophobicContact CB-CG 4.38Å; Q318-R321 PolarHBondContact O-N 3.11Å; Q318-R321 VanDerWaalsContact OE1-CD 3.31Å; Q318-R321 VanDerWaalsContact OE1-NE 3.16Å; R321-D369 IonicContact CZ-OD2 3.3Å; R321-D369 VanDerWaalsContact CZ-OD2 3.27Å; R321-D369 IonicContact NE-OD2 3.02Å; R321-D369 PolarHBondContact NE-OD2 3.32Å; R321-D369 IonicContact NH2-OD2 3.87Å; R321-D369 PolarHBondContact NH2-OD2 3.15Å
322	S	74.8	Confident	80.1	Confident	72 Å²	72	71.3 Å²	71.3	50%	0.503	37%	0.365	S	S	.	.			trans	-87.2	122.3	175.2	61.7	0	0	0	0	111	G320 G333 S334	G320-S322 PolarHBondContact O-N 3.24Å; S322-G333 CarbonylContact O-C 3.57Å; S322-G333 WeakPolarHBondContact O-CA 3.27Å; S322-S334 PolarHBondContact O-N 3.15Å; S322-S334 VanDerWaalsContact O-N 3.14Å; S322-S334 PolarHBondContact OG-OG 3.14Å
323	C	81.9	Confident	80.4	Confident	29 Å²	29	68.5 Å²	68.5	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.3	175.9	-70.3	0	0	0	0	110.6	P311 R332	P311-C323 HydrophobicContact CB-CB 4.45Å; C323-R332 CarbonylContact C-O 3.59Å; C323-R332 WeakPolarHBondContact CA-O 3.18Å
324	T	86.9	Confident	80.8	Confident	82 Å²	82	67 Å²	67	50%	0.503	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.5	172.8	57.8	0	0	0	0	110.4	Y331 R332	T324-Y331 WeakPolarHBondContact O-CA 3Å; T324-R332 PolarHBondContact N-O 3.16Å; T324-R332 PolarHBondContact O-N 3.29Å; T324-R332 PolarHBondContact OG1-O 3.41Å; T324-R332 VanDerWaalsContact OG1-O 3.1Å
325	Y	90.2	Very high	81.1	Confident	94 Å²	94	67.6 Å²	67.6	37%	0.369	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.4	178.2	177.4	-108.9	0	0	0	112.2	R304 E312 N329 Y331	R304-Y325 VanDerWaalsContact NE-CE2 3.3Å; E312-Y325 WeakPolarHBondContact OE2-CB 3.47Å; Y325-N329 HydrophobicContact CE2-CB 4.41Å; Y325-N329 PolarHBondContact OH-OD1 3.43Å; Y325-Y331 AromaticContact CD2-CD1 3.9Å; Y325-Y331 HydrophobicContact CD2-CD1 3.9Å; Y325-Y331 AromaticContact CD2-CE1 3.45Å; Y325-Y331 HydrophobicContact CD2-CE1 3.45Å; Y325-Y331 VanDerWaalsContact CD2-CE1 3.45Å; Y325-Y331 HydrophobicContact CD2-CE2 4.4Å; Y325-Y331 AromaticContact CD2-CZ 3.74Å; Y325-Y331 HydrophobicContact CE2-CE1 4.01Å; Y325-Y331 HydrophobicContact CE2-CE2 4.42Å; Y325-Y331 AromaticContact CE2-CZ 3.81Å; Y325-Y331 HydrophobicContact CG-CE1 4.4Å
326	S	89.4	Confident	81.6	Confident	43 Å²	43	68.2 Å²	68.2	30%	0.301	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	170.5	179	-68.2	0	0	0	0	111.4	V330	S326-V330 PolarHBondContact N-O 3.38Å; S326-V330 PolarHBondContact O-N 3.42Å
327	R	89.1	Confident	82.4	Confident	219 Å²	219	70.8 Å²	70.8	83%	0.826	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	154	176.8	-65.3	-175.8	179	-178	-0.6	111.5	N329	R327-N329 VanDerWaalsContact C-N 3.31Å
328	H	90.6	Very high	83.5	Confident	133 Å²	133	69.9 Å²	69.9	62%	0.616	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	32.4	-175.5	-49.7	95.7	0	0	0	113.9	V330 E346 N347	H328-V330 VanDerWaalsContact C-N 3.31Å; H328-V330 PolarHBondContact O-N 3.39Å; H328-E346 HydrophobicContact CB-CB 4.28Å; H328-E346 CarbonylContact O-C 3.46Å; H328-E346 WeakPolarHBondContact O-CA 3.31Å; H328-N347 PolarHBondContact O-N 3.39Å
329	N	90.8	Very high	84.7	Confident	34 Å²	34	67.9 Å²	67.9	18%	0.182	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	45	179.6	-58.8	-32.7	0	0	0	113.8	V302 Y325 R327 Y331 N347 V348	V302-N329 HydrophobicContact CG1-CB 4.3Å; Y325-N329 HydrophobicContact CE2-CB 4.41Å; Y325-N329 PolarHBondContact OH-OD1 3.43Å; R327-N329 VanDerWaalsContact C-N 3.31Å; N329-Y331 HydrophobicContact CB-CE2 4.3Å; N329-Y331 WeakPolarHBondContact O-CD2 3.38Å; N329-Y331 WeakPolarHBondContact O-CE2 3.35Å; N329-N347 WeakPolarHBondContact CB-OD1 3.16Å; N329-N347 PolarHBondContact ND2-OD1 3.36Å; N329-N347 WeakPolarHBondContact O-CA 3.45Å; N329-V348 PolarHBondContact O-N 2.87Å; N329-V348 VanDerWaalsContact O-N 3.17Å
330	V	91.6	Very high	86.3	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118	176.6	177.2	0	0	0	0	108.9	S326 H328 R332 M344 V348	S326-V330 PolarHBondContact N-O 3.38Å; S326-V330 PolarHBondContact O-N 3.42Å; H328-V330 VanDerWaalsContact C-N 3.31Å; H328-V330 PolarHBondContact O-N 3.39Å; V330-R332 HydrophobicContact CG1-CG 4.15Å; V330-M344 HydrophobicContact CG1-CB 4.43Å; V330-M344 HydrophobicContact CG1-SD 3.55Å; V330-M344 VanDerWaalsContact CG1-SD 3.55Å; V330-M344 HydrophobicContact CG2-CB 4.2Å; V330-V348 CarbonylContact C-O 3.57Å; V330-V348 WeakPolarHBondContact CA-O 3.46Å
331	Y	91.3	Very high	87.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.3	176.3	-55.5	-93.2	0	0	0	109.5	V302 R304 P311 T324 Y325 N329 V348 L349 I350	V302-Y331 HydrophobicContact CG1-CD2 4.23Å; V302-Y331 HydrophobicContact CG1-CE2 3.83Å; V302-Y331 WeakPolarHBondContact O-CE2 3.46Å; V302-Y331 PolarHBondContact O-OH 3.16Å; R304-Y331 WeakPolarHBondContact CG-OH 3.27Å; R304-Y331 PolarHBondContact NE-OH 3.19Å; P311-Y331 HydrophobicContact CB-CD1 4.09Å; P311-Y331 HydrophobicContact CB-CE1 4.47Å; P311-Y331 HydrophobicContact CG-CD1 3.99Å; P311-Y331 HydrophobicContact CG-CE1 4.03Å; P311-Y331 HydrophobicContact CG-CG 4.35Å; T324-Y331 WeakPolarHBondContact O-CA 3Å; Y325-Y331 AromaticContact CD2-CD1 3.9Å; Y325-Y331 HydrophobicContact CD2-CD1 3.9Å; Y325-Y331 AromaticContact CD2-CE1 3.45Å; Y325-Y331 HydrophobicContact CD2-CE1 3.45Å; Y325-Y331 VanDerWaalsContact CD2-CE1 3.45Å; Y325-Y331 HydrophobicContact CD2-CE2 4.4Å; Y325-Y331 AromaticContact CD2-CZ 3.74Å; Y325-Y331 HydrophobicContact CE2-CE1 4.01Å; Y325-Y331 HydrophobicContact CE2-CE2 4.42Å; Y325-Y331 AromaticContact CE2-CZ 3.81Å; Y325-Y331 HydrophobicContact CG-CE1 4.4Å; N329-Y331 HydrophobicContact CB-CE2 4.3Å; N329-Y331 WeakPolarHBondContact O-CD2 3.38Å; N329-Y331 WeakPolarHBondContact O-CE2 3.35Å; Y331-V348 PolarHBondContact N-O 3.42Å; Y331-L349 HydrophobicContact CD2-CB 4.41Å; Y331-I350 PolarHBondContact O-N 2.8Å
332	R	90.3	Very high	88.9	Confident	90 Å²	90	63.6 Å²	63.6	34%	0.34	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.6	-180	-61.6	178.2	177.4	170.2	-2.3	110.4	C323 T324 V330 M344	C323-R332 CarbonylContact C-O 3.59Å; C323-R332 WeakPolarHBondContact CA-O 3.18Å; T324-R332 PolarHBondContact N-O 3.16Å; T324-R332 PolarHBondContact O-N 3.29Å; T324-R332 PolarHBondContact OG1-O 3.41Å; T324-R332 VanDerWaalsContact OG1-O 3.1Å; V330-R332 HydrophobicContact CG1-CG 4.15Å; R332-M344 PolarHBondContact NH2-SD 3.47Å
333	G	87.8	Confident	89.6	Confident	8 Å²	8	66.4 Å²	66.4	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	167.2	169.5	0	0	0	0	0	112.9	S322 V336 I350	S322-G333 CarbonylContact O-C 3.57Å; S322-G333 WeakPolarHBondContact O-CA 3.27Å; G333-V336 WeakPolarHBondContact O-CG2 3.38Å; G333-I350 PolarHBondContact N-O 3.44Å
334	S	88.1	Confident	90.1	Very high	39 Å²	39	66.8 Å²	66.8	27%	0.273	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	147.5	170.3	23.9	0	0	0	0	111.3	G320 S322 V336 C352 D353	G320-S334 PolarHBondContact O-OG 3.32Å; S322-S334 PolarHBondContact O-N 3.15Å; S322-S334 VanDerWaalsContact O-N 3.14Å; S322-S334 PolarHBondContact OG-OG 3.14Å; S334-V336 VanDerWaalsContact C-N 3.3Å; S334-V336 PolarHBondContact O-N 3.45Å; S334-C352 CarbonylContact O-C 3.56Å; S334-C352 VanDerWaalsContact O-CA 3.26Å; S334-C352 WeakPolarHBondContact O-CA 3.49Å; S334-D353 PolarHBondContact O-N 3.47Å
335	G	86.9	Confident	90.2	Very high	56 Å²	56	66.1 Å²	66.1	58%	0.577	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	2.8	175.8	0	0	0	0	0	115.7	S337	G335-S337 PolarHBondContact O-N 3.36Å
336	V	90.1	Very high	90.3	Very high	33 Å²	33	65.6 Å²	65.6	20%	0.2	36%	0.356	C	S	.	.			trans	-71.2	125.4	-178.8	177.7	0	0	0	0	111.9	G333 S334 L338 I350 G351 T354	G333-V336 WeakPolarHBondContact O-CG2 3.38Å; S334-V336 VanDerWaalsContact C-N 3.3Å; S334-V336 PolarHBondContact O-N 3.45Å; V336-L338 HydrophobicContact CG1-CD2 3.82Å; V336-L338 HydrophobicContact CG1-CG 4.11Å; V336-I350 HydrophobicContact CB-CG2 4.5Å; V336-I350 HydrophobicContact CG1-CG2 3.88Å; V336-I350 HydrophobicContact CG2-CB 4.46Å; V336-I350 HydrophobicContact CG2-CG2 3.71Å; V336-G351 WeakPolarHBondContact CG2-O 3.32Å; V336-T354 WeakPolarHBondContact CA-O 3.45Å
337	S	90.8	Very high	90.4	Very high	65 Å²	65	64.1 Å²	64.1	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.6	172.1	67.6	0	0	0	0	110.9	G335 T354 S355 I356	G335-S337 PolarHBondContact O-N 3.36Å; S337-T354 PolarHBondContact N-O 2.63Å; S337-S355 WeakPolarHBondContact OG-CA 3.38Å; S337-S355 WeakPolarHBondContact OG-CB 3.32Å; S337-I356 PolarHBondContact O-N 3.47Å
338	L	91.6	Very high	90.6	Very high	73 Å²	73	53.7 Å²	53.7	38%	0.382	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	-179.3	-61.9	175.6	0	0	0	111.4	V336 M344 I356	V336-L338 HydrophobicContact CG1-CD2 3.82Å; V336-L338 HydrophobicContact CG1-CG 4.11Å; L338-M344 HydrophobicContact CD1-CE 3.46Å; L338-M344 VanDerWaalsContact CD1-CE 3.46Å; L338-M344 HydrophobicContact CD2-CE 3.19Å; L338-M344 HydrophobicContact CG-CE 3.96Å; L338-I356 HydrophobicContact CD2-CB 4.05Å; L338-I356 HydrophobicContact CD2-CD1 3.7Å; L338-I356 HydrophobicContact CD2-CG1 4.25Å
339	G	90.4	Very high	90.7	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	28%	0.277	C	S	.	.			trans	-69.2	159.3	174.4	0	0	0	0	0	113.5	I356 G357	G339-I356 PolarHBondContact N-O 3.27Å; G339-G357 WeakPolarHBondContact CA-O 3.48Å
340	H	92.5	Very high	90.8	Very high	168 Å²	168	45.9 Å²	45.9	78%	0.778	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	137.3	-179	178.5	-82.8	0	0	0	111.4	S342 A358 N359	H340-S342 VanDerWaalsContact C-N 3.26Å; H340-S342 PolarHBondContact O-N 3.01Å; H340-A358 VanDerWaalsContact O-CA 3.27Å; H340-A358 WeakPolarHBondContact O-CA 3.31Å; H340-A358 VanDerWaalsContact O-CB 3.28Å; H340-A358 WeakPolarHBondContact O-CB 3.28Å; H340-N359 PolarHBondContact O-N 3.27Å
341	G	89.6	Confident	90.7	Very high	36 Å²	36	45.7 Å²	45.7	37%	0.371	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-1.4	176	0	0	0	0	0	115.1
342	S	91.9	Very high	90.6	Very high	32 Å²	32	46 Å²	46	22%	0.224	27%	0.27	C	S	.	.			trans	-75.1	131.7	177.4	-64.4	0	0	0	0	111.8	H340 G357 N359 C360	H340-S342 VanDerWaalsContact C-N 3.26Å; H340-S342 PolarHBondContact O-N 3.01Å; S342-G357 PolarHBondContact OG-O 2.86Å; S342-N359 PolarHBondContact OG-N 2.85Å; S342-C360 CarbonylContact C-O 3.51Å; S342-C360 VanDerWaalsContact CA-O 3.31Å; S342-C360 WeakPolarHBondContact CA-O 3.21Å; S342-C360 PolarHBondContact OG-N 3.16Å
343	Q	90.6	Very high	90.7	Very high	132 Å²	132	46.8 Å²	46.8	62%	0.617	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	-173.9	-61.1	-178.3	27	0	0	110.2	C360 I362	Q343-C360 PolarHBondContact N-O 3.13Å; Q343-I362 PolarHBondContact O-N 3.08Å
344	M	91.1	Very high	90.9	Very high	37 Å²	37	46.4 Å²	46.4	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.9	168.2	-61.3	174.6	-171.9	0	0	106.9	V330 R332 L338 V348 I350 I356	V330-M344 HydrophobicContact CG1-CB 4.43Å; V330-M344 HydrophobicContact CG1-SD 3.55Å; V330-M344 VanDerWaalsContact CG1-SD 3.55Å; V330-M344 HydrophobicContact CG2-CB 4.2Å; R332-M344 PolarHBondContact NH2-SD 3.47Å; L338-M344 HydrophobicContact CD1-CE 3.46Å; L338-M344 VanDerWaalsContact CD1-CE 3.46Å; L338-M344 HydrophobicContact CD2-CE 3.19Å; L338-M344 HydrophobicContact CG-CE 3.96Å; M344-V348 HydrophobicContact CB-CG2 4.47Å; M344-I350 HydrophobicContact CE-CD1 3.13Å; M344-I350 HydrophobicContact SD-CD1 3.75Å; M344-I356 HydrophobicContact CE-CD1 4.46Å
345	V	88.9	Confident	91.3	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.406	28%	0.278	S	S	.	.			trans	-79.2	-65.5	-172.1	-176.5	0	0	0	0	109.5	I362	V345-I362 PolarHBondContact N-O 2.68Å
346	E	91.9	Very high	91.6	Very high	83 Å²	83	44.2 Å²	44.2	39%	0.388	25%	0.252	S	S	.	.	S	Bend	trans	-160.7	155	-179.3	61.8	177.8	-175.6	0	0	111.7	H328 V348 N364	H328-E346 HydrophobicContact CB-CB 4.28Å; H328-E346 CarbonylContact O-C 3.46Å; H328-E346 WeakPolarHBondContact O-CA 3.31Å; E346-V348 WeakPolarHBondContact O-CG2 3.17Å; E346-V348 PolarHBondContact O-N 3.38Å; E346-N364 PolarHBondContact O-N 2.63Å; E346-N364 PolarHBondContact OE1-ND2 3.43Å
347	N	91.6	Very high	91.8	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	50	59.8	172.6	-53.1	-48.5	0	0	0	112	V302 H328 N329 N364 S365	V302-N347 HydrophobicContact CB-CB 4.48Å; V302-N347 VanDerWaalsContact CG1-C 3.46Å; V302-N347 VanDerWaalsContact CG1-CA 3.42Å; V302-N347 HydrophobicContact CG1-CB 3.61Å; H328-N347 PolarHBondContact O-N 3.39Å; N329-N347 WeakPolarHBondContact CB-OD1 3.16Å; N329-N347 PolarHBondContact ND2-OD1 3.36Å; N329-N347 WeakPolarHBondContact O-CA 3.45Å; N347-N364 WeakPolarHBondContact CB-OD1 3.1Å; N347-N364 PolarHBondContact ND2-OD1 3.28Å; N347-N364 CarbonylContact O-C 3.58Å; N347-N364 WeakPolarHBondContact O-CA 3.37Å; N347-N364 PolarHBondContact O-N 3.48Å; N347-S365 PolarHBondContact O-N 3.05Å; N347-S365 VanDerWaalsContact O-N 3.15Å
348	V	93.8	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.4	-178.7	-176	0	0	0	0	109.7	N329 V330 Y331 M344 E346 I350 I362 S365	N329-V348 PolarHBondContact O-N 2.87Å; N329-V348 VanDerWaalsContact O-N 3.17Å; V330-V348 CarbonylContact C-O 3.57Å; V330-V348 WeakPolarHBondContact CA-O 3.46Å; Y331-V348 PolarHBondContact N-O 3.42Å; M344-V348 HydrophobicContact CB-CG2 4.47Å; E346-V348 WeakPolarHBondContact O-CG2 3.17Å; E346-V348 PolarHBondContact O-N 3.38Å; V348-I350 HydrophobicContact CG1-CD1 4.22Å; V348-I350 HydrophobicContact CG1-CG1 3.84Å; V348-I362 HydrophobicContact CB-CG2 4.39Å; V348-I362 HydrophobicContact CG1-CB 4.47Å; V348-I362 HydrophobicContact CG1-CG2 3.61Å; V348-I362 HydrophobicContact CG2-CB 4.32Å; V348-I362 HydrophobicContact CG2-CG2 3.8Å; V348-S365 WeakPolarHBondContact CA-O 3.33Å
349	L	92.7	Very high	92.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127	169.7	-172.7	158.6	0	0	0	109.4	F301 P311 Y331 S365 I366 I367	F301-L349 HydrophobicContact CE1-CD1 3.98Å; P311-L349 HydrophobicContact CB-CD1 4.16Å; P311-L349 HydrophobicContact CG-CD1 3.73Å; Y331-L349 HydrophobicContact CD2-CB 4.41Å; L349-S365 PolarHBondContact N-O 3.01Å; L349-I366 HydrophobicContact CB-CG1 4.31Å; L349-I366 HydrophobicContact CB-CG2 4.21Å; L349-I366 HydrophobicContact CD2-CG2 4.05Å; L349-I366 HydrophobicContact CG-CG2 4.5Å; L349-I367 PolarHBondContact O-N 3.39Å
350	I	93.1	Very high	92.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.8	179	-50.7	173.4	0	0	0	108.9	Y331 G333 V336 M344 V348 T354 I356 I367	Y331-I350 PolarHBondContact O-N 2.8Å; G333-I350 PolarHBondContact N-O 3.44Å; V336-I350 HydrophobicContact CB-CG2 4.5Å; V336-I350 HydrophobicContact CG1-CG2 3.88Å; V336-I350 HydrophobicContact CG2-CB 4.46Å; V336-I350 HydrophobicContact CG2-CG2 3.71Å; M344-I350 HydrophobicContact CE-CD1 3.13Å; M344-I350 HydrophobicContact SD-CD1 3.75Å; V348-I350 HydrophobicContact CG1-CD1 4.22Å; V348-I350 HydrophobicContact CG1-CG1 3.84Å; I350-T354 HydrophobicContact CG2-CG2 3.91Å; I350-I356 HydrophobicContact CD1-CD1 3.78Å; I350-I356 HydrophobicContact CG1-CD1 4.44Å; I350-I356 HydrophobicContact CG2-CD1 4.23Å; I350-I367 HydrophobicContact CG1-CD1 4.39Å
351	G	89.8	Confident	92.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	21%	0.21	C	C	.	.			trans	-65.3	174.4	176	0	0	0	0	0	114.2	N60 V336 I367 G368 D369	N60-G351 WeakPolarHBondContact ND2-CA 3.15Å; V336-G351 WeakPolarHBondContact CG2-O 3.32Å; G351-I367 PolarHBondContact N-O 3.16Å; G351-G368 WeakPolarHBondContact CA-O 3.48Å; G351-D369 WeakPolarHBondContact CA-OD1 3.23Å
352	C	89.7	Confident	92.7	Very high	7 Å²	7	34 Å²	34	5%	0.047	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	149.5	-178.3	-60.2	0	0	0	0	111.2	S334 T354 D369 N370	S334-C352 CarbonylContact O-C 3.56Å; S334-C352 VanDerWaalsContact O-CA 3.26Å; S334-C352 WeakPolarHBondContact O-CA 3.49Å; C352-T354 PolarHBondContact O-N 2.87Å; C352-D369 PolarHBondContact N-OD1 2.95Å; C352-D369 WeakPolarHBondContact O-CA 3.35Å; C352-N370 PolarHBondContact O-N 3.4Å
353	D	91.1	Very high	92.8	Very high	105 Å²	105	33.5 Å²	33.5	56%	0.561	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	23.9	175.7	-58.7	-46.6	0	0	0	115	S334 N370	S334-D353 PolarHBondContact O-N 3.47Å; D353-N370 WeakPolarHBondContact CB-OD1 3.4Å
354	T	93.3	Very high	92.9	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.164	C	C	.	.			trans	-87.8	132.6	178.7	-72.6	0	0	0	0	111.7	V336 S337 I350 C352 I356 I367 G368 N370 C371	V336-T354 WeakPolarHBondContact CA-O 3.45Å; S337-T354 PolarHBondContact N-O 2.63Å; I350-T354 HydrophobicContact CG2-CG2 3.91Å; C352-T354 PolarHBondContact O-N 2.87Å; T354-I356 HydrophobicContact CG2-CG1 4.25Å; T354-I367 HydrophobicContact CG2-CG2 3.89Å; T354-G368 PolarHBondContact OG1-O 3.09Å; T354-N370 PolarHBondContact OG1-N 3.01Å; T354-C371 CarbonylContact C-O 3.59Å; T354-C371 VanDerWaalsContact CA-O 3.31Å; T354-C371 WeakPolarHBondContact CA-O 3.37Å; T354-C371 HydrophobicContact CG2-CB 3.93Å; T354-C371 WeakPolarHBondContact CG2-O 3.31Å; T354-C371 PolarHBondContact OG1-N 2.82Å; T354-C371 VanDerWaalsContact OG1-N 3.11Å
355	S	95	Very high	93.1	Very high	42 Å²	42	26.2 Å²	26.2	29%	0.294	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125	177.9	68	0	0	0	0	111.6	S337 C371 I373	S337-S355 WeakPolarHBondContact OG-CA 3.38Å; S337-S355 WeakPolarHBondContact OG-CB 3.32Å; S355-C371 PolarHBondContact N-O 3.27Å; S355-I373 PolarHBondContact O-N 3.29Å
356	I	95.1	Very high	93.4	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.036	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	178.6	-59	174.2	0	0	0	109.5	S337 L338 G339 M344 I350 T354 C360 I362 I367 I373	S337-I356 PolarHBondContact O-N 3.47Å; L338-I356 HydrophobicContact CD2-CB 4.05Å; L338-I356 HydrophobicContact CD2-CD1 3.7Å; L338-I356 HydrophobicContact CD2-CG1 4.25Å; G339-I356 PolarHBondContact N-O 3.27Å; M344-I356 HydrophobicContact CE-CD1 4.46Å; I350-I356 HydrophobicContact CD1-CD1 3.78Å; I350-I356 HydrophobicContact CG1-CD1 4.44Å; I350-I356 HydrophobicContact CG2-CD1 4.23Å; T354-I356 HydrophobicContact CG2-CG1 4.25Å; I356-C360 HydrophobicContact CG2-CB 4.07Å; I356-I362 HydrophobicContact CD1-CD1 3.94Å; I356-I362 HydrophobicContact CG2-CD1 4.34Å; I356-I367 HydrophobicContact CD1-CD1 4.43Å; I356-I373 HydrophobicContact CG1-CB 4.45Å; I356-I373 HydrophobicContact CG1-CD1 4.17Å
357	G	93.9	Very high	93.5	Very high	13 Å²	13	19.4 Å²	19.4	13%	0.134	12%	0.119	C	C	.	.			trans	-67.8	-170.7	177.6	0	0	0	0	0	114.6	G339 S342 I373 G374 D375	G339-G357 WeakPolarHBondContact CA-O 3.48Å; S342-G357 PolarHBondContact OG-O 2.86Å; G357-I373 PolarHBondContact N-O 3.44Å; G357-G374 WeakPolarHBondContact CA-O 3.23Å; G357-D375 WeakPolarHBondContact CA-OD1 3.42Å
358	A	95	Very high	93.5	Very high	27 Å²	27	18.8 Å²	18.8	22%	0.223	12%	0.116	C	C	.	.	S	Bend	trans	-83.2	153.8	-179	0	0	0	0	0	112.5	H340 C360 D375 N376	H340-A358 VanDerWaalsContact O-CA 3.27Å; H340-A358 WeakPolarHBondContact O-CA 3.31Å; H340-A358 VanDerWaalsContact O-CB 3.28Å; H340-A358 WeakPolarHBondContact O-CB 3.28Å; A358-C360 PolarHBondContact O-N 2.94Å; A358-C360 VanDerWaalsContact O-N 3.16Å; A358-D375 PolarHBondContact N-OD1 2.98Å; A358-D375 WeakPolarHBondContact O-CA 3.27Å; A358-N376 PolarHBondContact O-N 3.02Å
359	N	94.2	Very high	93.4	Very high	93 Å²	93	19.5 Å²	19.5	50%	0.497	12%	0.12	S	C	.	.	S	Bend	trans	52.7	32.3	175.8	-52.4	-39.6	0	0	0	115.5	H340 S342 N376	H340-N359 PolarHBondContact O-N 3.27Å; S342-N359 PolarHBondContact OG-N 2.85Å; N359-N376 WeakPolarHBondContact CB-OD1 3.21Å; N359-N376 PolarHBondContact ND2-OD1 3.37Å
360	C	94.9	Very high	93.4	Very high	2 Å²	2	23 Å²	23	1%	0.014	14%	0.139	C	C	.	.			trans	-81.9	147.8	175.6	-63.5	0	0	0	0	111.4	S342 Q343 I356 A358 G374 V377	S342-C360 CarbonylContact C-O 3.51Å; S342-C360 VanDerWaalsContact CA-O 3.31Å; S342-C360 WeakPolarHBondContact CA-O 3.21Å; S342-C360 PolarHBondContact OG-N 3.16Å; Q343-C360 PolarHBondContact N-O 3.13Å; I356-C360 HydrophobicContact CG2-CB 4.07Å; A358-C360 PolarHBondContact O-N 2.94Å; A358-C360 VanDerWaalsContact O-N 3.16Å; C360-G374 PolarHBondContact SG-O 3.14Å; C360-V377 CarbonylContact C-O 3.53Å; C360-V377 WeakPolarHBondContact CA-O 3.4Å
361	C	95.1	Very high	93.5	Very high	46 Å²	46	23 Å²	23	31%	0.311	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118	172.4	-171.3	0	0	0	0	109.1	V377 T378 L379	C361-V377 PolarHBondContact N-O 2.56Å; C361-T378 HydrophobicContact CB-CG2 4.5Å; C361-T378 WeakPolarHBondContact O-CA 3.18Å; C361-L379 PolarHBondContact O-N 2.95Å
362	I	95	Very high	93.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.4	-175.5	-51.4	173.9	0	0	0	109.4	Q343 V345 V348 I356 I367 L379	Q343-I362 PolarHBondContact O-N 3.08Å; V345-I362 PolarHBondContact N-O 2.68Å; V348-I362 HydrophobicContact CB-CG2 4.39Å; V348-I362 HydrophobicContact CG1-CB 4.47Å; V348-I362 HydrophobicContact CG1-CG2 3.61Å; V348-I362 HydrophobicContact CG2-CB 4.32Å; V348-I362 HydrophobicContact CG2-CG2 3.8Å; I356-I362 HydrophobicContact CD1-CD1 3.94Å; I356-I362 HydrophobicContact CG2-CD1 4.34Å; I362-I367 HydrophobicContact CD1-CD1 4.05Å; I362-I367 HydrophobicContact CG2-CD1 4.45Å; I362-L379 WeakPolarHBondContact CA-O 3.18Å; I362-L379 HydrophobicContact CD1-CD1 4.39Å; I362-L379 HydrophobicContact CG1-CB 4.38Å; I362-L379 HydrophobicContact CG1-CD1 4.21Å; I362-L379 HydrophobicContact CG2-CB 4.17Å; I362-L379 HydrophobicContact CG2-CD1 4.39Å
363	S	94	Very high	94	Very high	21 Å²	21	25.5 Å²	25.5	15%	0.147	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.6	176.7	51.7	0	0	0	0	111.9	S365 L379 D380 H381	S363-S365 PolarHBondContact O-N 3.48Å; S363-S365 PolarHBondContact O-OG 2.97Å; S363-L379 PolarHBondContact N-O 3.5Å; S363-L379 PolarHBondContact OG-O 2.81Å; S363-D380 PolarHBondContact OG-OD1 3.48Å; S363-H381 PolarHBondContact O-N 2.7Å; S363-H381 VanDerWaalsContact O-N 3.16Å
364	N	92.6	Very high	94.2	Very high	15 Å²	15	21.2 Å²	21.2	8%	0.08	13%	0.134	C	C	.	.	S	Bend	trans	49.2	36.5	173.2	-61	-64	0	0	0	114.1	E346 N347 H381	E346-N364 PolarHBondContact O-N 2.63Å; E346-N364 PolarHBondContact OE1-ND2 3.43Å; N347-N364 WeakPolarHBondContact CB-OD1 3.1Å; N347-N364 PolarHBondContact ND2-OD1 3.28Å; N347-N364 CarbonylContact O-C 3.58Å; N347-N364 WeakPolarHBondContact O-CA 3.37Å; N347-N364 PolarHBondContact O-N 3.48Å; N364-H381 PolarHBondContact ND2-CE1 2.67Å; N364-H381 VanDerWaalsContact O-CA 3.31Å; N364-H381 WeakPolarHBondContact O-CA 3.42Å
365	S	94.8	Very high	94.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.152	C	C	.	.			trans	-126.1	147.7	-169.1	-62.3	0	0	0	0	111.9	N347 V348 L349 S363 H381 A382	N347-S365 PolarHBondContact O-N 3.05Å; N347-S365 VanDerWaalsContact O-N 3.15Å; V348-S365 WeakPolarHBondContact CA-O 3.33Å; L349-S365 PolarHBondContact N-O 3.01Å; S363-S365 PolarHBondContact O-N 3.48Å; S363-S365 PolarHBondContact O-OG 2.97Å; S365-H381 PolarHBondContact OG-N 3.34Å; S365-A382 CarbonylContact C-O 3.55Å; S365-A382 VanDerWaalsContact CA-O 3.25Å; S365-A382 WeakPolarHBondContact CA-O 3Å; S365-A382 VanDerWaalsContact CB-O 3.23Å; S365-A382 WeakPolarHBondContact CB-O 3.42Å; S365-A382 PolarHBondContact OG-N 3.01Å
366	I	94.3	Very high	94.3	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.9	177.3	-58.4	-178	0	0	0	107.9	V302 L349 A382 Y383 I384	V302-I366 HydrophobicContact CG2-CD1 3.8Å; V302-I366 HydrophobicContact CG2-CG1 3.83Å; L349-I366 HydrophobicContact CB-CG1 4.31Å; L349-I366 HydrophobicContact CB-CG2 4.21Å; L349-I366 HydrophobicContact CD2-CG2 4.05Å; L349-I366 HydrophobicContact CG-CG2 4.5Å; I366-A382 PolarHBondContact N-O 3.35Å; I366-Y383 HydrophobicContact CB-CD1 4.09Å; I366-Y383 HydrophobicContact CD1-CD1 4.12Å; I366-Y383 HydrophobicContact CD1-CE1 3.95Å; I366-Y383 HydrophobicContact CG1-CD1 4.16Å; I366-Y383 HydrophobicContact CG1-CE1 4.1Å; I366-I384 PolarHBondContact O-N 3.33Å
367	I	94.9	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	179.7	-57.4	161.1	0	0	0	108.9	N60 L349 I350 G351 T354 I356 I362 C371 I373 L379 I384	N60-I367 PolarHBondContact ND2-O 3.16Å; L349-I367 PolarHBondContact O-N 3.39Å; I350-I367 HydrophobicContact CG1-CD1 4.39Å; G351-I367 PolarHBondContact N-O 3.16Å; T354-I367 HydrophobicContact CG2-CG2 3.89Å; I356-I367 HydrophobicContact CD1-CD1 4.43Å; I362-I367 HydrophobicContact CD1-CD1 4.05Å; I362-I367 HydrophobicContact CG2-CD1 4.45Å; I367-C371 HydrophobicContact CG2-CB 3.89Å; I367-I373 HydrophobicContact CD1-CD1 3.62Å; I367-I373 HydrophobicContact CG1-CD1 4.23Å; I367-I373 HydrophobicContact CG2-CD1 4.18Å; I367-L379 HydrophobicContact CD1-CD1 4.11Å; I367-L379 HydrophobicContact CG1-CD1 4.43Å; I367-I384 CarbonylContact C-O 3.41Å; I367-I384 HydrophobicContact CG1-CD1 4.15Å; I367-I384 HydrophobicContact CG2-CG2 4.47Å
368	G	91.9	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.			trans	-64.9	-176.7	176.5	0	0	0	0	0	114.7	N60 G351 T354 I384 W385	N60-G368 WeakPolarHBondContact OD1-CA 3.3Å; G351-G368 WeakPolarHBondContact CA-O 3.48Å; T354-G368 PolarHBondContact OG1-O 3.09Å; G368-I384 PolarHBondContact N-O 3.05Å; G368-W385 WeakPolarHBondContact CA-O 3.41Å
369	D	91.3	Very high	94.4	Very high	14 Å²	14	27 Å²	27	8%	0.075	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	151.4	177.5	-58.5	-26.7	0	0	0	110.9	N60 R321 G351 C352 C371 N386 D387	N60-D369 PolarHBondContact ND2-OD1 3.19Å; R321-D369 IonicContact CZ-OD2 3.3Å; R321-D369 VanDerWaalsContact CZ-OD2 3.27Å; R321-D369 IonicContact NE-OD2 3.02Å; R321-D369 PolarHBondContact NE-OD2 3.32Å; R321-D369 IonicContact NH2-OD2 3.87Å; R321-D369 PolarHBondContact NH2-OD2 3.15Å; G351-D369 WeakPolarHBondContact CA-OD1 3.23Å; C352-D369 PolarHBondContact N-OD1 2.95Å; C352-D369 WeakPolarHBondContact O-CA 3.35Å; D369-C371 VanDerWaalsContact C-N 3.27Å; D369-C371 PolarHBondContact O-N 2.85Å; D369-N386 PolarHBondContact N-OD1 2.86Å; D369-N386 WeakPolarHBondContact O-CA 3.41Å; D369-D387 PolarHBondContact O-N 2.63Å
370	N	92.3	Very high	94.3	Very high	77 Å²	77	25.3 Å²	25.3	41%	0.412	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	29.6	177.7	-56	-34.2	0	0	0	115.4	C352 D353 T354 D387	C352-N370 PolarHBondContact O-N 3.4Å; D353-N370 WeakPolarHBondContact CB-OD1 3.4Å; T354-N370 PolarHBondContact OG1-N 3.01Å; N370-D387 VanDerWaalsContact CB-OD1 3.24Å; N370-D387 WeakPolarHBondContact CB-OD1 3.07Å; N370-D387 PolarHBondContact ND2-OD1 3.18Å
371	C	94.6	Very high	94.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	16%	0.159	C	C	.	.			trans	-86.8	148.3	-179.2	-66	0	0	0	0	111.9	T354 S355 I367 D369 W385 V388	T354-C371 CarbonylContact C-O 3.59Å; T354-C371 VanDerWaalsContact CA-O 3.31Å; T354-C371 WeakPolarHBondContact CA-O 3.37Å; T354-C371 HydrophobicContact CG2-CB 3.93Å; T354-C371 WeakPolarHBondContact CG2-O 3.31Å; T354-C371 PolarHBondContact OG1-N 2.82Å; T354-C371 VanDerWaalsContact OG1-N 3.11Å; S355-C371 PolarHBondContact N-O 3.27Å; I367-C371 HydrophobicContact CG2-CB 3.89Å; D369-C371 VanDerWaalsContact C-N 3.27Å; D369-C371 PolarHBondContact O-N 2.85Å; C371-W385 PolarHBondContact SG-O 2.63Å; C371-V388 WeakPolarHBondContact CA-O 3.2Å; C371-V388 PolarHBondContact SG-N 3.02Å
372	T	95.6	Very high	94.1	Very high	52 Å²	52	25.4 Å²	25.4	32%	0.319	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.6	171.9	69.6	0	0	0	0	110.2	V388 H389 I390	T372-V388 PolarHBondContact N-O 3.26Å; T372-H389 PolarHBondContact OG1-ND1 2.99Å; T372-I390 PolarHBondContact O-N 2.92Å
373	I	95.8	Very high	94.1	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.9	178.6	-57.9	176.5	0	0	0	108.3	S355 I356 G357 I367 V377 L379 I390	S355-I373 PolarHBondContact O-N 3.29Å; I356-I373 HydrophobicContact CG1-CB 4.45Å; I356-I373 HydrophobicContact CG1-CD1 4.17Å; G357-I373 PolarHBondContact N-O 3.44Å; I367-I373 HydrophobicContact CD1-CD1 3.62Å; I367-I373 HydrophobicContact CG1-CD1 4.23Å; I367-I373 HydrophobicContact CG2-CD1 4.18Å; I373-V377 HydrophobicContact CG2-CB 3.86Å; I373-V377 HydrophobicContact CG2-CG1 3.98Å; I373-V377 HydrophobicContact CG2-CG2 3.88Å; I373-L379 HydrophobicContact CD1-CD1 3.97Å; I373-I390 CarbonylContact C-O 3.5Å; I373-I390 HydrophobicContact CG1-CD1 4.42Å
374	G	94.4	Very high	94.2	Very high	16 Å²	16	24.4 Å²	24.4	17%	0.165	14%	0.137	C	C	.	.			trans	-71.6	-164.1	-179.8	0	0	0	0	0	114.3	G357 C360 I390	G357-G374 WeakPolarHBondContact CA-O 3.23Å; C360-G374 PolarHBondContact SG-O 3.14Å; G374-I390 PolarHBondContact N-O 3.33Å
375	D	95.3	Very high	94.3	Very high	73 Å²	73	24.2 Å²	24.2	39%	0.39	14%	0.135	S	C	.	.	S	Bend	trans	-90.2	151	-177.2	-59.8	-43.2	0	0	0	112	G357 A358 V377 S392 N393	G357-D375 WeakPolarHBondContact CA-OD1 3.42Å; A358-D375 PolarHBondContact N-OD1 2.98Å; A358-D375 WeakPolarHBondContact O-CA 3.27Å; D375-V377 VanDerWaalsContact C-N 3.3Å; D375-V377 PolarHBondContact O-N 3.19Å; D375-S392 PolarHBondContact N-OG 2.96Å; D375-S392 CarbonylContact O-C 3.57Å; D375-S392 WeakPolarHBondContact O-CA 3.35Å; D375-S392 WeakPolarHBondContact O-CB 3.48Å; D375-N393 PolarHBondContact O-N 3.13Å
376	N	94.6	Very high	94.2	Very high	74 Å²	74	25.7 Å²	25.7	40%	0.396	14%	0.143	S	C	.	.	S	Bend	trans	56.5	37.4	178.9	-50.2	-41.9	0	0	0	114	A358 N359 N393	A358-N376 PolarHBondContact O-N 3.02Å; N359-N376 WeakPolarHBondContact CB-OD1 3.21Å; N359-N376 PolarHBondContact ND2-OD1 3.37Å; N376-N393 PolarHBondContact ND2-OD1 2.96Å; N376-N393 VanDerWaalsContact ND2-OD1 3.15Å
377	V	95.8	Very high	94.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.156	C	C	.	.			trans	-89.7	137.9	179.3	179.5	0	0	0	0	110.9	C360 C361 I373 D375 L379 I390 A391 V394	C360-V377 CarbonylContact C-O 3.53Å; C360-V377 WeakPolarHBondContact CA-O 3.4Å; C361-V377 PolarHBondContact N-O 2.56Å; I373-V377 HydrophobicContact CG2-CB 3.86Å; I373-V377 HydrophobicContact CG2-CG1 3.98Å; I373-V377 HydrophobicContact CG2-CG2 3.88Å; D375-V377 VanDerWaalsContact C-N 3.3Å; D375-V377 PolarHBondContact O-N 3.19Å; V377-L379 HydrophobicContact CG1-CD2 3.82Å; V377-L379 HydrophobicContact CG1-CG 3.98Å; V377-I390 HydrophobicContact CG1-CG2 4.2Å; V377-I390 HydrophobicContact CG2-CG2 4.28Å; V377-A391 WeakPolarHBondContact CG2-O 3.42Å; V377-V394 VanDerWaalsContact CA-O 3.32Å; V377-V394 WeakPolarHBondContact CA-O 3.46Å; V377-V394 HydrophobicContact CG1-CB 4.46Å; V377-V394 WeakPolarHBondContact CG1-O 3.32Å; V377-V394 HydrophobicContact CG2-CB 4.42Å
378	T	95.3	Very high	94.2	Very high	63 Å²	63	28.2 Å²	28.2	39%	0.387	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.5	172.6	-54.3	0	0	0	0	110.1	C361 V394 A395 I396	C361-T378 HydrophobicContact CB-CG2 4.5Å; C361-T378 WeakPolarHBondContact O-CA 3.18Å; T378-V394 PolarHBondContact N-O 2.8Å; T378-A395 WeakPolarHBondContact O-CA 3.28Å; T378-I396 PolarHBondContact O-N 3.19Å
379	L	94.9	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.4	177.2	-59.7	-178.7	0	0	0	109.5	C361 I362 S363 I367 I373 V377 A382 I384 I390 I396	C361-L379 PolarHBondContact O-N 2.95Å; I362-L379 WeakPolarHBondContact CA-O 3.18Å; I362-L379 HydrophobicContact CD1-CD1 4.39Å; I362-L379 HydrophobicContact CG1-CB 4.38Å; I362-L379 HydrophobicContact CG1-CD1 4.21Å; I362-L379 HydrophobicContact CG2-CB 4.17Å; I362-L379 HydrophobicContact CG2-CD1 4.39Å; S363-L379 PolarHBondContact N-O 3.5Å; S363-L379 PolarHBondContact OG-O 2.81Å; I367-L379 HydrophobicContact CD1-CD1 4.11Å; I367-L379 HydrophobicContact CG1-CD1 4.43Å; I373-L379 HydrophobicContact CD1-CD1 3.97Å; V377-L379 HydrophobicContact CG1-CD2 3.82Å; V377-L379 HydrophobicContact CG1-CG 3.98Å; L379-A382 HydrophobicContact CB-CB 4.31Å; L379-A382 HydrophobicContact CD2-CB 4.31Å; L379-I384 HydrophobicContact CD1-CD1 3.58Å; L379-I384 HydrophobicContact CD2-CD1 4Å; L379-I384 HydrophobicContact CG-CD1 4.43Å; L379-I390 HydrophobicContact CD2-CD1 4.49Å; L379-I396 HydrophobicContact CD2-CB 3.77Å; L379-I396 HydrophobicContact CD2-CD1 3.82Å; L379-I396 HydrophobicContact CD2-CG1 3.88Å
380	D	93.8	Very high	94.5	Very high	58 Å²	58	31.7 Å²	31.7	31%	0.31	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.5	176.7	-174.3	28.4	0	0	0	110.3	S363 A382 I396 R397 Q398	S363-D380 PolarHBondContact OG-OD1 3.48Å; D380-A382 PolarHBondContact O-N 2.98Å; D380-I396 PolarHBondContact N-O 3.06Å; D380-R397 CarbonylContact O-C 3.52Å; D380-R397 VanDerWaalsContact O-CA 3.3Å; D380-R397 WeakPolarHBondContact O-CA 3.26Å; D380-Q398 PolarHBondContact O-N 2.98Å
381	H	92.4	Very high	94.6	Very high	50 Å²	50	29.3 Å²	29.3	23%	0.231	16%	0.163	C	C	.	.	S	Bend	trans	53.9	37	-174.6	-61.1	74.2	0	0	0	113.2	S363 N364 S365 Q398 S399	S363-H381 PolarHBondContact O-N 2.7Å; S363-H381 VanDerWaalsContact O-N 3.16Å; N364-H381 PolarHBondContact ND2-CE1 2.67Å; N364-H381 VanDerWaalsContact O-CA 3.31Å; N364-H381 WeakPolarHBondContact O-CA 3.42Å; S365-H381 PolarHBondContact OG-N 3.34Å; H381-Q398 HydrophobicContact CB-CB 4.24Å; H381-Q398 HydrophobicContact CB-CG 4.37Å; H381-Q398 WeakPolarHBondContact O-CA 3.38Å; H381-S399 PolarHBondContact O-N 3.23Å
382	A	93.4	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.			trans	-96.5	135.2	-178	0	0	0	0	0	111.5	S365 I366 L379 D380 I396	S365-A382 CarbonylContact C-O 3.55Å; S365-A382 VanDerWaalsContact CA-O 3.25Å; S365-A382 WeakPolarHBondContact CA-O 3Å; S365-A382 VanDerWaalsContact CB-O 3.23Å; S365-A382 WeakPolarHBondContact CB-O 3.42Å; S365-A382 PolarHBondContact OG-N 3.01Å; I366-A382 PolarHBondContact N-O 3.35Å; L379-A382 HydrophobicContact CB-CB 4.31Å; L379-A382 HydrophobicContact CD2-CB 4.31Å; D380-A382 PolarHBondContact O-N 2.98Å; A382-I396 HydrophobicContact CB-CB 4.3Å; A382-I396 HydrophobicContact CB-CG2 3.77Å
383	Y	94.7	Very high	94.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	100.7	174.8	-59.9	-70.7	0	0	0	109.2	Y294 D295 S299 I366 S399 V400 V401	Y294-Y383 HydrophobicContact CE1-CD1 4.27Å; Y294-Y383 HydrophobicContact CE1-CD2 4.34Å; Y294-Y383 AromaticContact CE1-CG 3.97Å; Y294-Y383 HydrophobicContact CE1-CG 3.97Å; D295-Y383 WeakPolarHBondContact CA-OH 3.4Å; D295-Y383 HydrophobicContact CB-CE2 3.82Å; D295-Y383 PolarHBondContact O-OH 3.33Å; D295-Y383 PolarHBondContact OD1-OH 2.94Å; S299-Y383 PolarHBondContact OG-OH 3.35Å; I366-Y383 HydrophobicContact CB-CD1 4.09Å; I366-Y383 HydrophobicContact CD1-CD1 4.12Å; I366-Y383 HydrophobicContact CD1-CE1 3.95Å; I366-Y383 HydrophobicContact CG1-CD1 4.16Å; I366-Y383 HydrophobicContact CG1-CE1 4.1Å; Y383-S399 PolarHBondContact N-O 3.36Å; Y383-V400 HydrophobicContact CD2-CG2 4.16Å; Y383-V400 WeakPolarHBondContact O-CA 3.4Å; Y383-V401 PolarHBondContact O-N 2.95Å
384	I	95	Very high	94.5	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.2	-178.6	-62.8	159.1	0	0	0	107.6	I366 I367 G368 L379 V388 I390 V401	I366-I384 PolarHBondContact O-N 3.33Å; I367-I384 CarbonylContact C-O 3.41Å; I367-I384 HydrophobicContact CG1-CD1 4.15Å; I367-I384 HydrophobicContact CG2-CG2 4.47Å; G368-I384 PolarHBondContact N-O 3.05Å; L379-I384 HydrophobicContact CD1-CD1 3.58Å; L379-I384 HydrophobicContact CD2-CD1 4Å; L379-I384 HydrophobicContact CG-CD1 4.43Å; I384-V388 HydrophobicContact CG2-CB 3.64Å; I384-V388 HydrophobicContact CG2-CG1 3.8Å; I384-V388 HydrophobicContact CG2-CG2 3.85Å; I384-I390 HydrophobicContact CD1-CD1 3.49Å; I384-I390 VanDerWaalsContact CD1-CD1 3.49Å; I384-I390 HydrophobicContact CG1-CD1 4.14Å; I384-V401 HydrophobicContact CG1-CB 4.41Å
385	W	94.4	Very high	94.5	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.038	18%	0.179	C	C	.	.			trans	-86.1	-155.3	177.2	-59.7	-12.8	0	0	0	111.8	V47 L56 P57 Y294 G368 C371 V400 V401 C402 D403 Y421	V47-W385 HydrophobicContact CG1-CH2 3.57Å; V47-W385 HydrophobicContact CG1-CZ3 3.96Å; L56-W385 HydrophobicContact CB-CH2 4.36Å; L56-W385 HydrophobicContact CB-CZ2 4.34Å; L56-W385 HydrophobicContact CD1-CH2 4.36Å; L56-W385 HydrophobicContact CD2-CH2 3.61Å; L56-W385 HydrophobicContact CD2-CZ2 4.4Å; L56-W385 HydrophobicContact CD2-CZ3 4.11Å; L56-W385 HydrophobicContact CG-CH2 4.29Å; P57-W385 HydrophobicContact CG-CB 4.24Å; P57-W385 HydrophobicContact CG-CD2 3.65Å; P57-W385 HydrophobicContact CG-CE3 4.26Å; P57-W385 HydrophobicContact CG-CG 3.63Å; P57-W385 HydrophobicContact CG-CZ2 4.45Å; Y294-W385 PolarHBondContact OH-NE1 3.45Å; Y294-W385 VanDerWaalsContact OH-NE1 3.16Å; G368-W385 WeakPolarHBondContact CA-O 3.41Å; C371-W385 PolarHBondContact SG-O 2.63Å; W385-V400 HydrophobicContact CZ2-CG1 4.14Å; W385-V401 PolarHBondContact N-O 2.64Å; W385-C402 HydrophobicContact CD2-CB 4.42Å; W385-C402 VanDerWaalsContact CE3-CA 3.43Å; W385-C402 HydrophobicContact CE3-CB 3.6Å; W385-C402 HydrophobicContact CZ3-CB 3.64Å; W385-C402 WeakPolarHBondContact CZ3-SG 3.1Å; W385-D403 WeakPolarHBondContact CB-OD1 2.99Å; W385-Y421 HydrophobicContact CE3-CE1 4.2Å; W385-Y421 HydrophobicContact CZ3-CE1 4.07Å; W385-Y421 AromaticContact CZ3-CE2 3.95Å; W385-Y421 HydrophobicContact CZ3-CE2 3.95Å; W385-Y421 AromaticContact CZ3-CZ 3.47Å; W385-Y421 VanDerWaalsContact CZ3-CZ 3.47Å; W385-Y421 WeakPolarHBondContact CZ3-OH 2.9Å
386	N	92.7	Very high	94.5	Very high	31 Å²	31	29 Å²	29	17%	0.166	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	154	-166.5	-51.6	-61.4	0	0	0	112.6	D369 V388 D403 K404	D369-N386 PolarHBondContact N-OD1 2.86Å; D369-N386 WeakPolarHBondContact O-CA 3.41Å; N386-V388 PolarHBondContact O-N 3.3Å; N386-D403 PolarHBondContact N-OD1 3.3Å; N386-D403 VanDerWaalsContact O-CA 3.26Å; N386-D403 WeakPolarHBondContact O-CA 3.44Å; N386-K404 PolarHBondContact O-N 3.31Å; N386-K404 VanDerWaalsContact O-N 3.12Å
387	D	93.8	Very high	94.4	Very high	61 Å²	61	31.3 Å²	31.3	33%	0.326	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	33	177	-55.2	-50.5	0	0	0	113.2	D369 N370 K404	D369-D387 PolarHBondContact O-N 2.63Å; N370-D387 VanDerWaalsContact CB-OD1 3.24Å; N370-D387 WeakPolarHBondContact CB-OD1 3.07Å; N370-D387 PolarHBondContact ND2-OD1 3.18Å; D387-K404 HydrophobicContact CB-CG 4.07Å; D387-K404 WeakPolarHBondContact O-CA 3.48Å
388	V	95.2	Very high	94.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.174	C	C	.	.			trans	-90.4	136.3	-178.9	177.7	0	0	0	0	111.1	C371 T372 I384 N386 I390 V401 C402 A405	C371-V388 WeakPolarHBondContact CA-O 3.2Å; C371-V388 PolarHBondContact SG-N 3.02Å; T372-V388 PolarHBondContact N-O 3.26Å; I384-V388 HydrophobicContact CG2-CB 3.64Å; I384-V388 HydrophobicContact CG2-CG1 3.8Å; I384-V388 HydrophobicContact CG2-CG2 3.85Å; N386-V388 PolarHBondContact O-N 3.3Å; V388-I390 HydrophobicContact CG1-CD1 4.43Å; V388-I390 HydrophobicContact CG1-CG1 3.98Å; V388-V401 HydrophobicContact CG1-CG1 3.68Å; V388-V401 HydrophobicContact CG2-CG1 4.21Å; V388-C402 VanDerWaalsContact CG2-O 3.31Å; V388-C402 WeakPolarHBondContact CG2-O 3.28Å; V388-A405 WeakPolarHBondContact CG1-O 3.42Å
389	H	95.3	Very high	94	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.38	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.1	176.8	-60.4	-65.3	0	0	0	111.1	T372 A405 E406 V407	T372-H389 PolarHBondContact OG1-ND1 2.99Å; H389-A405 PolarHBondContact N-O 3.15Å; H389-E406 HydrophobicContact CB-CG 4.27Å; H389-E406 CarbonylContact O-C 3.59Å; H389-E406 WeakPolarHBondContact O-CA 3.49Å; H389-V407 PolarHBondContact O-N 3.24Å
390	I	95.6	Very high	93.9	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120	176.3	-56.8	175.9	0	0	0	108.5	T372 I373 G374 V377 L379 I384 V388 V394 I396	T372-I390 PolarHBondContact O-N 2.92Å; I373-I390 CarbonylContact C-O 3.5Å; I373-I390 HydrophobicContact CG1-CD1 4.42Å; G374-I390 PolarHBondContact N-O 3.33Å; V377-I390 HydrophobicContact CG1-CG2 4.2Å; V377-I390 HydrophobicContact CG2-CG2 4.28Å; L379-I390 HydrophobicContact CD2-CD1 4.49Å; I384-I390 HydrophobicContact CD1-CD1 3.49Å; I384-I390 VanDerWaalsContact CD1-CD1 3.49Å; I384-I390 HydrophobicContact CG1-CD1 4.14Å; V388-I390 HydrophobicContact CG1-CD1 4.43Å; V388-I390 HydrophobicContact CG1-CG1 3.98Å; I390-V394 HydrophobicContact CG2-CB 3.86Å; I390-V394 HydrophobicContact CG2-CG1 3.88Å; I390-V394 HydrophobicContact CG2-CG2 4.09Å; I390-I396 HydrophobicContact CD1-CD1 3.83Å
391	A	94.9	Very high	93.9	Very high	27 Å²	27	27.8 Å²	27.8	22%	0.223	14%	0.142	C	C	.	.			trans	-77.6	-178.5	178.3	0	0	0	0	0	112.8	V377 V394 V407 E409	V377-A391 WeakPolarHBondContact CG2-O 3.42Å; A391-V394 WeakPolarHBondContact O-CG2 3.48Å; A391-V407 VanDerWaalsContact CB-O 3.29Å; A391-V407 WeakPolarHBondContact CB-O 3.38Å; A391-V407 PolarHBondContact N-O 3.27Å; A391-E409 HydrophobicContact CB-CB 4.44Å; A391-E409 HydrophobicContact CB-CG 3.67Å
392	S	94.9	Very high	93.9	Very high	25 Å²	25	25.4 Å²	25.4	18%	0.175	13%	0.131	C	C	.	.	S	Bend	trans	-74.9	154.6	-176.7	-58.6	0	0	0	0	113.2	D375 E409 G410	D375-S392 PolarHBondContact N-OG 2.96Å; D375-S392 CarbonylContact O-C 3.57Å; D375-S392 WeakPolarHBondContact O-CA 3.35Å; D375-S392 WeakPolarHBondContact O-CB 3.48Å; S392-E409 WeakPolarHBondContact O-CA 3.42Å; S392-G410 PolarHBondContact O-N 2.77Å
393	N	93.9	Very high	93.9	Very high	89 Å²	89	26.5 Å²	26.5	48%	0.476	14%	0.136	S	C	.	.	S	Bend	trans	59.8	41.6	179.3	-47.9	-56.8	0	0	0	113.8	D375 N376 G410	D375-N393 PolarHBondContact O-N 3.13Å; N376-N393 PolarHBondContact ND2-OD1 2.96Å; N376-N393 VanDerWaalsContact ND2-OD1 3.15Å; N393-G410 WeakPolarHBondContact O-CA 3.48Å
394	V	94.8	Very high	93.7	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.16	C	C	.	.			trans	-105.1	141.5	178.8	175.1	0	0	0	0	110.6	V377 T378 I390 A391 I396 V407 K408 V411	V377-V394 VanDerWaalsContact CA-O 3.32Å; V377-V394 WeakPolarHBondContact CA-O 3.46Å; V377-V394 HydrophobicContact CG1-CB 4.46Å; V377-V394 WeakPolarHBondContact CG1-O 3.32Å; V377-V394 HydrophobicContact CG2-CB 4.42Å; T378-V394 PolarHBondContact N-O 2.8Å; I390-V394 HydrophobicContact CG2-CB 3.86Å; I390-V394 HydrophobicContact CG2-CG1 3.88Å; I390-V394 HydrophobicContact CG2-CG2 4.09Å; A391-V394 WeakPolarHBondContact O-CG2 3.48Å; V394-I396 HydrophobicContact CG1-CD1 4.21Å; V394-I396 HydrophobicContact CG1-CG1 3.8Å; V394-V407 HydrophobicContact CG1-CG1 3.85Å; V394-V407 HydrophobicContact CG2-CG1 4.1Å; V394-K408 WeakPolarHBondContact CG2-O 3.45Å; V394-V411 WeakPolarHBondContact CA-O 3.26Å; V394-V411 WeakPolarHBondContact CG1-O 3.4Å; V394-V411 HydrophobicContact CG2-CB 4.44Å
395	A	94.4	Very high	93.6	Very high	23 Å²	23	31.9 Å²	31.9	19%	0.19	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.5	171.9	0	0	0	0	0	110.3	T378 V411 T412 L413	T378-A395 WeakPolarHBondContact O-CA 3.28Å; A395-V411 PolarHBondContact N-O 3.14Å; A395-V411 VanDerWaalsContact N-O 3.13Å; A395-T412 HydrophobicContact CB-CG2 4.37Å; A395-L413 PolarHBondContact O-N 3.13Å
396	I	94.5	Very high	93.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.6	178.3	-51.6	-174.4	0	0	0	109.1	T378 L379 D380 A382 I390 V394 V401 L413	T378-I396 PolarHBondContact O-N 3.19Å; L379-I396 HydrophobicContact CD2-CB 3.77Å; L379-I396 HydrophobicContact CD2-CD1 3.82Å; L379-I396 HydrophobicContact CD2-CG1 3.88Å; D380-I396 PolarHBondContact N-O 3.06Å; A382-I396 HydrophobicContact CB-CB 4.3Å; A382-I396 HydrophobicContact CB-CG2 3.77Å; I390-I396 HydrophobicContact CD1-CD1 3.83Å; V394-I396 HydrophobicContact CG1-CD1 4.21Å; V394-I396 HydrophobicContact CG1-CG1 3.8Å; I396-V401 HydrophobicContact CD1-CG2 4.39Å; I396-L413 HydrophobicContact CB-CB 4.49Å; I396-L413 HydrophobicContact CB-CD1 4.48Å; I396-L413 HydrophobicContact CD1-CD1 3.94Å; I396-L413 HydrophobicContact CG1-CB 4.44Å; I396-L413 HydrophobicContact CG1-CD1 3.89Å; I396-L413 HydrophobicContact CG1-CG 4.34Å; I396-L413 HydrophobicContact CG2-CB 4.23Å; I396-L413 HydrophobicContact CG2-CD1 4.03Å
397	R	92.6	Very high	93.5	Very high	124 Å²	124	33.3 Å²	33.3	47%	0.468	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.3	178.2	-64.7	-179.7	179	155	0.7	110.5	D380 S399 L413 N414 K415	D380-R397 CarbonylContact O-C 3.52Å; D380-R397 VanDerWaalsContact O-CA 3.3Å; D380-R397 WeakPolarHBondContact O-CA 3.26Å; R397-S399 VanDerWaalsContact C-N 3.31Å; R397-S399 PolarHBondContact O-N 2.88Å; R397-S399 VanDerWaalsContact O-N 3.16Å; R397-S399 PolarHBondContact O-OG 3.39Å; R397-L413 PolarHBondContact N-O 2.9Å; R397-L413 VanDerWaalsContact N-O 3.17Å; R397-N414 CarbonylContact O-C 3.56Å; R397-N414 VanDerWaalsContact O-O 3.09Å; R397-K415 HydrophobicContact CB-CG 4.43Å; R397-K415 WeakPolarHBondContact O-CA 3.28Å
398	Q	90.8	Very high	93.5	Very high	46 Å²	46	33.1 Å²	33.1	22%	0.215	16%	0.162	C	C	.	.	S	Bend	trans	41.4	54.1	173.5	-159.1	178.3	-1.6	0	0	113.4	D295 D380 H381 K415 Q416 W504	D295-Q398 PolarHBondContact OD2-NE2 3Å; D295-Q398 VanDerWaalsContact OD2-NE2 3.07Å; D380-Q398 PolarHBondContact O-N 2.98Å; H381-Q398 HydrophobicContact CB-CB 4.24Å; H381-Q398 HydrophobicContact CB-CG 4.37Å; H381-Q398 WeakPolarHBondContact O-CA 3.38Å; Q398-K415 HydrophobicContact CB-CB 4.37Å; Q398-K415 HydrophobicContact CB-CG 4.38Å; Q398-Q416 VanDerWaalsContact O-CA 3.28Å; Q398-Q416 WeakPolarHBondContact O-CA 3.47Å; Q398-Q416 PolarHBondContact O-N 3.4Å; Q398-W504 HydrophobicContact CG-CH2 4.5Å
399	S	92.6	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.			trans	-135.6	152.1	-171.1	-66.6	0	0	0	0	111.2	H381 Y383 R397 N414 C417	H381-S399 PolarHBondContact O-N 3.23Å; Y383-S399 PolarHBondContact N-O 3.36Å; R397-S399 VanDerWaalsContact C-N 3.31Å; R397-S399 PolarHBondContact O-N 2.88Å; R397-S399 VanDerWaalsContact O-N 3.16Å; R397-S399 PolarHBondContact O-OG 3.39Å; S399-N414 PolarHBondContact OG-O 3.26Å; S399-C417 CarbonylContact C-O 3.58Å; S399-C417 WeakPolarHBondContact CA-O 3.44Å; S399-C417 VanDerWaalsContact CB-O 3.23Å; S399-C417 WeakPolarHBondContact CB-O 2.93Å; S399-C417 WeakPolarHBondContact OG-CB 3.44Å; S399-C417 PolarHBondContact OG-N 3.36Å
400	V	92.9	Very high	93	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.8	176.5	-175.2	0	0	0	0	109.9	L291 Y383 W385 C417 V418 L419 W504	L291-V400 HydrophobicContact CD1-CG2 4.31Å; L291-V400 HydrophobicContact CD2-CG2 4.36Å; Y383-V400 HydrophobicContact CD2-CG2 4.16Å; Y383-V400 WeakPolarHBondContact O-CA 3.4Å; W385-V400 HydrophobicContact CZ2-CG1 4.14Å; V400-C417 PolarHBondContact N-O 3.41Å; V400-V418 HydrophobicContact CB-CG1 4.41Å; V400-V418 WeakPolarHBondContact O-CA 3.48Å; V400-L419 PolarHBondContact O-N 3.24Å; V400-W504 HydrophobicContact CG2-CH2 4.14Å; V400-W504 HydrophobicContact CG2-CZ2 4.07Å
401	V	93.6	Very high	92.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.7	178.2	-175.7	0	0	0	0	108.4	Y383 I384 W385 V388 I396 A405 L413 L419	Y383-V401 PolarHBondContact O-N 2.95Å; I384-V401 HydrophobicContact CG1-CB 4.41Å; W385-V401 PolarHBondContact N-O 2.64Å; V388-V401 HydrophobicContact CG1-CG1 3.68Å; V388-V401 HydrophobicContact CG2-CG1 4.21Å; I396-V401 HydrophobicContact CD1-CG2 4.39Å; V401-A405 HydrophobicContact CG1-CB 3.56Å; V401-L413 HydrophobicContact CG2-CD1 4.4Å; V401-L419 HydrophobicContact CG1-CD1 4.31Å; V401-L419 HydrophobicContact CG2-CD1 4.12Å
402	C	92.8	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.			trans	-77	175.8	-175.2	-59.5	0	0	0	0	112.8	W385 V388 A405 L419 Y421	W385-C402 HydrophobicContact CD2-CB 4.42Å; W385-C402 VanDerWaalsContact CE3-CA 3.43Å; W385-C402 HydrophobicContact CE3-CB 3.6Å; W385-C402 HydrophobicContact CZ3-CB 3.64Å; W385-C402 WeakPolarHBondContact CZ3-SG 3.1Å; V388-C402 VanDerWaalsContact CG2-O 3.31Å; V388-C402 WeakPolarHBondContact CG2-O 3.28Å; C402-A405 WeakPolarHBondContact O-CB 3.38Å; C402-A405 PolarHBondContact O-N 2.92Å; C402-L419 WeakPolarHBondContact CB-O 3.33Å; C402-L419 PolarHBondContact N-O 3.05Å; C402-L419 PolarHBondContact SG-O 3.48Å; C402-Y421 HydrophobicContact CB-CD1 4.26Å; C402-Y421 HydrophobicContact CB-CD2 4.13Å; C402-Y421 HydrophobicContact CB-CE1 4.43Å; C402-Y421 HydrophobicContact CB-CE2 4.3Å; C402-Y421 HydrophobicContact CB-CG 4.13Å
403	D	92.1	Very high	92.5	Very high	22 Å²	22	35.6 Å²	35.6	12%	0.118	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	143.3	-173.5	-60.8	-28	0	0	0	112.2	W385 N386 A405 Y421 N422	W385-D403 WeakPolarHBondContact CB-OD1 2.99Å; N386-D403 PolarHBondContact N-OD1 3.3Å; N386-D403 VanDerWaalsContact O-CA 3.26Å; N386-D403 WeakPolarHBondContact O-CA 3.44Å; D403-A405 PolarHBondContact O-N 3.21Å; D403-A405 VanDerWaalsContact O-N 3.17Å; D403-Y421 HydrophobicContact CB-CD1 3.76Å; D403-Y421 HydrophobicContact CB-CE1 3.84Å; D403-N422 PolarHBondContact O-N 3.29Å
404	K	91.4	Very high	92.3	Very high	118 Å²	118	33.2 Å²	33.2	51%	0.513	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	19	176.3	-56.8	175.3	-179.9	175.4	0	115.1	N386 D387 N422	N386-K404 PolarHBondContact O-N 3.31Å; N386-K404 VanDerWaalsContact O-N 3.12Å; D387-K404 HydrophobicContact CB-CG 4.07Å; D387-K404 WeakPolarHBondContact O-CA 3.48Å; K404-N422 WeakPolarHBondContact CB-OD1 3.5Å; K404-N422 WeakPolarHBondContact CD-OD1 3.45Å
405	A	91.9	Very high	92.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.			trans	-72.9	146.1	172.3	0	0	0	0	0	111.2	V388 H389 V401 C402 D403 V423	V388-A405 WeakPolarHBondContact CG1-O 3.42Å; H389-A405 PolarHBondContact N-O 3.15Å; V401-A405 HydrophobicContact CG1-CB 3.56Å; C402-A405 WeakPolarHBondContact O-CB 3.38Å; C402-A405 PolarHBondContact O-N 2.92Å; D403-A405 PolarHBondContact O-N 3.21Å; D403-A405 VanDerWaalsContact O-N 3.17Å; A405-V423 CarbonylContact C-O 3.51Å; A405-V423 VanDerWaalsContact CA-O 3.3Å; A405-V423 WeakPolarHBondContact CA-O 3.41Å
406	E	93.1	Very high	91.7	Very high	68 Å²	68	39.4 Å²	39.4	32%	0.318	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.9	174.6	-59.6	-173.4	-168.8	0	0	111.2	H389 K408 V423 V424 I425	H389-E406 HydrophobicContact CB-CG 4.27Å; H389-E406 CarbonylContact O-C 3.59Å; H389-E406 WeakPolarHBondContact O-CA 3.49Å; E406-K408 IonicContact OE2-NZ 2.73Å; E406-K408 PolarHBondContact OE2-NZ 3.48Å; E406-V423 PolarHBondContact N-O 3Å; E406-V424 HydrophobicContact CB-CB 4.46Å; E406-V424 HydrophobicContact CB-CG1 4.14Å; E406-V424 HydrophobicContact CB-CG2 4.09Å; E406-V424 HydrophobicContact CG-CG2 4.37Å; E406-V424 CarbonylContact O-C 3.57Å; E406-V424 WeakPolarHBondContact O-CA 3.39Å; E406-I425 PolarHBondContact O-N 3.3Å
407	V	93.4	Very high	91.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114	175.2	-175.6	0	0	0	0	108.7	H389 A391 V394 V411 L419	H389-V407 PolarHBondContact O-N 3.24Å; A391-V407 VanDerWaalsContact CB-O 3.29Å; A391-V407 WeakPolarHBondContact CB-O 3.38Å; A391-V407 PolarHBondContact N-O 3.27Å; V394-V407 HydrophobicContact CG1-CG1 3.85Å; V394-V407 HydrophobicContact CG2-CG1 4.1Å; V407-V411 HydrophobicContact CG1-CB 3.65Å; V407-V411 HydrophobicContact CG1-CG1 3.72Å; V407-V411 HydrophobicContact CG1-CG2 4.07Å; V407-L419 HydrophobicContact CG2-CD1 4Å
408	K	92.9	Very high	91.3	Very high	58 Å²	58	33.4 Å²	33.4	25%	0.252	16%	0.164	S	C	.	.			trans	-77.4	177.7	-179.7	-60.4	-59.4	-170.6	-157	0	112.4	V394 E406 V411 I425 P427	V394-K408 WeakPolarHBondContact CG2-O 3.45Å; E406-K408 IonicContact OE2-NZ 2.73Å; E406-K408 PolarHBondContact OE2-NZ 3.48Å; K408-V411 VanDerWaalsContact O-CG2 3.27Å; K408-V411 WeakPolarHBondContact O-CG2 3.48Å; K408-I425 VanDerWaalsContact CB-O 3.22Å; K408-I425 WeakPolarHBondContact CB-O 3.39Å; K408-I425 WeakPolarHBondContact CG-O 3.44Å; K408-I425 PolarHBondContact N-O 3.14Å; K408-I425 VanDerWaalsContact N-O 3.12Å; K408-P427 HydrophobicContact CB-CB 4.15Å
409	E	92.4	Very high	91.3	Very high	118 Å²	118	31.3 Å²	31.3	55%	0.551	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	143.8	-171.6	-63.7	-178.3	178.4	0	0	113	A391 S392 V411 P427 N428	A391-E409 HydrophobicContact CB-CB 4.44Å; A391-E409 HydrophobicContact CB-CG 3.67Å; S392-E409 WeakPolarHBondContact O-CA 3.42Å; E409-V411 VanDerWaalsContact C-N 3.28Å; E409-V411 PolarHBondContact O-N 3.48Å; E409-P427 CarbonylContact O-C 3.45Å; E409-P427 VanDerWaalsContact O-CA 3.23Å; E409-P427 WeakPolarHBondContact O-CA 3.43Å; E409-P427 WeakPolarHBondContact O-CB 3.32Å; E409-N428 PolarHBondContact O-N 3.15Å
410	G	88.4	Confident	91.1	Very high	24 Å²	24	31.3 Å²	31.3	25%	0.247	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	17.2	174.4	0	0	0	0	0	114.8	S392 N393 N428	S392-G410 PolarHBondContact O-N 2.77Å; N393-G410 WeakPolarHBondContact O-CA 3.48Å; G410-N428 WeakPolarHBondContact O-CA 3.17Å
411	V	91.7	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.			trans	-82.3	138.7	178.6	174.4	0	0	0	0	111.3	V394 A395 V407 K408 E409 L413 I425 G426 M429	V394-V411 WeakPolarHBondContact CA-O 3.26Å; V394-V411 WeakPolarHBondContact CG1-O 3.4Å; V394-V411 HydrophobicContact CG2-CB 4.44Å; A395-V411 PolarHBondContact N-O 3.14Å; A395-V411 VanDerWaalsContact N-O 3.13Å; V407-V411 HydrophobicContact CG1-CB 3.65Å; V407-V411 HydrophobicContact CG1-CG1 3.72Å; V407-V411 HydrophobicContact CG1-CG2 4.07Å; K408-V411 VanDerWaalsContact O-CG2 3.27Å; K408-V411 WeakPolarHBondContact O-CG2 3.48Å; E409-V411 VanDerWaalsContact C-N 3.28Å; E409-V411 PolarHBondContact O-N 3.48Å; V411-L413 HydrophobicContact CG1-CD2 4.04Å; V411-L413 HydrophobicContact CG1-CG 4.27Å; V411-I425 HydrophobicContact CG1-CD1 4.39Å; V411-I425 HydrophobicContact CG1-CG2 3.96Å; V411-I425 HydrophobicContact CG2-CG2 3.85Å; V411-G426 WeakPolarHBondContact CG2-O 3.27Å; V411-M429 CarbonylContact C-O 3.19Å; V411-M429 VanDerWaalsContact CA-O 3.24Å; V411-M429 WeakPolarHBondContact CA-O 3.22Å
412	T	91.9	Very high	90.7	Very high	49 Å²	49	35.7 Å²	35.7	30%	0.301	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.5	171.7	-56.2	0	0	0	0	110	A395 M429 S430 L431	A395-T412 HydrophobicContact CB-CG2 4.37Å; T412-M429 PolarHBondContact N-O 3.2Å; T412-S430 WeakPolarHBondContact O-CA 3.32Å; T412-L431 PolarHBondContact O-N 2.97Å
413	L	91.5	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.9	171.6	-58.3	-179.2	0	0	0	108.6	A395 I396 R397 V401 V411 L419 I425 L431	A395-L413 PolarHBondContact O-N 3.13Å; I396-L413 HydrophobicContact CB-CB 4.49Å; I396-L413 HydrophobicContact CB-CD1 4.48Å; I396-L413 HydrophobicContact CD1-CD1 3.94Å; I396-L413 HydrophobicContact CG1-CB 4.44Å; I396-L413 HydrophobicContact CG1-CD1 3.89Å; I396-L413 HydrophobicContact CG1-CG 4.34Å; I396-L413 HydrophobicContact CG2-CB 4.23Å; I396-L413 HydrophobicContact CG2-CD1 4.03Å; R397-L413 PolarHBondContact N-O 2.9Å; R397-L413 VanDerWaalsContact N-O 3.17Å; V401-L413 HydrophobicContact CG2-CD1 4.4Å; V411-L413 HydrophobicContact CG1-CD2 4.04Å; V411-L413 HydrophobicContact CG1-CG 4.27Å; L413-L419 HydrophobicContact CD1-CD1 3.84Å; L413-I425 HydrophobicContact CD2-CD1 3.72Å; L413-L431 HydrophobicContact CD2-CB 4.15Å; L413-L431 HydrophobicContact CD2-CD1 3.59Å; L413-L431 HydrophobicContact CD2-CG 3.93Å
414	N	89.8	Confident	90.4	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	17%	0.174	C	C	.	.			trans	-74.8	-179.9	173.1	-68.9	-49.3	0	0	0	110.7	R397 S399 C417 L431 E433	R397-N414 CarbonylContact O-C 3.56Å; R397-N414 VanDerWaalsContact O-O 3.09Å; S399-N414 PolarHBondContact OG-O 3.26Å; N414-C417 PolarHBondContact O-SG 2.9Å; N414-L431 WeakPolarHBondContact CB-O 3.09Å; N414-L431 PolarHBondContact ND2-O 2.85Å; N414-E433 HydrophobicContact CB-CG 3.75Å
415	K	88.6	Confident	90.3	Very high	105 Å²	105	29.7 Å²	29.7	46%	0.457	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	148.5	-174.5	-62.2	178.4	-178.4	177.1	0	112	R397 Q398 C417 E433 G434	R397-K415 HydrophobicContact CB-CG 4.43Å; R397-K415 WeakPolarHBondContact O-CA 3.28Å; Q398-K415 HydrophobicContact CB-CB 4.37Å; Q398-K415 HydrophobicContact CB-CG 4.38Å; K415-C417 PolarHBondContact O-N 2.91Å; K415-E433 HydrophobicContact CB-CG 4.32Å; K415-E433 VanDerWaalsContact O-CA 3.23Å; K415-E433 WeakPolarHBondContact O-CA 3.43Å; K415-G434 PolarHBondContact O-N 2.95Å; K415-G434 VanDerWaalsContact O-N 3.1Å
416	Q	87.1	Confident	90.1	Very high	50 Å²	50	29.7 Å²	29.7	23%	0.234	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	24.4	173.8	-61.3	177.6	-25.1	0	0	114.3	Q398 G434 W504	Q398-Q416 VanDerWaalsContact O-CA 3.28Å; Q398-Q416 WeakPolarHBondContact O-CA 3.47Å; Q398-Q416 PolarHBondContact O-N 3.4Å; Q416-G434 WeakPolarHBondContact O-CA 3.39Å; Q416-W504 HydrophobicContact CB-CD2 3.97Å; Q416-W504 HydrophobicContact CB-CG 3.92Å; Q416-W504 HydrophobicContact CB-CZ2 4.41Å; Q416-W504 HydrophobicContact CG-CD2 3.84Å; Q416-W504 HydrophobicContact CG-CE3 4.18Å; Q416-W504 HydrophobicContact CG-CG 3.99Å; Q416-W504 PolarHBondContact O-NE1 3.47Å
417	C	89.1	Confident	89.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.			trans	-79.2	145	172.5	-61.2	0	0	0	0	110.8	S399 V400 N414 K415 P432 T435	S399-C417 CarbonylContact C-O 3.58Å; S399-C417 WeakPolarHBondContact CA-O 3.44Å; S399-C417 VanDerWaalsContact CB-O 3.23Å; S399-C417 WeakPolarHBondContact CB-O 2.93Å; S399-C417 WeakPolarHBondContact OG-CB 3.44Å; S399-C417 PolarHBondContact OG-N 3.36Å; V400-C417 PolarHBondContact N-O 3.41Å; N414-C417 PolarHBondContact O-SG 2.9Å; K415-C417 PolarHBondContact O-N 2.91Å; C417-P432 PolarHBondContact SG-O 3.04Å; C417-T435 CarbonylContact C-O 3.52Å; C417-T435 VanDerWaalsContact CA-O 3.29Å; C417-T435 WeakPolarHBondContact CA-O 3.37Å
418	V	90.3	Very high	89.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.8	176.9	-176.2	0	0	0	0	109.9	V47 L291 V400 T435 V436 V437 L503 W504	V47-V418 HydrophobicContact CG2-CG1 3.83Å; L291-V418 HydrophobicContact CD1-CG2 3.37Å; V400-V418 HydrophobicContact CB-CG1 4.41Å; V400-V418 WeakPolarHBondContact O-CA 3.48Å; V418-T435 PolarHBondContact N-O 2.99Å; V418-V436 HydrophobicContact CB-CG1 4.26Å; V418-V436 HydrophobicContact CB-CG2 4.22Å; V418-V436 CarbonylContact O-C 3.59Å; V418-V436 WeakPolarHBondContact O-CA 3.16Å; V418-V437 PolarHBondContact O-N 3.25Å; V418-L503 HydrophobicContact CB-CD2 3.96Å; V418-L503 HydrophobicContact CG1-CD2 3.91Å; V418-L503 HydrophobicContact CG2-CD2 3.7Å; V418-W504 HydrophobicContact CG2-CZ2 4.17Å
419	L	90.6	Very high	89.2	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.1	174.7	-51.3	-177.8	0	0	0	108.3	V400 V401 C402 V407 L413 I425 L431 V437	V400-L419 PolarHBondContact O-N 3.24Å; V401-L419 HydrophobicContact CG1-CD1 4.31Å; V401-L419 HydrophobicContact CG2-CD1 4.12Å; C402-L419 WeakPolarHBondContact CB-O 3.33Å; C402-L419 PolarHBondContact N-O 3.05Å; C402-L419 PolarHBondContact SG-O 3.48Å; V407-L419 HydrophobicContact CG2-CD1 4Å; L413-L419 HydrophobicContact CD1-CD1 3.84Å; L419-I425 HydrophobicContact CD1-CD1 3.39Å; L419-I425 HydrophobicContact CD1-CG1 4.22Å; L419-I425 HydrophobicContact CD2-CD1 3.63Å; L419-I425 HydrophobicContact CD2-CG1 4.35Å; L419-I425 HydrophobicContact CG-CD1 4.14Å; L419-L431 HydrophobicContact CD2-CD1 4.01Å; L419-V437 HydrophobicContact CD2-CB 4.03Å; L419-V437 HydrophobicContact CD2-CG2 4.03Å
420	A	88.5	Confident	88.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-73.1	-176.4	177.3	0	0	0	0	0	111.8	V423 V437	A420-V423 HydrophobicContact CB-CG2 4.4Å; A420-V423 WeakPolarHBondContact O-CG2 3.27Å; A420-V437 WeakPolarHBondContact CB-O 3.37Å; A420-V437 PolarHBondContact N-O 3.28Å
421	Y	88.4	Confident	88.8	Confident	11 Å²	11	31.1 Å²	31.1	4%	0.043	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	139.7	-172	-64.5	-96	0	0	0	112.9	V47 D50 Q51 W385 C402 D403 V423 M439	V47-Y421 HydrophobicContact CG1-CE2 3.87Å; V47-Y421 WeakPolarHBondContact O-CE2 3.34Å; D50-Y421 HydrophobicContact CB-CD2 3.32Å; D50-Y421 HydrophobicContact CB-CE2 3.68Å; D50-Y421 HydrophobicContact CB-CG 3.79Å; D50-Y421 VanDerWaalsContact OD2-CD2 3.32Å; D50-Y421 WeakPolarHBondContact OD2-CD2 3.18Å; Q51-Y421 WeakPolarHBondContact CB-OH 3.25Å; Q51-Y421 HydrophobicContact CG-CE1 4.15Å; Q51-Y421 WeakPolarHBondContact CG-OH 3.34Å; W385-Y421 HydrophobicContact CE3-CE1 4.2Å; W385-Y421 HydrophobicContact CZ3-CE1 4.07Å; W385-Y421 AromaticContact CZ3-CE2 3.95Å; W385-Y421 HydrophobicContact CZ3-CE2 3.95Å; W385-Y421 AromaticContact CZ3-CZ 3.47Å; W385-Y421 VanDerWaalsContact CZ3-CZ 3.47Å; W385-Y421 WeakPolarHBondContact CZ3-OH 2.9Å; C402-Y421 HydrophobicContact CB-CD1 4.26Å; C402-Y421 HydrophobicContact CB-CD2 4.13Å; C402-Y421 HydrophobicContact CB-CE1 4.43Å; C402-Y421 HydrophobicContact CB-CE2 4.3Å; C402-Y421 HydrophobicContact CB-CG 4.13Å; D403-Y421 HydrophobicContact CB-CD1 3.76Å; D403-Y421 HydrophobicContact CB-CE1 3.84Å; Y421-V423 PolarHBondContact O-N 2.94Å; Y421-V423 VanDerWaalsContact O-N 3.12Å; Y421-M439 WeakPolarHBondContact O-CG 3.35Å
422	N	88.6	Confident	88.5	Confident	82 Å²	82	35.1 Å²	35.1	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	17.8	177.9	-47.9	-67	0	0	0	115.6	D403 K404 M439	D403-N422 PolarHBondContact O-N 3.29Å; K404-N422 WeakPolarHBondContact CB-OD1 3.5Å; K404-N422 WeakPolarHBondContact CD-OD1 3.45Å; N422-M439 HydrophobicContact CB-CG 4.49Å
423	V	89.1	Confident	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.			trans	-73.8	138.4	177	170.2	0	0	0	0	110.1	A405 E406 A420 Y421 I425 V437 M439 K482	A405-V423 CarbonylContact C-O 3.51Å; A405-V423 VanDerWaalsContact CA-O 3.3Å; A405-V423 WeakPolarHBondContact CA-O 3.41Å; E406-V423 PolarHBondContact N-O 3Å; A420-V423 HydrophobicContact CB-CG2 4.4Å; A420-V423 WeakPolarHBondContact O-CG2 3.27Å; Y421-V423 PolarHBondContact O-N 2.94Å; Y421-V423 VanDerWaalsContact O-N 3.12Å; V423-I425 HydrophobicContact CG1-CG1 4.47Å; V423-V437 HydrophobicContact CG1-CB 4.12Å; V423-V437 HydrophobicContact CG1-CG1 3.56Å; V423-V437 HydrophobicContact CG2-CG1 4.27Å; V423-M439 HydrophobicContact CG2-CG 4.14Å; V423-K482 WeakPolarHBondContact CA-O 3.06Å
424	V	89.8	Confident	87.7	Confident	12 Å²	12	40.6 Å²	40.6	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.2	173.4	-177.2	0	0	0	0	108.8	E406 G481 K482	E406-V424 HydrophobicContact CB-CB 4.46Å; E406-V424 HydrophobicContact CB-CG1 4.14Å; E406-V424 HydrophobicContact CB-CG2 4.09Å; E406-V424 HydrophobicContact CG-CG2 4.37Å; E406-V424 CarbonylContact O-C 3.57Å; E406-V424 WeakPolarHBondContact O-CA 3.39Å; V424-G481 CarbonylContact O-C 3.48Å; V424-G481 WeakPolarHBondContact O-CA 3.35Å; V424-K482 HydrophobicContact CB-CB 4.05Å; V424-K482 HydrophobicContact CB-CG 4.33Å; V424-K482 HydrophobicContact CG2-CB 4.22Å; V424-K482 HydrophobicContact CG2-CD 4.21Å; V424-K482 HydrophobicContact CG2-CG 4.4Å; V424-K482 PolarHBondContact N-O 3.08Å; V424-K482 PolarHBondContact O-N 2.59Å
425	I	89.2	Confident	87.5	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.8	171.6	-56.1	177.1	0	0	0	109	E406 K408 V411 L413 L419 V423 M429 L431	E406-I425 PolarHBondContact O-N 3.3Å; K408-I425 VanDerWaalsContact CB-O 3.22Å; K408-I425 WeakPolarHBondContact CB-O 3.39Å; K408-I425 WeakPolarHBondContact CG-O 3.44Å; K408-I425 PolarHBondContact N-O 3.14Å; K408-I425 VanDerWaalsContact N-O 3.12Å; V411-I425 HydrophobicContact CG1-CD1 4.39Å; V411-I425 HydrophobicContact CG1-CG2 3.96Å; V411-I425 HydrophobicContact CG2-CG2 3.85Å; L413-I425 HydrophobicContact CD2-CD1 3.72Å; L419-I425 HydrophobicContact CD1-CD1 3.39Å; L419-I425 HydrophobicContact CD1-CG1 4.22Å; L419-I425 HydrophobicContact CD2-CD1 3.63Å; L419-I425 HydrophobicContact CD2-CG1 4.35Å; L419-I425 HydrophobicContact CG-CD1 4.14Å; V423-I425 HydrophobicContact CG1-CG1 4.47Å; I425-M429 HydrophobicContact CG2-CB 4.14Å; I425-M429 HydrophobicContact CG2-CG 4.41Å; I425-M429 HydrophobicContact CG2-SD 4.12Å; I425-L431 HydrophobicContact CD1-CD1 3.78Å
426	G	87.4	Confident	87.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-65.1	163.9	176.6	0	0	0	0	0	113.8	V411 V477	V411-G426 WeakPolarHBondContact CG2-O 3.27Å; G426-V477 WeakPolarHBondContact CA-O 3.27Å; G426-V477 PolarHBondContact N-O 3.31Å
427	P	88.8	Confident	87.3	Confident	50 Å²	50	33 Å²	33	33%	0.325	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	152.2	-173.9	28.2	-34.9	0	0	0	113.1	K408 E409 M429	K408-P427 HydrophobicContact CB-CB 4.15Å; E409-P427 CarbonylContact O-C 3.45Å; E409-P427 VanDerWaalsContact O-CA 3.23Å; E409-P427 WeakPolarHBondContact O-CA 3.43Å; E409-P427 WeakPolarHBondContact O-CB 3.32Å; P427-M429 VanDerWaalsContact C-N 3.34Å; P427-M429 PolarHBondContact O-N 3.38Å
428	N	86.7	Confident	87.2	Confident	138 Å²	138	33 Å²	33	74%	0.738	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	32.7	176.2	-54.7	-57.7	0	0	0	115.5	E409 G410	E409-N428 PolarHBondContact O-N 3.15Å; G410-N428 WeakPolarHBondContact O-CA 3.17Å
429	M	84.9	Confident	86.8	Confident	29 Å²	29	34.7 Å²	34.7	14%	0.143	20%	0.203	C	C	.	.			trans	-102.8	141.8	178.2	-177.9	164.6	-95.9	0	0	112	V411 T412 I425 P427 L431 A475 E476 V477	V411-M429 CarbonylContact C-O 3.19Å; V411-M429 VanDerWaalsContact CA-O 3.24Å; V411-M429 WeakPolarHBondContact CA-O 3.22Å; T412-M429 PolarHBondContact N-O 3.2Å; I425-M429 HydrophobicContact CG2-CB 4.14Å; I425-M429 HydrophobicContact CG2-CG 4.41Å; I425-M429 HydrophobicContact CG2-SD 4.12Å; P427-M429 VanDerWaalsContact C-N 3.34Å; P427-M429 PolarHBondContact O-N 3.38Å; M429-L431 HydrophobicContact CG-CD2 4.01Å; M429-L431 HydrophobicContact SD-CD2 3.85Å; M429-A475 WeakPolarHBondContact CE-O 3.41Å; M429-E476 VanDerWaalsContact CE-C 3.44Å; M429-E476 WeakPolarHBondContact CE-O 3.28Å; M429-V477 VanDerWaalsContact SD-CA 3.56Å
430	S	86.5	Confident	86.1	Confident	76 Å²	76	36.6 Å²	36.6	53%	0.531	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.5	169.9	-179.8	0	0	0	0	109.1	T412	T412-S430 WeakPolarHBondContact O-CA 3.32Å
431	L	86	Confident	85.2	Confident	7 Å²	7	39 Å²	39	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.5	176.5	-64.5	-171.2	0	0	0	110.5	T412 L413 N414 L419 I425 M429 V437	T412-L431 PolarHBondContact O-N 2.97Å; L413-L431 HydrophobicContact CD2-CB 4.15Å; L413-L431 HydrophobicContact CD2-CD1 3.59Å; L413-L431 HydrophobicContact CD2-CG 3.93Å; N414-L431 WeakPolarHBondContact CB-O 3.09Å; N414-L431 PolarHBondContact ND2-O 2.85Å; L419-L431 HydrophobicContact CD2-CD1 4.01Å; I425-L431 HydrophobicContact CD1-CD1 3.78Å; M429-L431 HydrophobicContact CG-CD2 4.01Å; M429-L431 HydrophobicContact SD-CD2 3.85Å; L431-V437 HydrophobicContact CD1-CG2 4.08Å
432	P	86	Confident	83.8	Confident	84 Å²	84	40.2 Å²	40.2	55%	0.545	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-69.6	164.6	176.4	25.5	-27.5	0	0	0	111.9	C417 T435	C417-P432 PolarHBondContact SG-O 3.04Å; P432-T435 VanDerWaalsContact CD-OG1 3.24Å; P432-T435 WeakPolarHBondContact CD-OG1 3.37Å; P432-T435 VanDerWaalsContact CG-OG1 3.26Å; P432-T435 WeakPolarHBondContact CG-OG1 3.35Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.9Å; P432-T435 PolarHBondContact O-OG1 2.99Å
433	E	85.6	Confident	82.1	Confident	128 Å²	128	42.2 Å²	42.2	60%	0.598	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	140.5	179.7	-64	-175.4	164.5	0	0	111.4	N414 K415 T435	N414-E433 HydrophobicContact CB-CG 3.75Å; K415-E433 HydrophobicContact CB-CG 4.32Å; K415-E433 VanDerWaalsContact O-CA 3.23Å; K415-E433 WeakPolarHBondContact O-CA 3.43Å; E433-T435 VanDerWaalsContact C-N 3.29Å; E433-T435 PolarHBondContact O-N 2.89Å
434	G	80.5	Confident	80.3	Confident	37 Å²	37	46.3 Å²	46.3	38%	0.381	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.4	178.8	0	0	0	0	0	115.8	K415 Q416 V436	K415-G434 PolarHBondContact O-N 2.95Å; K415-G434 VanDerWaalsContact O-N 3.1Å; Q416-G434 WeakPolarHBondContact O-CA 3.39Å; G434-V436 PolarHBondContact O-N 3.12Å
435	T	85.3	Confident	78.4	Confident	18 Å²	18	48.4 Å²	48.4	11%	0.11	27%	0.271	C	S	.	.			trans	-71.5	127.1	-179.2	-52.8	0	0	0	0	111.4	C417 V418 P432 E433 V437 V485	C417-T435 CarbonylContact C-O 3.52Å; C417-T435 VanDerWaalsContact CA-O 3.29Å; C417-T435 WeakPolarHBondContact CA-O 3.37Å; V418-T435 PolarHBondContact N-O 2.99Å; P432-T435 VanDerWaalsContact CD-OG1 3.24Å; P432-T435 WeakPolarHBondContact CD-OG1 3.37Å; P432-T435 VanDerWaalsContact CG-OG1 3.26Å; P432-T435 WeakPolarHBondContact CG-OG1 3.35Å; P432-T435 WeakPolarHBondContact O-CB 3.43Å; P432-T435 PolarHBondContact O-N 2.9Å; P432-T435 PolarHBondContact O-OG1 2.99Å; E433-T435 VanDerWaalsContact C-N 3.29Å; E433-T435 PolarHBondContact O-N 2.89Å; T435-V437 HydrophobicContact CG2-CG2 4.02Å; T435-V485 HydrophobicContact CG2-CG1 4.13Å; T435-V485 HydrophobicContact CG2-CG2 4.34Å
436	V	86.1	Confident	76.2	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.8	172.7	-176.5	0	0	0	0	109	P46 V418 G434 V485 W486 L503	P46-V436 VanDerWaalsContact CD-CG1 3.47Å; P46-V436 HydrophobicContact CG-CG1 3.77Å; V418-V436 HydrophobicContact CB-CG1 4.26Å; V418-V436 HydrophobicContact CB-CG2 4.22Å; V418-V436 CarbonylContact O-C 3.59Å; V418-V436 WeakPolarHBondContact O-CA 3.16Å; G434-V436 PolarHBondContact O-N 3.12Å; V436-V485 CarbonylContact O-C 3.45Å; V436-V485 WeakPolarHBondContact O-CA 3.4Å; V436-W486 HydrophobicContact CB-CB 4.06Å; V436-W486 HydrophobicContact CG1-CB 3.88Å; V436-W486 HydrophobicContact CG1-CG 4.43Å; V436-W486 PolarHBondContact O-N 3.19Å; V436-L503 HydrophobicContact CG1-CD2 4.31Å; V436-L503 HydrophobicContact CG2-CD2 4.01Å
437	V	86.2	Confident	73.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.1	179.3	-173	0	0	0	0	109.4	V418 L419 A420 V423 L431 T435 V477 Y484 V485	V418-V437 PolarHBondContact O-N 3.25Å; L419-V437 HydrophobicContact CD2-CB 4.03Å; L419-V437 HydrophobicContact CD2-CG2 4.03Å; A420-V437 WeakPolarHBondContact CB-O 3.37Å; A420-V437 PolarHBondContact N-O 3.28Å; V423-V437 HydrophobicContact CG1-CB 4.12Å; V423-V437 HydrophobicContact CG1-CG1 3.56Å; V423-V437 HydrophobicContact CG2-CG1 4.27Å; L431-V437 HydrophobicContact CD1-CG2 4.08Å; T435-V437 HydrophobicContact CG2-CG2 4.02Å; V437-V477 HydrophobicContact CG1-CG1 3.9Å; V437-Y484 WeakPolarHBondContact CA-O 2.97Å; V437-V485 HydrophobicContact CG2-CG2 4.49Å
438	S	86.7	Confident	71.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.1	-176.4	-175.9	0	0	0	0	113.1	P46 H440 G483 Y484	P46-S438 WeakPolarHBondContact CB-OG 3.36Å; P46-S438 VanDerWaalsContact CG-CB 3.48Å; S438-H440 VanDerWaalsContact C-N 3.34Å; S438-H440 PolarHBondContact OG-CD2 3.22Å; S438-H440 PolarHBondContact OG-N 2.93Å; S438-G483 CarbonylContact O-C 3.55Å; S438-G483 WeakPolarHBondContact O-CA 3.43Å; S438-Y484 PolarHBondContact N-O 3.23Å; S438-Y484 PolarHBondContact O-N 3.05Å
439	M	81.1	Confident	69.5	Low	36 Å²	36	63.3 Å²	63.3	18%	0.177	34%	0.339	C	S	.	.	S	Bend	trans	-84.3	-12.2	173.5	-70.3	-62.8	-67.4	0	0	113.5	Y421 N422 V423 F472 K482	Y421-M439 WeakPolarHBondContact O-CG 3.35Å; N422-M439 HydrophobicContact CB-CG 4.49Å; V423-M439 HydrophobicContact CG2-CG 4.14Å; M439-F472 HydrophobicContact CE-CE1 4.14Å; M439-F472 HydrophobicContact CE-CZ 4.04Å; M439-F472 HydrophobicContact SD-CE1 4.44Å; M439-K482 HydrophobicContact CE-CB 4.39Å; M439-K482 HydrophobicContact SD-CB 4.1Å
440	H	77.7	Confident	67.3	Low	42 Å²	42	64.5 Å²	64.5	19%	0.194	35%	0.353	C	S	.	.	S	Bend	trans	-81.7	130.1	176.8	-61.8	-70.7	0	0	0	109.6	K49 D50 S438 W486	K49-H440 HydrophobicContact CD-CB 4.19Å; D50-H440 IonicContact OD1-CE1 2.66Å; D50-H440 IonicContact OD1-NE2 3.18Å; D50-H440 PolarHBondContact OD1-NE2 2.86Å; D50-H440 IonicContact OD2-CD2 3.98Å; D50-H440 IonicContact OD2-NE2 3.94Å; D50-H440 PolarHBondContact OD2-NE2 2.89Å; S438-H440 VanDerWaalsContact C-N 3.34Å; S438-H440 PolarHBondContact OG-CD2 3.22Å; S438-H440 PolarHBondContact OG-N 2.93Å; H440-W486 HydrophobicContact CB-CZ3 4.29Å
441	H	67.8	Low	65.1	Low	52 Å²	52	66.5 Å²	66.5	24%	0.241	36%	0.357	C	S	.	.			trans	-79.6	140.2	178.1	-163.5	-83.2	0	0	0	109.6	D443 E444 Y484	H441-D443 VanDerWaalsContact C-N 3.32Å; H441-D443 IonicContact CE1-OD1 3.7Å; H441-D443 IonicContact CE1-OD2 2.64Å; H441-D443 PolarHBondContact CE1-OD2 2.66Å; H441-D443 WeakPolarHBondContact ND1-CB 3.4Å; H441-D443 PolarHBondContact ND1-N 3.45Å; H441-D443 IonicContact ND1-OD1 3.38Å; H441-D443 IonicContact ND1-OD2 3.54Å; H441-D443 PolarHBondContact O-N 3.43Å; H441-E444 HydrophobicContact CB-CG 4.05Å; H441-E444 PolarHBondContact N-OE2 3.49Å; H441-E444 PolarHBondContact O-N 2.91Å; H441-Y484 HydrophobicContact CB-CD2 4.49Å; H441-Y484 AromaticContact CD2-CD1 3.79Å; H441-Y484 AromaticContact CD2-CE1 3.6Å; H441-Y484 AromaticContact CD2-CE2 4Å; H441-Y484 AromaticContact CD2-CZ 3.71Å
442	P	60.9	Low	63.1	Low	35 Å²	35	74.3 Å²	74.3	23%	0.227	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.9	-40.8	175.7	19.5	-29.5	0	0	0	112.5	E444 E445	P442-E444 VanDerWaalsContact C-N 3.26Å; P442-E444 PolarHBondContact O-N 3.15Å; P442-E445 VanDerWaalsContact O-CG 3.27Å; P442-E445 WeakPolarHBondContact O-CG 3.44Å; P442-E445 PolarHBondContact O-N 3.2Å
443	D	51.8	Low	61.1	Low	125 Å²	125	77 Å²	77	67%	0.668	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-72.3	-2.3	178.7	-48.5	-6.4	0	0	0	115.9	H441 E445	H441-D443 VanDerWaalsContact C-N 3.32Å; H441-D443 IonicContact CE1-OD1 3.7Å; H441-D443 IonicContact CE1-OD2 2.64Å; H441-D443 PolarHBondContact CE1-OD2 2.66Å; H441-D443 WeakPolarHBondContact ND1-CB 3.4Å; H441-D443 PolarHBondContact ND1-N 3.45Å; H441-D443 IonicContact ND1-OD1 3.38Å; H441-D443 IonicContact ND1-OD2 3.54Å; H441-D443 PolarHBondContact O-N 3.43Å; D443-E445 PolarHBondContact O-N 2.91Å
444	E	52.5	Low	58.6	Low	85 Å²	85	78.4 Å²	78.4	40%	0.397	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-76.3	-2.2	172.3	-78	170.2	169.4	0	0	111.9	H441 P442 E446	H441-E444 HydrophobicContact CB-CG 4.05Å; H441-E444 PolarHBondContact N-OE2 3.49Å; H441-E444 PolarHBondContact O-N 2.91Å; P442-E444 VanDerWaalsContact C-N 3.26Å; P442-E444 PolarHBondContact O-N 3.15Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 2.94Å
445	E	48.5	Very low	56.2	Low	57 Å²	57	81.4 Å²	81.4	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-24.1	178.3	-72.1	178.9	178.1	0	0	114.3	P442 D443 W486	P442-E445 VanDerWaalsContact O-CG 3.27Å; P442-E445 WeakPolarHBondContact O-CG 3.44Å; P442-E445 PolarHBondContact O-N 3.2Å; D443-E445 PolarHBondContact O-N 2.91Å; E445-W486 VanDerWaalsContact OE1-CH2 3.24Å; E445-W486 WeakPolarHBondContact OE1-CH2 3.05Å
446	E	42.4	Very low	54	Low	152 Å²	152	88.3 Å²	88.3	71%	0.71	46%	0.459	S	S	*	.	H	α-helix	trans	-87.9	-25.4	-176.4	-68.7	-173.5	-176.5	0	0	114.8	E444	E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 2.94Å
447	E	38.1	Very low	51.5	Low	138 Å²	138	95.3 Å²	95.3	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-95.9	-36.9	-175.3	-74.1	-175.3	167.5	0	0	112.7	D451	E447-D451 WeakPolarHBondContact O-CB 3.4Å; E447-D451 PolarHBondContact O-N 3.2Å
448	D	40.7	Very low	49.3	Very low	106 Å²	106	100 Å²	100	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-82.4	-30.5	-174.2	-72.1	-22.9	0	0	0	113.5	A450	D448-A450 VanDerWaalsContact C-N 3.32Å; D448-A450 PolarHBondContact O-N 3.07Å
449	D	43.5	Very low	46.6	Very low	107 Å²	107	109.1 Å²	109.1	57%	0.572	58%	0.578	S	S	*	*	H	α-helix	trans	-74.3	-20.7	179.7	-84.4	0.6	0	0	0	112.6	R42	R42-D449 IonicContact NH2-OD2 3.88Å
450	A	40.1	Very low	44.7	Very low	53 Å²	53	115.1 Å²	115.1	44%	0.438	62%	0.616	S	S	.	*	H	α-helix	trans	-96.4	-37.1	179	0	0	0	0	0	113.6	D448	D448-A450 VanDerWaalsContact C-N 3.32Å; D448-A450 PolarHBondContact O-N 3.07Å
451	D	39.2	Very low	42.3	Very low	118 Å²	118	116.2 Å²	116.2	63%	0.631	64%	0.639	S	S	*	*	H	α-helix	trans	-91.2	-18.4	-170.8	-79.4	-18.7	0	0	0	114.5	E447 F453	E447-D451 WeakPolarHBondContact O-CB 3.4Å; E447-D451 PolarHBondContact O-N 3.2Å; D451-F453 VanDerWaalsContact C-N 3.28Å
452	E	45	Very low	40.5	Very low	172 Å²	172	122.1 Å²	122.1	80%	0.804	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-7.9	172.4	-147.6	172.2	-154.3	0	0	112.6
453	F	43.8	Very low	39.1	Very low	140 Å²	140	126.2 Å²	126.2	61%	0.614	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-2.8	-178.5	-129.6	-93.3	0	0	0	115	D451	D451-F453 VanDerWaalsContact C-N 3.28Å
454	L	33.1	Very low	38	Very low	157 Å²	157	129 Å²	129	82%	0.822	70%	0.702	S	S	*	*	S	Bend	trans	-136.3	11.6	-173.4	-75	178.8	0	0	0	117.3
455	S	30.8	Very low	37.1	Very low	100 Å²	100	132 Å²	132	70%	0.699	72%	0.721	S	S	*	*			trans	-109.8	71.6	176.7	57.9	0	0	0	0	113.7	D457	S455-D457 VanDerWaalsContact C-N 3.33Å; S455-D457 PolarHBondContact O-N 3.29Å
456	D	38	Very low	36.3	Very low	164 Å²	164	138 Å²	138	88%	0.877	75%	0.746	S	S	*	*			trans	-79.1	83.1	157.3	-153.8	18.7	0	0	0	107.7
457	D	34.3	Very low	35.7	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	75%	0.75	S	S	*	*			trans	-167.8	127.9	151.8	-104.1	-27.9	0	0	0	113.1	S455 E459	S455-D457 VanDerWaalsContact C-N 3.33Å; S455-D457 PolarHBondContact O-N 3.29Å; D457-E459 PolarHBondContact O-N 3.47Å
458	A	40.5	Very low	35.6	Very low	101 Å²	101	138.3 Å²	138.3	84%	0.835	75%	0.754	S	S	*	*			trans	-71.6	112.4	179.3	0	0	0	0	0	112.1
459	E	29.4	Very low	35.2	Very low	191 Å²	191	141.7 Å²	141.7	89%	0.893	77%	0.766	S	S	*	*			trans	-143.9	116.9	151.2	-109.6	-174	-177.3	0	0	112	D457 G461	D457-E459 PolarHBondContact O-N 3.47Å; E459-G461 PolarHBondContact O-N 3.47Å; E459-G461 VanDerWaalsContact O-N 3.14Å
460	V	41.1	Very low	35.2	Very low	162 Å²	162	141.7 Å²	141.7	98%	0.982	76%	0.761	S	S	*	*			trans	-68.4	104	171.3	175.2	0	0	0	0	108.4
461	G	27.6	Very low	35.4	Very low	65 Å²	65	146 Å²	146	67%	0.67	78%	0.775	S	S	*	*			trans	-153.6	89	-177.4	0	0	0	0	0	114.7	E459	E459-G461 PolarHBondContact O-N 3.47Å; E459-G461 VanDerWaalsContact O-N 3.14Å
462	Q	29.6	Very low	36.3	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	76%	0.755	S	S	*	*			trans	46	102.9	153.7	-65.1	179.6	4.2	0	0	118.3	K464	Q462-K464 PolarHBondContact O-N 2.72Å
463	S	31.1	Very low	37	Very low	121 Å²	121	138 Å²	138	85%	0.846	74%	0.736	S	S	*	*			trans	-43.9	103.5	156.1	54.7	0	0	0	0	111.6
464	K	29.3	Very low	37.7	Very low	185 Å²	185	135.3 Å²	135.3	80%	0.804	73%	0.733	S	S	*	*			trans	-89.2	102.1	160.3	-81.8	-176.9	178.1	171.8	0	107.8	Q462 K466	Q462-K464 PolarHBondContact O-N 2.72Å; K464-K466 PolarHBondContact O-N 3.29Å
465	D	33.3	Very low	39	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	73%	0.725	S	S	*	*			trans	-42.9	101.1	157.8	-89.8	-39.9	0	0	0	109.8
466	K	32.4	Very low	40.5	Very low	184 Å²	184	130.3 Å²	130.3	80%	0.8	71%	0.708	S	S	*	*			trans	-96.7	76.1	156.7	-76	-175.5	-177.2	170.9	0	107.2	K464 K468	K464-K466 PolarHBondContact O-N 3.29Å; K466-K468 PolarHBondContact O-N 2.97Å
467	T	29.7	Very low	41.8	Very low	128 Å²	128	122.6 Å²	122.6	79%	0.785	67%	0.666	S	S	*	*			trans	-61.4	75.8	154.1	30.2	0	0	0	0	109	Q469	T467-Q469 PolarHBondContact O-N 3.06Å
468	K	36	Very low	43.3	Very low	168 Å²	168	115.4 Å²	115.4	73%	0.73	63%	0.63	S	S	*	*			trans	-65.1	116.3	152.3	-79.4	-179.5	178.5	173.6	0	104.7	K466 K470	K466-K468 PolarHBondContact O-N 2.97Å; K468-K470 PolarHBondContact O-N 3.49Å
469	Q	32	Very low	44.1	Very low	177 Å²	177	115.2 Å²	115.2	83%	0.827	63%	0.629	S	S	*	*			trans	-54.6	109.5	174	-81.8	173.2	-30.7	0	0	107.9	T467 I471	T467-Q469 PolarHBondContact O-N 3.06Å; Q469-I471 PolarHBondContact O-N 2.94Å
470	K	43.6	Very low	45.9	Very low	107 Å²	107	111.8 Å²	111.8	47%	0.465	61%	0.613	S	S	.	*			trans	-62.8	98.1	171.9	-66.2	-168.6	175.7	-159	0	107.3	K468 F472	K468-K470 PolarHBondContact O-N 3.49Å; K470-F472 HydrophobicContact CB-CE1 4.02Å; K470-F472 HydrophobicContact CB-CE2 3.98Å; K470-F472 HydrophobicContact CB-CZ 3.61Å; K470-F472 HydrophobicContact CD-CE1 4.4Å; K470-F472 HydrophobicContact CD-CZ 4.12Å; K470-F472 HydrophobicContact CG-CZ 4.48Å; K470-F472 WeakPolarHBondContact O-CD2 3.41Å; K470-F472 PolarHBondContact O-N 2.68Å
471	I	44.4	Very low	47.3	Very low	142 Å²	142	104.4 Å²	104.4	73%	0.728	57%	0.569	S	S	*	*			trans	-77.9	107.5	173	-59.5	171.4	0	0	0	105.3	Q469 Y484	Q469-I471 PolarHBondContact O-N 2.94Å; I471-Y484 PolarHBondContact O-OH 3.19Å
472	F	56.5	Low	49.7	Very low	47 Å²	47	106.4 Å²	106.4	21%	0.206	56%	0.559	C	S	.	*			trans	-84.7	137.6	175.3	-58.3	-70.6	0	0	0	109.2	M439 K470 P474 V477 K482 G483 Y484	M439-F472 HydrophobicContact CE-CE1 4.14Å; M439-F472 HydrophobicContact CE-CZ 4.04Å; M439-F472 HydrophobicContact SD-CE1 4.44Å; K470-F472 HydrophobicContact CB-CE1 4.02Å; K470-F472 HydrophobicContact CB-CE2 3.98Å; K470-F472 HydrophobicContact CB-CZ 3.61Å; K470-F472 HydrophobicContact CD-CE1 4.4Å; K470-F472 HydrophobicContact CD-CZ 4.12Å; K470-F472 HydrophobicContact CG-CZ 4.48Å; K470-F472 WeakPolarHBondContact O-CD2 3.41Å; K470-F472 PolarHBondContact O-N 2.68Å; F472-P474 WeakPolarHBondContact O-CD 3.47Å; F472-V477 HydrophobicContact CB-CG2 4.34Å; F472-K482 HydrophobicContact CD2-CB 4.45Å; F472-K482 HydrophobicContact CD2-CG 4.16Å; F472-K482 HydrophobicContact CE1-CB 4.27Å; F472-K482 HydrophobicContact CE2-CB 4.16Å; F472-K482 HydrophobicContact CE2-CD 4.48Å; F472-K482 HydrophobicContact CE2-CG 3.87Å; F472-K482 HydrophobicContact CZ-CB 4.05Å; F472-K482 HydrophobicContact CZ-CG 4.23Å; F472-G483 VanDerWaalsContact CD1-N 3.32Å; F472-Y484 HydrophobicContact CD1-CE2 4.13Å; F472-Y484 AromaticContact CD1-CZ 4Å; F472-Y484 AromaticContact CE1-CE2 3.99Å; F472-Y484 HydrophobicContact CE1-CE2 3.99Å
473	N	60	Low	51.7	Low	77 Å²	77	98.1 Å²	98.1	41%	0.412	52%	0.521	S	S	.	.			trans	-75.4	108.7	179.6	-167.4	-3.8	0	0	0	110.1	A475 E476 V477	N473-A475 PolarHBondContact O-N 2.99Å; N473-A475 VanDerWaalsContact O-N 3.09Å; N473-A475 PolarHBondContact OD1-N 2.91Å; N473-E476 PolarHBondContact O-N 3.1Å; N473-E476 VanDerWaalsContact O-N 3.13Å; N473-V477 WeakPolarHBondContact O-CG2 3.5Å; N473-V477 PolarHBondContact O-N 3.3Å
474	P	60.1	Low	53.8	Low	83 Å²	83	93.9 Å²	93.9	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-66.9	-16.2	-175.1	-17.8	33.4	0	0	0	112.9	F472 E476 G478	F472-P474 WeakPolarHBondContact O-CD 3.47Å; P474-E476 VanDerWaalsContact C-N 3.34Å; P474-G478 CarbonylContact O-C 3.54Å; P474-G478 WeakPolarHBondContact O-CA 2.83Å; P474-G478 PolarHBondContact O-N 3.31Å
475	A	58.8	Low	56.1	Low	80 Å²	80	86.6 Å²	86.6	66%	0.661	46%	0.457	S	S	*	.	H	α-helix	trans	-72.3	-26.9	177.3	0	0	0	0	0	113	M429 N473	M429-A475 WeakPolarHBondContact CE-O 3.41Å; N473-A475 PolarHBondContact O-N 2.99Å; N473-A475 VanDerWaalsContact O-N 3.09Å; N473-A475 PolarHBondContact OD1-N 2.91Å
476	E	62	Low	57.7	Low	71 Å²	71	81 Å²	81	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-105.9	-28.1	-172.7	-66.9	-176.7	169.6	0	0	113.3	M429 N473 P474 V485	M429-E476 VanDerWaalsContact CE-C 3.44Å; M429-E476 WeakPolarHBondContact CE-O 3.28Å; N473-E476 PolarHBondContact O-N 3.1Å; N473-E476 VanDerWaalsContact O-N 3.13Å; P474-E476 VanDerWaalsContact C-N 3.34Å; E476-V485 HydrophobicContact CB-CG2 3.81Å; E476-V485 HydrophobicContact CG-CG2 4.29Å
477	V	65.4	Low	59.2	Low	2 Å²	2	78.8 Å²	78.8	1%	0.012	42%	0.416	C	S	.	.	H	α-helix	trans	-120.9	-4.9	178.3	-65.1	0	0	0	0	114.3	G426 M429 V437 F472 N473 G481 G483	G426-V477 WeakPolarHBondContact CA-O 3.27Å; G426-V477 PolarHBondContact N-O 3.31Å; M429-V477 VanDerWaalsContact SD-CA 3.56Å; V437-V477 HydrophobicContact CG1-CG1 3.9Å; F472-V477 HydrophobicContact CB-CG2 4.34Å; N473-V477 WeakPolarHBondContact O-CG2 3.5Å; N473-V477 PolarHBondContact O-N 3.3Å; V477-G481 VanDerWaalsContact O-CA 3.27Å; V477-G481 WeakPolarHBondContact O-CA 3.28Å; V477-G483 WeakPolarHBondContact CG1-O 3.32Å
478	G	67.3	Low	60.4	Low	10 Å²	10	77.3 Å²	77.3	10%	0.103	41%	0.408	C	S	.	.			trans	91.7	170.6	177.6	0	0	0	0	0	113.9	P474 E480 G481	P474-G478 CarbonylContact O-C 3.54Å; P474-G478 WeakPolarHBondContact O-CA 2.83Å; P474-G478 PolarHBondContact O-N 3.31Å; G478-E480 PolarHBondContact O-N 3.11Å; G478-G481 PolarHBondContact O-N 3.21Å
479	A	56.7	Low	60.7	Low	97 Å²	97	71.5 Å²	71.5	80%	0.802	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.9	-172.3	0	0	0	0	0	115.3
480	E	66.8	Low	60.9	Low	120 Å²	120	67.1 Å²	67.1	56%	0.561	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	8.3	175.3	-61.8	-175.7	176.9	0	0	112.4	G478	G478-E480 PolarHBondContact O-N 3.11Å
481	G	70.4	Confident	60.4	Low	6 Å²	6	67.8 Å²	67.8	6%	0.062	41%	0.406	C	S	.	.			trans	-73.7	143.1	-174.9	0	0	0	0	0	112.7	V424 V477 G478	V424-G481 CarbonylContact O-C 3.48Å; V424-G481 WeakPolarHBondContact O-CA 3.35Å; V477-G481 VanDerWaalsContact O-CA 3.27Å; V477-G481 WeakPolarHBondContact O-CA 3.28Å; G478-G481 PolarHBondContact O-N 3.21Å
482	K	77.8	Confident	59.7	Low	107 Å²	107	67.9 Å²	67.9	47%	0.465	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-126	111.9	172.5	-61.9	-179.4	-175.7	171.1	0	107.9	V423 V424 M439 F472	V423-K482 WeakPolarHBondContact CA-O 3.06Å; V424-K482 HydrophobicContact CB-CB 4.05Å; V424-K482 HydrophobicContact CB-CG 4.33Å; V424-K482 HydrophobicContact CG2-CB 4.22Å; V424-K482 HydrophobicContact CG2-CD 4.21Å; V424-K482 HydrophobicContact CG2-CG 4.4Å; V424-K482 PolarHBondContact N-O 3.08Å; V424-K482 PolarHBondContact O-N 2.59Å; M439-K482 HydrophobicContact CE-CB 4.39Å; M439-K482 HydrophobicContact SD-CB 4.1Å; F472-K482 HydrophobicContact CD2-CB 4.45Å; F472-K482 HydrophobicContact CD2-CG 4.16Å; F472-K482 HydrophobicContact CE1-CB 4.27Å; F472-K482 HydrophobicContact CE2-CB 4.16Å; F472-K482 HydrophobicContact CE2-CD 4.48Å; F472-K482 HydrophobicContact CE2-CG 3.87Å; F472-K482 HydrophobicContact CZ-CB 4.05Å; F472-K482 HydrophobicContact CZ-CG 4.23Å
483	G	73.3	Confident	58.6	Low	1 Å²	1	73.6 Å²	73.6	1%	0.01	44%	0.441	C	S	.	.			trans	156	161	-179.9	0	0	0	0	0	111.2	S438 F472 V477	S438-G483 CarbonylContact O-C 3.55Å; S438-G483 WeakPolarHBondContact O-CA 3.43Å; F472-G483 VanDerWaalsContact CD1-N 3.32Å; V477-G483 WeakPolarHBondContact CG1-O 3.32Å
484	Y	74.8	Confident	57.4	Low	33 Å²	33	76.2 Å²	76.2	13%	0.129	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.8	171.9	-61.3	-77.1	0	0	0	107.5	V437 S438 H441 I471 F472 W486	V437-Y484 WeakPolarHBondContact CA-O 2.97Å; S438-Y484 PolarHBondContact N-O 3.23Å; S438-Y484 PolarHBondContact O-N 3.05Å; H441-Y484 HydrophobicContact CB-CD2 4.49Å; H441-Y484 AromaticContact CD2-CD1 3.79Å; H441-Y484 AromaticContact CD2-CE1 3.6Å; H441-Y484 AromaticContact CD2-CE2 4Å; H441-Y484 AromaticContact CD2-CZ 3.71Å; I471-Y484 PolarHBondContact O-OH 3.19Å; F472-Y484 HydrophobicContact CD1-CE2 4.13Å; F472-Y484 AromaticContact CD1-CZ 4Å; F472-Y484 AromaticContact CE1-CE2 3.99Å; F472-Y484 HydrophobicContact CE1-CE2 3.99Å; Y484-W486 PolarHBondContact O-N 3.33Å
485	V	76.7	Confident	56.1	Low	31 Å²	31	81.4 Å²	81.4	19%	0.188	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.3	170.4	175.6	0	0	0	0	107.3	T435 V436 V437 E476 K487	T435-V485 HydrophobicContact CG2-CG1 4.13Å; T435-V485 HydrophobicContact CG2-CG2 4.34Å; V436-V485 CarbonylContact O-C 3.45Å; V436-V485 WeakPolarHBondContact O-CA 3.4Å; V437-V485 HydrophobicContact CG2-CG2 4.49Å; E476-V485 HydrophobicContact CB-CG2 3.81Å; E476-V485 HydrophobicContact CG-CG2 4.29Å; V485-K487 PolarHBondContact O-N 3.2Å
486	W	68.3	Low	54.8	Low	30 Å²	30	86.3 Å²	86.3	11%	0.114	49%	0.487	C	S	.	.			trans	-73.8	110.6	176.2	-173.8	-90.6	0	0	0	108.3	P46 V436 H440 E445 Y484	P46-W486 HydrophobicContact CB-CD2 3.89Å; P46-W486 HydrophobicContact CB-CE3 3.84Å; P46-W486 HydrophobicContact CB-CG 4.39Å; P46-W486 HydrophobicContact CB-CZ3 4.25Å; P46-W486 HydrophobicContact CG-CB 4.12Å; P46-W486 HydrophobicContact CG-CD2 3.94Å; P46-W486 HydrophobicContact CG-CE3 4.21Å; P46-W486 HydrophobicContact CG-CG 3.9Å; V436-W486 HydrophobicContact CB-CB 4.06Å; V436-W486 HydrophobicContact CG1-CB 3.88Å; V436-W486 HydrophobicContact CG1-CG 4.43Å; V436-W486 PolarHBondContact O-N 3.19Å; H440-W486 HydrophobicContact CB-CZ3 4.29Å; E445-W486 VanDerWaalsContact OE1-CH2 3.24Å; E445-W486 WeakPolarHBondContact OE1-CH2 3.05Å; Y484-W486 PolarHBondContact O-N 3.33Å
487	K	63.6	Low	53.2	Low	138 Å²	138	92.6 Å²	92.6	60%	0.6	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-99.2	129.7	164	-65	-179	-176.6	174.5	0	106.2	V485 G489	V485-K487 PolarHBondContact O-N 3.2Å; K487-G489 PolarHBondContact O-N 3.01Å; K487-G489 VanDerWaalsContact O-N 3.08Å
488	P	54.5	Low	51.7	Low	96 Å²	96	100.4 Å²	100.4	62%	0.623	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-54.4	121.9	168.2	22.6	-28.9	0	0	0	107.1	G490	P488-G490 PolarHBondContact O-N 2.66Å
489	G	42.2	Very low	50.3	Low	47 Å²	47	104.2 Å²	104.2	49%	0.485	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-55.9	121.5	-179	0	0	0	0	0	109.4	K487 L491	K487-G489 PolarHBondContact O-N 3.01Å; K487-G489 VanDerWaalsContact O-N 3.08Å; G489-L491 PolarHBondContact O-N 3.03Å
490	G	36	Very low	49.3	Very low	85 Å²	85	105 Å²	105	88%	0.876	57%	0.57	S	S	*	*			trans	-83.3	103	161.1	0	0	0	0	0	106.7	P488	P488-G490 PolarHBondContact O-N 2.66Å
491	L	33.3	Very low	48.4	Very low	120 Å²	120	101.9 Å²	101.9	63%	0.628	56%	0.555	S	S	*	*			trans	-121.4	122.3	170.7	-89	160.4	0	0	0	108.6	G489	G489-L491 PolarHBondContact O-N 3.03Å
492	D	28.7	Very low	47.2	Very low	145 Å²	145	104.9 Å²	104.9	78%	0.775	57%	0.574	S	S	*	*			trans	44.6	114.5	167	-81.4	-15.4	0	0	0	120.6	T494	D492-T494 PolarHBondContact O-N 2.97Å
493	D	35	Very low	46.1	Very low	166 Å²	166	100.6 Å²	100.6	89%	0.888	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46	94.1	152	-67.9	-41.3	0	0	0	109.8
494	T	33.4	Very low	44.9	Very low	133 Å²	133	101.1 Å²	101.1	82%	0.816	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.8	-21	133.4	21.6	0	0	0	0	116.6	D492	D492-T494 PolarHBondContact O-N 2.97Å
495	E	33	Very low	43.7	Very low	191 Å²	191	99.9 Å²	99.9	89%	0.893	56%	0.555	S	S	*	*	S	Bend	trans	-144.9	15.1	-178.1	-69.6	-167.4	166.3	0	0	117.7
496	E	31.3	Very low	42.1	Very low	183 Å²	183	102.1 Å²	102.1	86%	0.855	57%	0.565	S	S	*	*			trans	-132	69.1	172.5	-73.9	-170.5	166.7	0	0	112.8
497	E	28	Very low	40.5	Very low	203 Å²	203	104.4 Å²	104.4	95%	0.949	58%	0.582	S	S	*	*			trans	-78.8	-3.2	159.6	-96.1	-173.8	163.5	0	0	112.7	L499	E497-L499 PolarHBondContact O-N 3.22Å
498	E	34.6	Very low	39	Very low	166 Å²	166	104 Å²	104	78%	0.776	59%	0.586	S	S	*	*	S	Bend	trans	-87.6	95.9	173.2	-74	-170.2	171	0	0	111.1
499	L	38	Very low	37.7	Very low	90 Å²	90	105.4 Å²	105.4	47%	0.471	59%	0.588	S	S	.	*			trans	86.6	80	149.8	-52.5	162	0	0	0	116.6	E497 Q501	E497-L499 PolarHBondContact O-N 3.22Å; L499-Q501 HydrophobicContact CB-CB 4.26Å; L499-Q501 HydrophobicContact CB-CG 3.77Å; L499-Q501 HydrophobicContact CD2-CG 3.97Å; L499-Q501 HydrophobicContact CG-CG 4.29Å; L499-Q501 PolarHBondContact O-N 3.28Å
500	S	36.3	Very low	37.2	Very low	114 Å²	114	108.7 Å²	108.7	80%	0.797	60%	0.602	S	S	*	*			trans	-65.4	63.3	146.1	51.2	0	0	0	0	110.3	C502	S500-C502 PolarHBondContact O-N 2.9Å
501	Q	47	Very low	36.8	Very low	55 Å²	55	111.3 Å²	111.3	26%	0.257	60%	0.595	S	S	.	*			trans	-75.4	107.7	-178.7	-95.5	167.8	11.5	0	0	109.6	L499	L499-Q501 HydrophobicContact CB-CB 4.26Å; L499-Q501 HydrophobicContact CB-CG 3.77Å; L499-Q501 HydrophobicContact CD2-CG 3.97Å; L499-Q501 HydrophobicContact CG-CG 4.29Å; L499-Q501 PolarHBondContact O-N 3.28Å
502	C	45.7	Very low	37	Very low	69 Å²	69	111.2 Å²	111.2	47%	0.466	60%	0.602	S	S	.	*			trans	-52.8	144.8	166.1	-73.5	0	0	0	0	110.2	S500 W504 G505 V507	S500-C502 PolarHBondContact O-N 2.9Å; C502-W504 PolarHBondContact O-N 2.87Å; C502-G505 WeakPolarHBondContact CB-O 3.18Å; C502-G505 WeakPolarHBondContact O-CA 3.36Å; C502-G505 PolarHBondContact O-N 3.33Å; C502-V507 HydrophobicContact CB-CG2 4.37Å
503	L	54.7	Low	37.1	Very low	16 Å²	16	113.2 Å²	113.2	8%	0.084	61%	0.606	C	S	.	*	T	Hydrogen-bonded Turn	trans	-53.1	-19.7	177.3	-178.8	59.8	0	0	0	113.8	R43 F44 L291 V418 V436	R43-L503 WeakPolarHBondContact O-CD1 3.32Å; F44-L503 HydrophobicContact CB-CD1 4.49Å; L291-L503 WeakPolarHBondContact CB-O 3.34Å; L291-L503 HydrophobicContact CD1-CB 4.48Å; L291-L503 HydrophobicContact CD1-CD1 4.15Å; L291-L503 HydrophobicContact CD1-CD2 3.66Å; L291-L503 HydrophobicContact CD1-CG 3.42Å; L291-L503 VanDerWaalsContact CD1-CG 3.42Å; L291-L503 HydrophobicContact CG-CD1 4.03Å; L291-L503 HydrophobicContact CG-CD2 4.43Å; L291-L503 HydrophobicContact CG-CG 3.77Å; L291-L503 WeakPolarHBondContact CG-O 3.3Å; L291-L503 PolarHBondContact N-O 3.48Å; L291-L503 VanDerWaalsContact N-O 3.16Å; V418-L503 HydrophobicContact CB-CD2 3.96Å; V418-L503 HydrophobicContact CG1-CD2 3.91Å; V418-L503 HydrophobicContact CG2-CD2 3.7Å; V436-L503 HydrophobicContact CG1-CD2 4.31Å; V436-L503 HydrophobicContact CG2-CD2 4.01Å
504	W	48.2	Very low	36.9	Very low	13 Å²	13	110.6 Å²	110.6	5%	0.049	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	6.2	176.2	-69.8	92.3	0	0	0	115	L291 D295 Q398 V400 Q416 V418 C502	L291-W504 HydrophobicContact CB-CD2 3.66Å; L291-W504 HydrophobicContact CB-CE3 3.64Å; L291-W504 HydrophobicContact CB-CG 4.22Å; L291-W504 HydrophobicContact CB-CH2 4.25Å; L291-W504 HydrophobicContact CB-CZ2 4.26Å; L291-W504 HydrophobicContact CB-CZ3 3.95Å; L291-W504 HydrophobicContact CD1-CD2 4.07Å; L291-W504 HydrophobicContact CD1-CG 4.46Å; L291-W504 HydrophobicContact CD1-CH2 4.48Å; L291-W504 HydrophobicContact CD1-CZ2 3.81Å; D295-W504 HydrophobicContact CB-CZ3 4.19Å; Q398-W504 HydrophobicContact CG-CH2 4.5Å; V400-W504 HydrophobicContact CG2-CH2 4.14Å; V400-W504 HydrophobicContact CG2-CZ2 4.07Å; Q416-W504 HydrophobicContact CB-CD2 3.97Å; Q416-W504 HydrophobicContact CB-CG 3.92Å; Q416-W504 HydrophobicContact CB-CZ2 4.41Å; Q416-W504 HydrophobicContact CG-CD2 3.84Å; Q416-W504 HydrophobicContact CG-CE3 4.18Å; Q416-W504 HydrophobicContact CG-CG 3.99Å; Q416-W504 PolarHBondContact O-NE1 3.47Å; V418-W504 HydrophobicContact CG2-CZ2 4.17Å; C502-W504 PolarHBondContact O-N 2.87Å
505	G	49.1	Very low	36.7	Very low	6 Å²	6	111.9 Å²	111.9	6%	0.062	60%	0.603	C	S	.	*	S	Bend	trans	88.5	177.9	-171.3	0	0	0	0	0	112.8	E186 C502 V507	E186-G505 WeakPolarHBondContact OE1-CA 3.16Å; C502-G505 WeakPolarHBondContact CB-O 3.18Å; C502-G505 WeakPolarHBondContact O-CA 3.36Å; C502-G505 PolarHBondContact O-N 3.33Å; G505-V507 PolarHBondContact O-N 2.99Å
506	L	43.1	Very low	36.5	Very low	78 Å²	78	106.9 Å²	106.9	41%	0.408	59%	0.589	S	S	.	*			trans	-48.6	108.2	175.2	-72.8	165	0	0	0	111.4	E186 L508	E186-L506 HydrophobicContact CG-CD1 3.86Å; E186-L506 HydrophobicContact CG-CG 4.17Å; E186-L506 PolarHBondContact OE1-N 3.32Å; L506-L508 PolarHBondContact O-N 2.78Å
507	V	36	Very low	36.6	Very low	78 Å²	78	107.5 Å²	107.5	47%	0.473	59%	0.592	S	S	.	*			trans	-84.3	97.7	161.6	179.5	0	0	0	0	105.6	C502 G505 N509	C502-V507 HydrophobicContact CB-CG2 4.37Å; G505-V507 PolarHBondContact O-N 2.99Å; V507-N509 VanDerWaalsContact C-N 3.32Å; V507-N509 PolarHBondContact O-N 3.15Å
508	L	31.4	Very low	36.6	Very low	129 Å²	129	104.7 Å²	104.7	68%	0.675	58%	0.584	S	S	*	*			trans	-64.7	101.1	161.7	-74.9	167	0	0	0	106.6	L506 P510	L506-L508 PolarHBondContact O-N 2.78Å; L508-P510 WeakPolarHBondContact O-CD 3.07Å
509	N	27.3	Very low	36.6	Very low	126 Å²	126	102.2 Å²	102.2	67%	0.674	59%	0.585	S	S	*	*			trans	-62.2	115.7	154.6	-80.2	-20.6	0	0	0	106	V507 D511	V507-N509 VanDerWaalsContact C-N 3.32Å; V507-N509 PolarHBondContact O-N 3.15Å; N509-D511 PolarHBondContact O-N 2.9Å
510	P	31.8	Very low	36.2	Very low	117 Å²	117	106.1 Å²	106.1	76%	0.76	60%	0.601	S	S	*	*			trans	-80.7	73.6	170.6	33.8	-26.2	0	0	0	107	L508 P512	L508-P510 WeakPolarHBondContact O-CD 3.07Å; P510-P512 WeakPolarHBondContact O-CD 3.19Å
511	D	26.7	Very low	36.1	Very low	140 Å²	140	107 Å²	107	75%	0.749	60%	0.604	S	S	*	*			trans	-99.1	104.9	160.5	-82.1	-28.7	0	0	0	107.3	N509 E513	N509-D511 PolarHBondContact O-N 2.9Å; D511-E513 VanDerWaalsContact C-N 3.35Å; D511-E513 PolarHBondContact O-N 3.36Å
512	P	38.5	Very low	35.4	Very low	117 Å²	117	111.7 Å²	111.7	76%	0.76	63%	0.63	S	S	*	*			trans	-88.1	77.5	175.9	35.6	-28.4	0	0	0	107.8	P510	P510-P512 WeakPolarHBondContact O-CD 3.19Å
513	E	30.6	Very low	34.8	Very low	187 Å²	187	111 Å²	111	87%	0.874	64%	0.635	S	S	*	*			trans	-158.9	69.6	170.5	-111.3	169.4	-135.5	0	0	110.1	D511	D511-E513 VanDerWaalsContact C-N 3.35Å; D511-E513 PolarHBondContact O-N 3.36Å
514	S	30.8	Very low	34.3	Very low	111 Å²	111	116.6 Å²	116.6	78%	0.776	67%	0.672	S	S	*	*			trans	-134	100.1	152	-178	0	0	0	0	105.8	S516	S514-S516 VanDerWaalsContact C-N 3.26Å; S514-S516 PolarHBondContact O-N 3.42Å
515	D	28.1	Very low	33.7	Very low	161 Å²	161	123.6 Å²	123.6	86%	0.861	71%	0.711	S	S	*	*			trans	-59.3	89.3	172	-78.1	-38.8	0	0	0	108.8
516	S	30.5	Very low	32.8	Very low	86 Å²	86	130 Å²	130	60%	0.601	74%	0.743	S	S	*	*			trans	-75.8	119.3	151.9	54.5	0	0	0	0	107.1	S514 D518	S514-S516 VanDerWaalsContact C-N 3.26Å; S514-S516 PolarHBondContact O-N 3.42Å; S516-D518 PolarHBondContact O-N 3.27Å
517	E	31.5	Very low	32.4	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	76%	0.762	S	S	*	*			trans	-61.9	82.2	169.5	-66.2	-173.7	162.8	0	0	109.9	S519	E517-S519 PolarHBondContact O-N 3.2Å
518	D	29.5	Very low	32.2	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	78%	0.784	S	S	*	*			trans	-83.8	108.6	167.8	-99.6	-21	0	0	0	108.4	S516 E520	S516-D518 PolarHBondContact O-N 3.27Å; D518-E520 PolarHBondContact O-N 3.38Å
519	S	33.5	Very low	32.2	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	79%	0.785	S	S	*	*			trans	-73.6	117	164	-60.5	0	0	0	0	108.6	E517	E517-S519 PolarHBondContact O-N 3.2Å
520	E	31	Very low	32.4	Very low	172 Å²	172	138 Å²	138	80%	0.804	78%	0.784	S	S	*	*			trans	-64.4	143.9	173.7	-65.1	-160.1	157.7	0	0	111.6	D518 D522	D518-E520 PolarHBondContact O-N 3.38Å; E520-D522 PolarHBondContact O-N 2.88Å
521	P	33.3	Very low	32.4	Very low	132 Å²	132	136.9 Å²	136.9	86%	0.857	78%	0.779	S	S	*	*			trans	-85.5	102.6	170.4	32.5	-27.2	0	0	0	109.5	G523	P521-G523 PolarHBondContact O-N 3.38Å
522	D	31.9	Very low	32.9	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	78%	0.779	S	S	*	*			trans	-81.9	110.3	172.8	-112.1	-21.4	0	0	0	110.7	E520	E520-D522 PolarHBondContact O-N 2.88Å
523	G	34	Very low	33.1	Very low	54 Å²	54	139.1 Å²	139.1	56%	0.557	79%	0.785	S	S	*	*			trans	85.7	149	149.1	0	0	0	0	0	119.3	P521 D525	P521-G523 PolarHBondContact O-N 3.38Å; G523-D525 PolarHBondContact O-N 2.79Å; G523-D525 VanDerWaalsContact O-N 3.11Å
524	P	44.2	Very low	34.1	Very low	133 Å²	133	136 Å²	136	86%	0.864	77%	0.772	S	S	*	*	S	Bend	trans	-88.1	74.5	-179.2	36.6	-30.8	0	0	0	110
525	D	35.1	Very low	36.1	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	76%	0.757	S	S	*	*			trans	-162.2	35.7	164.6	-119.3	-5.2	0	0	0	112.1	G523 L527	G523-D525 PolarHBondContact O-N 2.79Å; G523-D525 VanDerWaalsContact O-N 3.11Å; D525-L527 PolarHBondContact O-N 3.34Å
526	D	30.1	Very low	38.3	Very low	139 Å²	139	132 Å²	132	74%	0.743	74%	0.742	S	S	*	*			trans	-91.6	100.1	172.7	-124.9	-0.7	0	0	0	109.6	M528	D526-M528 PolarHBondContact O-N 2.96Å
527	L	34.7	Very low	40.6	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	73%	0.727	S	S	*	*			trans	-44.4	130.5	162	-72.2	157.5	0	0	0	108.3	D525 I529	D525-L527 PolarHBondContact O-N 3.34Å; L527-I529 PolarHBondContact O-N 3.08Å
528	M	32.5	Very low	43	Very low	189 Å²	189	127 Å²	127	93%	0.931	71%	0.71	S	S	*	*			trans	-41	104	167.8	-87.8	-162.6	159.3	0	0	109.9	D526 P530	D526-M528 PolarHBondContact O-N 2.96Å; M528-P530 VanDerWaalsContact O-CD 3.3Å; M528-P530 WeakPolarHBondContact O-CD 3.5Å
529	I	30.6	Very low	45.6	Very low	136 Å²	136	121.6 Å²	121.6	70%	0.697	68%	0.682	S	S	*	*			trans	-78.3	109.2	158.6	-58.3	172.5	0	0	0	103	L527 S531	L527-I529 PolarHBondContact O-N 3.08Å; I529-S531 PolarHBondContact O-N 2.79Å
530	P	32.4	Very low	48.2	Very low	101 Å²	101	116.2 Å²	116.2	66%	0.656	64%	0.644	S	S	*	*			trans	-61.3	128.3	167.4	0.4	15.5	0	0	0	105.2	M528	M528-P530 VanDerWaalsContact O-CD 3.3Å; M528-P530 WeakPolarHBondContact O-CD 3.5Å
531	S	30.2	Very low	50.8	Low	95 Å²	95	110.2 Å²	110.2	66%	0.664	62%	0.616	S	S	*	*			trans	-37.1	130	158.8	38.8	0	0	0	0	108.3	I529 E533	I529-S531 PolarHBondContact O-N 2.79Å; S531-E533 PolarHBondContact O-N 3.3Å
532	P	38.6	Very low	53.3	Low	114 Å²	114	110.3 Å²	110.3	74%	0.74	61%	0.607	S	S	*	*			trans	-58	116.2	178.9	24.3	-30.4	0	0	0	105.8	M534	P532-M534 VanDerWaalsContact C-N 3.29Å; P532-M534 PolarHBondContact O-N 2.93Å
533	E	42	Very low	56.1	Low	190 Å²	190	107.1 Å²	107.1	89%	0.888	59%	0.587	S	S	*	*			trans	-50.7	103.6	169.6	-70.5	175.3	165.7	0	0	105.3	S531 D535	S531-E533 PolarHBondContact O-N 3.3Å; E533-D535 PolarHBondContact O-N 3.32Å; E533-D535 VanDerWaalsContact O-N 3.14Å
534	M	52.6	Low	58.7	Low	122 Å²	122	104.6 Å²	104.6	60%	0.601	56%	0.561	S	S	*	*			trans	-62.5	121.6	172.1	-75.3	-168.8	68.2	0	0	104.7	P532 D536 V539	P532-M534 VanDerWaalsContact C-N 3.29Å; P532-M534 PolarHBondContact O-N 2.93Å; M534-D536 PolarHBondContact O-N 2.91Å; M534-V539 HydrophobicContact CB-CG2 3.84Å; M534-V539 HydrophobicContact CE-CG2 4.1Å
535	D	70.9	Confident	60.8	Low	86 Å²	86	98.8 Å²	98.8	46%	0.46	52%	0.523	S	S	.	.			trans	-50.2	112.9	178	-167.8	-7.3	0	0	0	108.5	E533 V537 K538 V539	E533-D535 PolarHBondContact O-N 3.32Å; E533-D535 VanDerWaalsContact O-N 3.14Å; D535-V537 PolarHBondContact O-N 3.18Å; D535-K538 HydrophobicContact CB-CB 4.4Å; D535-K538 HydrophobicContact CB-CD 4.07Å; D535-K538 HydrophobicContact CB-CG 4.04Å; D535-K538 WeakPolarHBondContact O-CA 3.31Å; D535-K538 WeakPolarHBondContact O-CB 3.37Å; D535-K538 PolarHBondContact O-N 3.43Å; D535-V539 PolarHBondContact O-N 3.12Å
536	D	74.9	Confident	63.3	Low	102 Å²	102	92.5 Å²	92.5	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-51.6	-29.1	-175	-72.2	-36.6	0	0	0	111.4	M534 F540	M534-D536 PolarHBondContact O-N 2.91Å; D536-F540 VanDerWaalsContact O-CB 3.31Å; D536-F540 WeakPolarHBondContact O-CB 3.37Å; D536-F540 PolarHBondContact O-N 2.95Å
537	V	78.9	Confident	66.1	Low	49 Å²	49	86 Å²	86	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-41.9	174.5	-178.4	0	0	0	0	112.3	D535 Q541 I582	D535-V537 PolarHBondContact O-N 3.18Å; V537-Q541 WeakPolarHBondContact O-CB 3.32Å; V537-Q541 PolarHBondContact O-N 2.73Å; V537-I582 HydrophobicContact CG1-CD1 3.72Å; V537-I582 HydrophobicContact CG1-CG1 4.34Å
538	K	81.9	Confident	68.6	Low	125 Å²	125	78.8 Å²	78.8	54%	0.543	42%	0.423	S	S	.	.	H	α-helix	trans	-74.7	-39	180	-67.1	-178.2	-176	177.6	0	112	D535 F540 Q541 M542	D535-K538 HydrophobicContact CB-CB 4.4Å; D535-K538 HydrophobicContact CB-CD 4.07Å; D535-K538 HydrophobicContact CB-CG 4.04Å; D535-K538 WeakPolarHBondContact O-CA 3.31Å; D535-K538 WeakPolarHBondContact O-CB 3.37Å; D535-K538 PolarHBondContact O-N 3.43Å; K538-F540 VanDerWaalsContact C-N 3.32Å; K538-Q541 WeakPolarHBondContact O-CB 3.31Å; K538-Q541 PolarHBondContact O-N 3.19Å; K538-M542 WeakPolarHBondContact O-CG 3.41Å; K538-M542 PolarHBondContact O-N 2.79Å
539	V	84.9	Confident	71.1	Confident	33 Å²	33	73.6 Å²	73.6	20%	0.2	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-46.6	174.3	-178.8	0	0	0	0	109.3	M534 D535 Q541 M542 E543 Y572	M534-V539 HydrophobicContact CB-CG2 3.84Å; M534-V539 HydrophobicContact CE-CG2 4.1Å; D535-V539 PolarHBondContact O-N 3.12Å; V539-Q541 PolarHBondContact O-N 3.08Å; V539-M542 PolarHBondContact O-N 2.77Å; V539-E543 WeakPolarHBondContact O-CG 3.47Å; V539-E543 PolarHBondContact O-N 3.43Å; V539-Y572 HydrophobicContact CB-CE1 4.17Å; V539-Y572 HydrophobicContact CG1-CE1 3.65Å
540	F	87.1	Confident	73.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-40	174.8	177.8	-100.2	0	0	0	113.2	D536 K538 M542 E543 V544 L568 Y572 I574 V579 I582	D536-F540 VanDerWaalsContact O-CB 3.31Å; D536-F540 WeakPolarHBondContact O-CB 3.37Å; D536-F540 PolarHBondContact O-N 2.95Å; K538-F540 VanDerWaalsContact C-N 3.32Å; F540-M542 VanDerWaalsContact C-N 3.31Å; F540-M542 PolarHBondContact O-N 3.1Å; F540-E543 PolarHBondContact O-N 3.4Å; F540-V544 HydrophobicContact CD1-CG2 3.99Å; F540-V544 HydrophobicContact CD2-CG2 4.11Å; F540-V544 HydrophobicContact CE1-CG2 3.61Å; F540-V544 HydrophobicContact CE2-CG2 3.75Å; F540-V544 HydrophobicContact CG-CG2 4.23Å; F540-V544 HydrophobicContact CZ-CG2 3.48Å; F540-V544 VanDerWaalsContact CZ-CG2 3.48Å; F540-V544 WeakPolarHBondContact O-CB 3.01Å; F540-V544 VanDerWaalsContact O-CG2 3.28Å; F540-V544 WeakPolarHBondContact O-CG2 3.3Å; F540-V544 PolarHBondContact O-N 2.69Å; F540-L568 HydrophobicContact CD2-CB 3.95Å; F540-L568 HydrophobicContact CE2-CB 3.55Å; F540-Y572 HydrophobicContact CB-CD2 4.19Å; F540-Y572 HydrophobicContact CB-CG 4.18Å; F540-Y572 AromaticContact CD2-CD2 3.69Å; F540-Y572 HydrophobicContact CD2-CD2 3.69Å; F540-Y572 HydrophobicContact CD2-CE2 4.41Å; F540-Y572 HydrophobicContact CD2-CG 4.25Å; F540-Y572 HydrophobicContact CG-CD2 4.43Å; F540-I574 HydrophobicContact CB-CD1 3.24Å; F540-I574 HydrophobicContact CD1-CD1 3.44Å; F540-I574 VanDerWaalsContact CD1-CD1 3.44Å; F540-I574 HydrophobicContact CD2-CD1 3.67Å; F540-I574 HydrophobicContact CE1-CD1 4.13Å; F540-I574 HydrophobicContact CE2-CD1 4.31Å; F540-I574 HydrophobicContact CG-CD1 3.16Å; F540-V579 HydrophobicContact CE1-CB 4.44Å; F540-V579 HydrophobicContact CE1-CG1 4.5Å; F540-V579 HydrophobicContact CE1-CG2 3.96Å; F540-V579 HydrophobicContact CZ-CB 4.36Å; F540-V579 HydrophobicContact CZ-CG1 4.17Å; F540-V579 HydrophobicContact CZ-CG2 3.66Å; F540-I582 HydrophobicContact CD1-CB 4.38Å; F540-I582 HydrophobicContact CD1-CD1 3.52Å; F540-I582 HydrophobicContact CD1-CG2 3.91Å; F540-I582 HydrophobicContact CE1-CB 4.25Å; F540-I582 HydrophobicContact CE1-CD1 3.89Å; F540-I582 HydrophobicContact CE1-CG2 4.03Å
541	Q	86	Confident	76.2	Confident	46 Å²	46	68.1 Å²	68.1	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-42.8	174.6	-178.4	177.7	-0.2	0	0	111.9	V537 K538 V539 M545 I582 S585 V586 E589	V537-Q541 WeakPolarHBondContact O-CB 3.32Å; V537-Q541 PolarHBondContact O-N 2.73Å; K538-Q541 WeakPolarHBondContact O-CB 3.31Å; K538-Q541 PolarHBondContact O-N 3.19Å; V539-Q541 PolarHBondContact O-N 3.08Å; Q541-M545 WeakPolarHBondContact O-CB 3.24Å; Q541-M545 PolarHBondContact O-N 3.4Å; Q541-I582 HydrophobicContact CB-CG2 3.79Å; Q541-I582 HydrophobicContact CG-CG2 4.01Å; Q541-S585 PolarHBondContact NE2-OG 2.68Å; Q541-V586 HydrophobicContact CG-CG2 3.65Å; Q541-E589 PolarHBondContact NE2-OE1 3.35Å; Q541-E589 PolarHBondContact NE2-OE2 2.79Å
542	M	86.4	Confident	78.8	Confident	134 Å²	134	66 Å²	66	66%	0.66	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-43.3	176.5	-69.4	-175	65.1	0	0	112.4	K538 V539 F540 M545 G546	K538-M542 WeakPolarHBondContact O-CG 3.41Å; K538-M542 PolarHBondContact O-N 2.79Å; V539-M542 PolarHBondContact O-N 2.77Å; F540-M542 VanDerWaalsContact C-N 3.31Å; F540-M542 PolarHBondContact O-N 3.1Å; M542-M545 WeakPolarHBondContact O-CB 3.39Å; M542-M545 PolarHBondContact O-N 3.27Å; M542-G546 PolarHBondContact O-N 3.07Å
543	E	89.3	Confident	81	Confident	88 Å²	88	67 Å²	67	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-40.9	177.9	-69.6	-63.4	158.2	0	0	112.6	V539 F540 M545 G546 T547 L568 Y572	V539-E543 WeakPolarHBondContact O-CG 3.47Å; V539-E543 PolarHBondContact O-N 3.43Å; F540-E543 PolarHBondContact O-N 3.4Å; E543-M545 VanDerWaalsContact C-N 3.34Å; E543-G546 PolarHBondContact O-N 2.9Å; E543-T547 WeakPolarHBondContact O-CB 3.38Å; E543-T547 PolarHBondContact O-N 3.33Å; E543-T547 PolarHBondContact O-OG1 3.34Å; E543-L568 HydrophobicContact CB-CD1 4.13Å; E543-L568 HydrophobicContact CB-CD2 4.1Å; E543-Y572 HydrophobicContact CG-CE2 4.28Å
544	V	89.6	Confident	83.1	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-39.3	175.4	173.6	0	0	0	0	110.7	F540 T547 L548 L568 L583 V586	F540-V544 HydrophobicContact CD1-CG2 3.99Å; F540-V544 HydrophobicContact CD2-CG2 4.11Å; F540-V544 HydrophobicContact CE1-CG2 3.61Å; F540-V544 HydrophobicContact CE2-CG2 3.75Å; F540-V544 HydrophobicContact CG-CG2 4.23Å; F540-V544 HydrophobicContact CZ-CG2 3.48Å; F540-V544 VanDerWaalsContact CZ-CG2 3.48Å; F540-V544 WeakPolarHBondContact O-CB 3.01Å; F540-V544 VanDerWaalsContact O-CG2 3.28Å; F540-V544 WeakPolarHBondContact O-CG2 3.3Å; F540-V544 PolarHBondContact O-N 2.69Å; V544-T547 PolarHBondContact O-N 3.49Å; V544-L548 HydrophobicContact CG1-CD1 4.32Å; V544-L548 WeakPolarHBondContact O-CG 3.26Å; V544-L548 PolarHBondContact O-N 2.97Å; V544-L568 HydrophobicContact CG2-CD1 4.15Å; V544-L583 HydrophobicContact CG1-CD1 4.29Å; V544-V586 HydrophobicContact CG1-CG1 4.36Å; V544-V586 HydrophobicContact CG1-CG2 4.41Å
545	M	87.9	Confident	84.6	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.054	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-48.7	173.1	-172.3	88.2	64	0	0	111.3	Q541 M542 E543 T547 L548 Q549 V586 E589 Y590 Q593	Q541-M545 WeakPolarHBondContact O-CB 3.24Å; Q541-M545 PolarHBondContact O-N 3.4Å; M542-M545 WeakPolarHBondContact O-CB 3.39Å; M542-M545 PolarHBondContact O-N 3.27Å; E543-M545 VanDerWaalsContact C-N 3.34Å; M545-T547 VanDerWaalsContact C-N 3.35Å; M545-T547 PolarHBondContact O-N 3.05Å; M545-L548 PolarHBondContact O-N 2.67Å; M545-Q549 PolarHBondContact O-N 3.2Å; M545-V586 HydrophobicContact CB-CG1 3.84Å; M545-V586 HydrophobicContact CE-CB 4.23Å; M545-V586 HydrophobicContact CE-CG1 3.89Å; M545-V586 HydrophobicContact CE-CG2 4.19Å; M545-V586 HydrophobicContact CG-CG1 4.25Å; M545-V586 HydrophobicContact SD-CG1 3.6Å; M545-V586 VanDerWaalsContact SD-CG1 3.6Å; M545-E589 HydrophobicContact CE-CB 4Å; M545-Y590 HydrophobicContact SD-CD2 4.05Å; M545-Q593 PolarHBondContact SD-OE1 2.97Å; M545-Q593 VanDerWaalsContact SD-OE1 3.39Å
546	G	87.6	Confident	85.3	Confident	29 Å²	29	61.6 Å²	61.6	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-41.7	177.1	0	0	0	0	0	112.6	M542 E543 L548 Q549 R550	M542-G546 PolarHBondContact O-N 3.07Å; E543-G546 PolarHBondContact O-N 2.9Å; G546-L548 PolarHBondContact O-N 3.42Å; G546-Q549 PolarHBondContact O-N 3.39Å; G546-R550 WeakPolarHBondContact O-CG 3.11Å; G546-R550 PolarHBondContact O-N 2.8Å
547	T	89.6	Confident	85.8	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45.6	175.2	-61.3	0	0	0	0	111.8	E543 V544 M545 G551 L561 E564 I565	E543-T547 WeakPolarHBondContact O-CB 3.38Å; E543-T547 PolarHBondContact O-N 3.33Å; E543-T547 PolarHBondContact O-OG1 3.34Å; V544-T547 PolarHBondContact O-N 3.49Å; M545-T547 VanDerWaalsContact C-N 3.35Å; M545-T547 PolarHBondContact O-N 3.05Å; T547-G551 PolarHBondContact O-N 2.85Å; T547-L561 HydrophobicContact CG2-CD2 4.03Å; T547-E564 HydrophobicContact CG2-CB 3.89Å; T547-E564 WeakPolarHBondContact CG2-OE2 3.2Å; T547-I565 HydrophobicContact CG2-CG1 4.45Å
548	L	85.9	Confident	86	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-34.5	177.5	-71	175.8	0	0	0	112.7	V544 M545 G546 G551 L552 L583 V586 V587 W615	V544-L548 HydrophobicContact CG1-CD1 4.32Å; V544-L548 WeakPolarHBondContact O-CG 3.26Å; V544-L548 PolarHBondContact O-N 2.97Å; M545-L548 PolarHBondContact O-N 2.67Å; G546-L548 PolarHBondContact O-N 3.42Å; L548-G551 PolarHBondContact O-N 3.34Å; L548-L552 PolarHBondContact O-N 2.73Å; L548-L583 HydrophobicContact CD1-CD1 3.99Å; L548-V586 HydrophobicContact CD1-CG1 3.68Å; L548-V587 HydrophobicContact CD1-CG2 3.88Å; L548-W615 HydrophobicContact CB-CH2 4.12Å; L548-W615 HydrophobicContact CB-CZ2 3.89Å; L548-W615 HydrophobicContact CD2-CD2 4.24Å; L548-W615 HydrophobicContact CD2-CZ2 4.26Å
549	Q	86.5	Confident	86.2	Confident	79 Å²	79	58.1 Å²	58.1	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-50.9	174.5	-175.6	176.2	-15.9	0	0	111.6	M545 G546 G551 L552 E553 Y590	M545-Q549 PolarHBondContact O-N 3.2Å; G546-Q549 PolarHBondContact O-N 3.39Å; Q549-G551 VanDerWaalsContact C-N 3.27Å; Q549-G551 PolarHBondContact O-N 2.85Å; Q549-L552 WeakPolarHBondContact O-CA 3.42Å; Q549-L552 WeakPolarHBondContact O-CB 3.46Å; Q549-L552 PolarHBondContact O-N 2.76Å; Q549-E553 WeakPolarHBondContact CG-OE1 3.48Å; Q549-E553 PolarHBondContact NE2-OE1 2.53Å; Q549-E553 PolarHBondContact O-N 3.41Å; Q549-Y590 HydrophobicContact CB-CE2 4.03Å; Q549-Y590 HydrophobicContact CG-CE2 4.47Å
550	R	85.8	Confident	86.4	Confident	122 Å²	122	60.8 Å²	60.8	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-41.3	174	-67.1	-172.6	-55.2	-172.6	5.3	111.5	G546 L552 E553 E554 E564	G546-R550 WeakPolarHBondContact O-CG 3.11Å; G546-R550 PolarHBondContact O-N 2.8Å; R550-L552 PolarHBondContact O-N 3.24Å; R550-E553 PolarHBondContact O-N 3.46Å; R550-E554 WeakPolarHBondContact O-CB 3.39Å; R550-E554 PolarHBondContact O-N 3.32Å; R550-E564 IonicContact NH2-OE2 3.1Å; R550-E564 PolarHBondContact NH2-OE2 3.02Å
551	G	84.3	Confident	86.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-27	173.7	0	0	0	0	0	114.5	T547 L548 Q549 N555 I556 K614	T547-G551 PolarHBondContact O-N 2.85Å; L548-G551 PolarHBondContact O-N 3.34Å; Q549-G551 VanDerWaalsContact C-N 3.27Å; Q549-G551 PolarHBondContact O-N 2.85Å; G551-N555 WeakPolarHBondContact O-CA 3.37Å; G551-N555 PolarHBondContact O-N 3.37Å; G551-I556 PolarHBondContact O-N 3.48Å; G551-K614 PolarHBondContact O-NZ 3.32Å; G551-K614 VanDerWaalsContact O-NZ 3.13Å
552	L	83.6	Confident	86.5	Confident	52 Å²	52	59.3 Å²	59.3	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-80.6	-47	173.9	-168.1	66.5	0	0	0	111.9	L548 Q549 R550 Y590 L611 K614	L548-L552 PolarHBondContact O-N 2.73Å; Q549-L552 WeakPolarHBondContact O-CA 3.42Å; Q549-L552 WeakPolarHBondContact O-CB 3.46Å; Q549-L552 PolarHBondContact O-N 2.76Å; R550-L552 PolarHBondContact O-N 3.24Å; L552-Y590 HydrophobicContact CD2-CE1 3.82Å; L552-Y590 WeakPolarHBondContact CD2-OH 3.48Å; L552-L611 HydrophobicContact CD1-CD2 3.64Å; L552-L611 HydrophobicContact CD2-CD2 3.69Å; L552-L611 HydrophobicContact CG-CD2 4.31Å; L552-K614 HydrophobicContact CD1-CD 3.96Å
553	E	85.1	Confident	86.6	Confident	135 Å²	135	58.3 Å²	58.3	63%	0.631	31%	0.307	S	S	*	.	H	α-helix	trans	-68	-48.7	-176.6	-69.9	172.5	-168.7	0	0	112.5	Q549 R550	Q549-E553 WeakPolarHBondContact CG-OE1 3.48Å; Q549-E553 PolarHBondContact NE2-OE1 2.53Å; Q549-E553 PolarHBondContact O-N 3.41Å; R550-E553 PolarHBondContact O-N 3.46Å
554	E	86.9	Confident	86.6	Confident	137 Å²	137	56.6 Å²	56.6	64%	0.64	30%	0.299	S	S	*	.	S	Bend	trans	-88.8	-4.1	-178.1	-62.6	177.2	-169.5	0	0	113.1	R550 I556	R550-E554 WeakPolarHBondContact O-CB 3.39Å; R550-E554 PolarHBondContact O-N 3.32Å; E554-I556 HydrophobicContact CB-CD1 4.43Å; E554-I556 HydrophobicContact CB-CG1 3.97Å; E554-I556 PolarHBondContact O-N 2.83Å
555	N	83.3	Confident	86.6	Confident	117 Å²	117	56.6 Å²	56.6	63%	0.626	30%	0.299	S	S	*	.			trans	55.1	46	-178.2	-162.1	37.9	0	0	0	114.2	G551 K614	G551-N555 WeakPolarHBondContact O-CA 3.37Å; G551-N555 PolarHBondContact O-N 3.37Å; N555-K614 WeakPolarHBondContact OD1-CE 3.4Å; N555-K614 PolarHBondContact OD1-NZ 3.15Å
556	I	86.1	Confident	86.6	Confident	29 Å²	29	58 Å²	58	15%	0.149	31%	0.307	C	S	.	.			trans	-63	142.2	179.5	-55	175.3	0	0	0	110.9	G551 E554 N560 L561	G551-I556 PolarHBondContact O-N 3.48Å; E554-I556 HydrophobicContact CB-CD1 4.43Å; E554-I556 HydrophobicContact CB-CG1 3.97Å; E554-I556 PolarHBondContact O-N 2.83Å; I556-N560 HydrophobicContact CG2-CB 3.64Å; I556-L561 HydrophobicContact CB-CD2 4.33Å; I556-L561 HydrophobicContact CB-CG 4.42Å; I556-L561 HydrophobicContact CG2-CD2 4.28Å; I556-L561 HydrophobicContact CG2-CG 4.2Å
557	G	85.8	Confident	86.8	Confident	44 Å²	44	59.8 Å²	59.8	45%	0.454	31%	0.314	S	S	.	.			trans	-63.8	143.7	174.2	0	0	0	0	0	112.7	D559 N560 L561	G557-D559 PolarHBondContact O-N 3.18Å; G557-D559 VanDerWaalsContact O-N 3.16Å; G557-N560 PolarHBondContact O-N 2.77Å; G557-N560 VanDerWaalsContact O-N 3.09Å; G557-L561 PolarHBondContact O-N 2.75Å
558	C	82.4	Confident	86.7	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-30	-177	-65.4	0	0	0	0	113.8	L561 V562 K614 P617 V618	C558-L561 PolarHBondContact O-N 3Å; C558-V562 WeakPolarHBondContact O-CG2 3.29Å; C558-V562 PolarHBondContact O-N 2.85Å; C558-V562 VanDerWaalsContact O-N 3.08Å; C558-K614 PolarHBondContact SG-O 2.75Å; C558-K614 VanDerWaalsContact SG-O 3.35Å; C558-P617 HydrophobicContact CB-CB 3.92Å; C558-P617 HydrophobicContact CB-CG 4.44Å; C558-V618 HydrophobicContact CB-CG2 3.95Å
559	D	85.8	Confident	86.8	Confident	131 Å²	131	62.3 Å²	62.3	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-66.9	-37.2	178	-62.9	-34.6	0	0	0	112.2	G557 V562 L563	G557-D559 PolarHBondContact O-N 3.18Å; G557-D559 VanDerWaalsContact O-N 3.16Å; D559-V562 PolarHBondContact O-N 2.66Å; D559-L563 WeakPolarHBondContact O-CG 3.19Å; D559-L563 PolarHBondContact O-N 3.06Å; D559-L563 VanDerWaalsContact O-N 3.15Å
560	N	88.4	Confident	86.9	Confident	89 Å²	89	66.8 Å²	66.8	48%	0.476	34%	0.341	S	S	.	.	H	α-helix	trans	-71.3	-39.4	176.8	-67.1	-12.4	0	0	0	111	I556 G557 V562 L563 E564	I556-N560 HydrophobicContact CG2-CB 3.64Å; G557-N560 PolarHBondContact O-N 2.77Å; G557-N560 VanDerWaalsContact O-N 3.09Å; N560-V562 VanDerWaalsContact C-N 3.31Å; N560-V562 PolarHBondContact O-N 3.47Å; N560-L563 WeakPolarHBondContact O-CB 3.14Å; N560-L563 PolarHBondContact O-N 3.31Å; N560-E564 PolarHBondContact O-N 3.16Å
561	L	87.6	Confident	86.9	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-40.4	174.7	-67.6	174.9	0	0	0	112	T547 I556 G557 C558 L563 E564 I565 V618	T547-L561 HydrophobicContact CG2-CD2 4.03Å; I556-L561 HydrophobicContact CB-CD2 4.33Å; I556-L561 HydrophobicContact CB-CG 4.42Å; I556-L561 HydrophobicContact CG2-CD2 4.28Å; I556-L561 HydrophobicContact CG2-CG 4.2Å; G557-L561 PolarHBondContact O-N 2.75Å; C558-L561 PolarHBondContact O-N 3Å; L561-L563 VanDerWaalsContact C-N 3.32Å; L561-L563 PolarHBondContact O-N 3.35Å; L561-E564 PolarHBondContact O-N 3.23Å; L561-I565 WeakPolarHBondContact O-CB 3.37Å; L561-I565 VanDerWaalsContact O-CG1 3.25Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 2.75Å; L561-V618 HydrophobicContact CB-CG2 4.43Å
562	V	88.6	Confident	87	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-40.9	173.1	163.6	0	0	0	0	111.4	C558 D559 N560 N566 V618 N621 Y622	C558-V562 WeakPolarHBondContact O-CG2 3.29Å; C558-V562 PolarHBondContact O-N 2.85Å; C558-V562 VanDerWaalsContact O-N 3.08Å; D559-V562 PolarHBondContact O-N 2.66Å; N560-V562 VanDerWaalsContact C-N 3.31Å; N560-V562 PolarHBondContact O-N 3.47Å; V562-N566 VanDerWaalsContact O-CB 3.26Å; V562-N566 WeakPolarHBondContact O-CB 3.26Å; V562-N566 PolarHBondContact O-N 2.9Å; V562-N566 PolarHBondContact O-ND2 3.27Å; V562-N566 VanDerWaalsContact O-ND2 3.16Å; V562-V618 HydrophobicContact CG2-CB 4.43Å; V562-V618 HydrophobicContact CG2-CG1 4.06Å; V562-V618 HydrophobicContact CG2-CG2 4.41Å; V562-N621 WeakPolarHBondContact CG1-ND2 3.39Å; V562-N621 HydrophobicContact CG2-CB 4.29Å; V562-Y622 HydrophobicContact CG2-CE2 4.24Å; V562-Y622 PolarHBondContact O-OH 3.31Å
563	L	88.6	Confident	87.1	Confident	114 Å²	114	72.2 Å²	72.2	60%	0.597	39%	0.386	S	S	*	.	H	α-helix	trans	-66	-42.6	178.1	-70.1	173.3	0	0	0	111.5	D559 N560 L561 N566 S567	D559-L563 WeakPolarHBondContact O-CG 3.19Å; D559-L563 PolarHBondContact O-N 3.06Å; D559-L563 VanDerWaalsContact O-N 3.15Å; N560-L563 WeakPolarHBondContact O-CB 3.14Å; N560-L563 PolarHBondContact O-N 3.31Å; L561-L563 VanDerWaalsContact C-N 3.32Å; L561-L563 PolarHBondContact O-N 3.35Å; L563-N566 PolarHBondContact O-N 2.83Å; L563-S567 WeakPolarHBondContact O-CB 3.43Å; L563-S567 PolarHBondContact O-N 3.43Å
564	E	89.8	Confident	87.2	Confident	51 Å²	51	66.4 Å²	66.4	24%	0.238	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-51	174.7	-74.5	-179.6	-133.3	0	0	111.1	T547 R550 N560 L561 N566 S567 L568	T547-E564 HydrophobicContact CG2-CB 3.89Å; T547-E564 WeakPolarHBondContact CG2-OE2 3.2Å; R550-E564 IonicContact NH2-OE2 3.1Å; R550-E564 PolarHBondContact NH2-OE2 3.02Å; N560-E564 PolarHBondContact O-N 3.16Å; L561-E564 PolarHBondContact O-N 3.23Å; E564-N566 VanDerWaalsContact C-N 3.29Å; E564-N566 PolarHBondContact O-N 3.3Å; E564-S567 WeakPolarHBondContact O-CB 3.44Å; E564-S567 PolarHBondContact O-N 3.05Å; E564-S567 PolarHBondContact O-OG 2.92Å; E564-L568 WeakPolarHBondContact O-CG 3.29Å; E564-L568 PolarHBondContact O-N 3.2Å
565	I	88.7	Confident	87.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-38	178.3	-65	165	0	0	0	111.2	T547 L561 L568 K569 V579 L583 V618 Y622	T547-I565 HydrophobicContact CG2-CG1 4.45Å; L561-I565 WeakPolarHBondContact O-CB 3.37Å; L561-I565 VanDerWaalsContact O-CG1 3.25Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 2.75Å; I565-L568 PolarHBondContact O-N 2.63Å; I565-K569 WeakPolarHBondContact O-CB 3.13Å; I565-K569 PolarHBondContact O-N 3.25Å; I565-V579 HydrophobicContact CG2-CG1 3.89Å; I565-L583 HydrophobicContact CD1-CD1 4.22Å; I565-V618 HydrophobicContact CD1-CG1 4.13Å; I565-Y622 WeakPolarHBondContact CB-OH 3.12Å; I565-Y622 HydrophobicContact CG2-CE2 4.4Å; I565-Y622 WeakPolarHBondContact CG2-OH 3.45Å
566	N	89.1	Confident	87.2	Confident	41 Å²	41	60.3 Å²	60.3	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-39.9	174	-75	-24.9	0	0	0	112.1	V562 L563 E564 K569 Y570 Y622	V562-N566 VanDerWaalsContact O-CB 3.26Å; V562-N566 WeakPolarHBondContact O-CB 3.26Å; V562-N566 PolarHBondContact O-N 2.9Å; V562-N566 PolarHBondContact O-ND2 3.27Å; V562-N566 VanDerWaalsContact O-ND2 3.16Å; L563-N566 PolarHBondContact O-N 2.83Å; E564-N566 VanDerWaalsContact C-N 3.29Å; E564-N566 PolarHBondContact O-N 3.3Å; N566-K569 WeakPolarHBondContact O-CB 3.43Å; N566-K569 PolarHBondContact O-N 3.4Å; N566-Y570 HydrophobicContact CB-CE2 4.38Å; N566-Y570 WeakPolarHBondContact O-CD2 3.47Å; N566-Y570 PolarHBondContact O-N 3.35Å; N566-Y622 WeakPolarHBondContact OD1-CE1 3.49Å; N566-Y622 PolarHBondContact OD1-OH 3.08Å; N566-Y622 VanDerWaalsContact OD1-OH 3.04Å
567	S	90.5	Very high	87.1	Confident	66 Å²	66	63.5 Å²	63.5	46%	0.462	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-43.9	175.4	77.4	0	0	0	0	111.5	L563 E564 K569 Y570 A571	L563-S567 WeakPolarHBondContact O-CB 3.43Å; L563-S567 PolarHBondContact O-N 3.43Å; E564-S567 WeakPolarHBondContact O-CB 3.44Å; E564-S567 PolarHBondContact O-N 3.05Å; E564-S567 PolarHBondContact O-OG 2.92Å; S567-K569 PolarHBondContact O-N 3.48Å; S567-Y570 PolarHBondContact O-N 3.2Å; S567-A571 PolarHBondContact O-N 2.94Å
568	L	88.7	Confident	87	Confident	23 Å²	23	65 Å²	65	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-43.6	174.1	-66.7	172.1	0	0	0	110.9	F540 E543 V544 E564 I565 Y570 A571 Y572	F540-L568 HydrophobicContact CD2-CB 3.95Å; F540-L568 HydrophobicContact CE2-CB 3.55Å; E543-L568 HydrophobicContact CB-CD1 4.13Å; E543-L568 HydrophobicContact CB-CD2 4.1Å; V544-L568 HydrophobicContact CG2-CD1 4.15Å; E564-L568 WeakPolarHBondContact O-CG 3.29Å; E564-L568 PolarHBondContact O-N 3.2Å; I565-L568 PolarHBondContact O-N 2.63Å; L568-Y570 VanDerWaalsContact C-N 3.26Å; L568-Y570 PolarHBondContact O-N 3.49Å; L568-A571 WeakPolarHBondContact O-CB 3.24Å; L568-A571 PolarHBondContact O-N 3.06Å; L568-A571 VanDerWaalsContact O-N 3.08Å; L568-Y572 HydrophobicContact CD2-CE2 4.04Å; L568-Y572 VanDerWaalsContact O-CD2 3.3Å; L568-Y572 WeakPolarHBondContact O-CD2 3.43Å; L568-Y572 PolarHBondContact O-N 3.34Å
569	K	88.1	Confident	87.1	Confident	35 Å²	35	63.7 Å²	63.7	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-56	-42	175.9	173	-180	163.7	-78	0	111.7	I565 N566 S567 N573 I574 L576 V579	I565-K569 WeakPolarHBondContact O-CB 3.13Å; I565-K569 PolarHBondContact O-N 3.25Å; N566-K569 WeakPolarHBondContact O-CB 3.43Å; N566-K569 PolarHBondContact O-N 3.4Å; S567-K569 PolarHBondContact O-N 3.48Å; K569-N573 WeakPolarHBondContact O-CA 3.43Å; K569-N573 PolarHBondContact O-N 2.88Å; K569-N573 VanDerWaalsContact O-N 3.07Å; K569-I574 WeakPolarHBondContact CG-O 3.4Å; K569-I574 PolarHBondContact O-N 2.9Å; K569-L576 HydrophobicContact CD-CD1 4.47Å; K569-V579 HydrophobicContact CB-CG2 4.02Å; K569-V579 HydrophobicContact CD-CG2 3.88Å; K569-V579 HydrophobicContact CG-CG2 3.84Å
570	Y	87.4	Confident	87	Confident	172 Å²	172	57.6 Å²	57.6	68%	0.675	30%	0.301	S	S	*	.	H	α-helix	trans	-73.4	-33.7	177	-66.7	-62.2	0	0	0	112.6	N566 S567 L568	N566-Y570 HydrophobicContact CB-CE2 4.38Å; N566-Y570 WeakPolarHBondContact O-CD2 3.47Å; N566-Y570 PolarHBondContact O-N 3.35Å; S567-Y570 PolarHBondContact O-N 3.2Å; L568-Y570 VanDerWaalsContact C-N 3.26Å; L568-Y570 PolarHBondContact O-N 3.49Å
571	A	87	Confident	86.8	Confident	77 Å²	77	55.9 Å²	55.9	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-65.2	-47.1	177.3	0	0	0	0	0	112.4	S567 L568	S567-A571 PolarHBondContact O-N 2.94Å; L568-A571 WeakPolarHBondContact O-CB 3.24Å; L568-A571 PolarHBondContact O-N 3.06Å; L568-A571 VanDerWaalsContact O-N 3.08Å
572	Y	86.4	Confident	86.7	Confident	62 Å²	62	56.3 Å²	56.3	24%	0.243	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.6	-178.9	-63.7	-81.6	0	0	0	113.6	V539 F540 E543 L568 I574	V539-Y572 HydrophobicContact CB-CE1 4.17Å; V539-Y572 HydrophobicContact CG1-CE1 3.65Å; F540-Y572 HydrophobicContact CB-CD2 4.19Å; F540-Y572 HydrophobicContact CB-CG 4.18Å; F540-Y572 AromaticContact CD2-CD2 3.69Å; F540-Y572 HydrophobicContact CD2-CD2 3.69Å; F540-Y572 HydrophobicContact CD2-CE2 4.41Å; F540-Y572 HydrophobicContact CD2-CG 4.25Å; F540-Y572 HydrophobicContact CG-CD2 4.43Å; E543-Y572 HydrophobicContact CG-CE2 4.28Å; L568-Y572 HydrophobicContact CD2-CE2 4.04Å; L568-Y572 VanDerWaalsContact O-CD2 3.3Å; L568-Y572 WeakPolarHBondContact O-CD2 3.43Å; L568-Y572 PolarHBondContact O-N 3.34Å; Y572-I574 VanDerWaalsContact C-N 3.28Å; Y572-I574 PolarHBondContact O-N 2.83Å
573	N	85.8	Confident	86.7	Confident	150 Å²	150	55.9 Å²	55.9	80%	0.802	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.1	-179.6	-170.6	43.8	0	0	0	114.1	K569	K569-N573 WeakPolarHBondContact O-CA 3.43Å; K569-N573 PolarHBondContact O-N 2.88Å; K569-N573 VanDerWaalsContact O-N 3.07Å
574	I	86.1	Confident	86.5	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.062	26%	0.261	C	S	.	.			trans	-87.9	143.7	-176.5	-67.2	172.3	0	0	0	110.7	F540 K569 Y572 E578 V579	F540-I574 HydrophobicContact CB-CD1 3.24Å; F540-I574 HydrophobicContact CD1-CD1 3.44Å; F540-I574 VanDerWaalsContact CD1-CD1 3.44Å; F540-I574 HydrophobicContact CD2-CD1 3.67Å; F540-I574 HydrophobicContact CE1-CD1 4.13Å; F540-I574 HydrophobicContact CE2-CD1 4.31Å; F540-I574 HydrophobicContact CG-CD1 3.16Å; K569-I574 WeakPolarHBondContact CG-O 3.4Å; K569-I574 PolarHBondContact O-N 2.9Å; Y572-I574 VanDerWaalsContact C-N 3.28Å; Y572-I574 PolarHBondContact O-N 2.83Å; I574-E578 HydrophobicContact CG2-CB 3.37Å; I574-E578 HydrophobicContact CG2-CG 4.43Å; I574-V579 HydrophobicContact CB-CG2 4.27Å; I574-V579 HydrophobicContact CG2-CG2 3.74Å
575	S	86.7	Confident	86.3	Confident	51 Å²	51	49.1 Å²	49.1	36%	0.357	26%	0.257	S	S	.	.			trans	-71	153.3	178.6	72.2	0	0	0	0	111.5	K577 E578 V579	S575-K577 PolarHBondContact O-N 3.4Å; S575-K577 VanDerWaalsContact O-N 3.16Å; S575-E578 VanDerWaalsContact CB-OE2 3.31Å; S575-E578 WeakPolarHBondContact CB-OE2 3.26Å; S575-E578 PolarHBondContact N-OE2 3.14Å; S575-E578 PolarHBondContact O-N 3.07Å; S575-E578 VanDerWaalsContact O-N 3.13Å; S575-E578 WeakPolarHBondContact OG-CG 3.48Å; S575-E578 PolarHBondContact OG-N 3.36Å; S575-E578 PolarHBondContact OG-OE2 3.27Å; S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 3.28Å
576	L	82.9	Confident	86.2	Confident	75 Å²	75	49 Å²	49	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-57	-34.7	178.1	-166.5	76.9	0	0	0	111.7	K569 V579 M580 Y622	K569-L576 HydrophobicContact CD-CD1 4.47Å; L576-V579 PolarHBondContact O-N 2.9Å; L576-M580 VanDerWaalsContact O-CG 3.31Å; L576-M580 WeakPolarHBondContact O-CG 3.48Å; L576-M580 PolarHBondContact O-N 2.86Å; L576-M580 VanDerWaalsContact O-N 3.14Å; L576-Y622 HydrophobicContact CD1-CD1 4.09Å
577	K	83.9	Confident	86.1	Confident	97 Å²	97	47.2 Å²	47.2	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-51.3	176.5	174.8	173.7	177.2	171	0	111.7	S575 V579 M580 Q581 D631	S575-K577 PolarHBondContact O-N 3.4Å; S575-K577 VanDerWaalsContact O-N 3.16Å; K577-V579 VanDerWaalsContact C-N 3.35Å; K577-V579 PolarHBondContact O-N 2.82Å; K577-M580 WeakPolarHBondContact O-CB 3.22Å; K577-M580 PolarHBondContact O-N 3.47Å; K577-Q581 WeakPolarHBondContact O-CG 3.36Å; K577-Q581 PolarHBondContact O-N 2.79Å; K577-Q581 VanDerWaalsContact O-N 3.08Å; K577-D631 WeakPolarHBondContact CE-OD1 3.33Å; K577-D631 HydrophobicContact CG-CB 4.24Å; K577-D631 WeakPolarHBondContact CG-OD2 3.37Å; K577-D631 IonicContact NZ-OD1 3.44Å; K577-D631 PolarHBondContact NZ-OD1 3.03Å
578	E	83.8	Confident	85.8	Confident	76 Å²	76	44.3 Å²	44.3	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-39.1	-179.8	-72.7	154.3	166.8	0	0	111.2	I574 S575 M580 Q581 I582	I574-E578 HydrophobicContact CG2-CB 3.37Å; I574-E578 HydrophobicContact CG2-CG 4.43Å; S575-E578 VanDerWaalsContact CB-OE2 3.31Å; S575-E578 WeakPolarHBondContact CB-OE2 3.26Å; S575-E578 PolarHBondContact N-OE2 3.14Å; S575-E578 PolarHBondContact O-N 3.07Å; S575-E578 VanDerWaalsContact O-N 3.13Å; S575-E578 WeakPolarHBondContact OG-CG 3.48Å; S575-E578 PolarHBondContact OG-N 3.36Å; S575-E578 PolarHBondContact OG-OE2 3.27Å; E578-M580 VanDerWaalsContact C-N 3.25Å; E578-M580 PolarHBondContact O-N 3.35Å; E578-Q581 PolarHBondContact O-N 2.9Å; E578-I582 HydrophobicContact CB-CD1 4.41Å; E578-I582 WeakPolarHBondContact O-CB 3.38Å; E578-I582 WeakPolarHBondContact O-CD1 3.31Å; E578-I582 WeakPolarHBondContact O-CG1 3.39Å; E578-I582 PolarHBondContact O-N 2.82Å
579	V	85.9	Confident	85.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-57.4	-41.3	174.5	174.2	0	0	0	0	111.4	F540 I565 K569 I574 S575 L576 K577 L583 Y622	F540-V579 HydrophobicContact CE1-CB 4.44Å; F540-V579 HydrophobicContact CE1-CG1 4.5Å; F540-V579 HydrophobicContact CE1-CG2 3.96Å; F540-V579 HydrophobicContact CZ-CB 4.36Å; F540-V579 HydrophobicContact CZ-CG1 4.17Å; F540-V579 HydrophobicContact CZ-CG2 3.66Å; I565-V579 HydrophobicContact CG2-CG1 3.89Å; K569-V579 HydrophobicContact CB-CG2 4.02Å; K569-V579 HydrophobicContact CD-CG2 3.88Å; K569-V579 HydrophobicContact CG-CG2 3.84Å; I574-V579 HydrophobicContact CB-CG2 4.27Å; I574-V579 HydrophobicContact CG2-CG2 3.74Å; S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 3.28Å; L576-V579 PolarHBondContact O-N 2.9Å; K577-V579 VanDerWaalsContact C-N 3.35Å; K577-V579 PolarHBondContact O-N 2.82Å; V579-L583 WeakPolarHBondContact O-CB 3.21Å; V579-L583 PolarHBondContact O-N 2.95Å; V579-Y622 HydrophobicContact CG1-CE1 4.44Å
580	M	83.3	Confident	85.3	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-42	178.2	-69.8	-175.4	76.4	0	0	112.9	L576 K577 E578 I582 T584 V623 D628	L576-M580 VanDerWaalsContact O-CG 3.31Å; L576-M580 WeakPolarHBondContact O-CG 3.48Å; L576-M580 PolarHBondContact O-N 2.86Å; L576-M580 VanDerWaalsContact O-N 3.14Å; K577-M580 WeakPolarHBondContact O-CB 3.22Å; K577-M580 PolarHBondContact O-N 3.47Å; E578-M580 VanDerWaalsContact C-N 3.25Å; E578-M580 PolarHBondContact O-N 3.35Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-T584 WeakPolarHBondContact O-CB 3.4Å; M580-T584 PolarHBondContact O-N 3.01Å; M580-T584 PolarHBondContact O-OG1 2.72Å; M580-V623 HydrophobicContact CE-CB 3.75Å; M580-V623 HydrophobicContact CE-CG1 3.98Å; M580-V623 HydrophobicContact CE-CG2 3.27Å; M580-D628 HydrophobicContact CE-CB 3.68Å; M580-D628 WeakPolarHBondContact CE-O 3.4Å; M580-D628 HydrophobicContact SD-CB 3.63Å
581	Q	84	Confident	85	Confident	52 Å²	52	35.7 Å²	35.7	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-45.8	176.4	-67.7	-179.7	-41.7	0	0	110.9	K577 E578 T584 S585 A635	K577-Q581 WeakPolarHBondContact O-CG 3.36Å; K577-Q581 PolarHBondContact O-N 2.79Å; K577-Q581 VanDerWaalsContact O-N 3.08Å; E578-Q581 PolarHBondContact O-N 2.9Å; Q581-T584 PolarHBondContact O-N 2.7Å; Q581-S585 PolarHBondContact O-N 3.38Å; Q581-A635 HydrophobicContact CB-CB 3.91Å; Q581-A635 HydrophobicContact CG-CB 4.06Å
582	I	86	Confident	84.6	Confident	11 Å²	11	33.4 Å²	33.4	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-47	179.1	-64.9	163.2	0	0	0	110.6	V537 F540 Q541 E578 M580 T584 S585 V586	V537-I582 HydrophobicContact CG1-CD1 3.72Å; V537-I582 HydrophobicContact CG1-CG1 4.34Å; F540-I582 HydrophobicContact CD1-CB 4.38Å; F540-I582 HydrophobicContact CD1-CD1 3.52Å; F540-I582 HydrophobicContact CD1-CG2 3.91Å; F540-I582 HydrophobicContact CE1-CB 4.25Å; F540-I582 HydrophobicContact CE1-CD1 3.89Å; F540-I582 HydrophobicContact CE1-CG2 4.03Å; Q541-I582 HydrophobicContact CB-CG2 3.79Å; Q541-I582 HydrophobicContact CG-CG2 4.01Å; E578-I582 HydrophobicContact CB-CD1 4.41Å; E578-I582 WeakPolarHBondContact O-CB 3.38Å; E578-I582 WeakPolarHBondContact O-CD1 3.31Å; E578-I582 WeakPolarHBondContact O-CG1 3.39Å; E578-I582 PolarHBondContact O-N 2.82Å; M580-I582 VanDerWaalsContact C-N 3.34Å; I582-T584 PolarHBondContact O-N 2.78Å; I582-S585 PolarHBondContact O-N 2.92Å; I582-V586 HydrophobicContact CG2-CG2 3.91Å; I582-V586 VanDerWaalsContact O-CB 3.3Å; I582-V586 WeakPolarHBondContact O-CB 3.44Å; I582-V586 WeakPolarHBondContact O-CG2 3.15Å; I582-V586 PolarHBondContact O-N 3.06Å
583	L	87.3	Confident	84	Confident	3 Å²	3	36 Å²	36	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-39.8	176.2	-179.1	65.5	0	0	0	111.4	V544 L548 I565 V579 V587 V618 F619 Y622	V544-L583 HydrophobicContact CG1-CD1 4.29Å; L548-L583 HydrophobicContact CD1-CD1 3.99Å; I565-L583 HydrophobicContact CD1-CD1 4.22Å; V579-L583 WeakPolarHBondContact O-CB 3.21Å; V579-L583 PolarHBondContact O-N 2.95Å; L583-V587 HydrophobicContact CD1-CG2 4.39Å; L583-V587 WeakPolarHBondContact O-CB 3.35Å; L583-V587 VanDerWaalsContact O-CG2 3.22Å; L583-V587 WeakPolarHBondContact O-CG2 3.38Å; L583-V587 PolarHBondContact O-N 3.32Å; L583-V587 VanDerWaalsContact O-N 3.07Å; L583-V618 HydrophobicContact CD2-CG1 4.28Å; L583-F619 HydrophobicContact CD2-CD1 4.18Å; L583-F619 HydrophobicContact CD2-CE1 4.02Å; L583-F619 HydrophobicContact CD2-CZ 4.32Å; L583-F619 HydrophobicContact CG-CE1 4.04Å; L583-F619 HydrophobicContact CG-CZ 4.03Å; L583-Y622 HydrophobicContact CD2-CD2 3.91Å; L583-Y622 HydrophobicContact CD2-CE2 4.39Å
584	T	85.6	Confident	83.2	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-69.5	-46.6	178.8	-53.6	0	0	0	0	111.1	M580 Q581 I582 L588 C632 A635 F636	M580-T584 WeakPolarHBondContact O-CB 3.4Å; M580-T584 PolarHBondContact O-N 3.01Å; M580-T584 PolarHBondContact O-OG1 2.72Å; Q581-T584 PolarHBondContact O-N 2.7Å; I582-T584 PolarHBondContact O-N 2.78Å; T584-L588 HydrophobicContact CG2-CD1 4.05Å; T584-L588 WeakPolarHBondContact O-CB 3.5Å; T584-L588 WeakPolarHBondContact O-CG 3.47Å; T584-L588 PolarHBondContact O-N 2.83Å; T584-L588 VanDerWaalsContact O-N 3.12Å; T584-C632 PolarHBondContact OG1-SG 3.46Å; T584-C632 VanDerWaalsContact OG1-SG 3.38Å; T584-A635 HydrophobicContact CG2-CB 4.27Å; T584-F636 HydrophobicContact CG2-CB 4.44Å
585	S	85.5	Confident	82.3	Confident	21 Å²	21	38.2 Å²	38.2	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-47.7	175.2	142.5	0	0	0	0	111.6	Q541 Q581 I582 V587 L588 E589	Q541-S585 PolarHBondContact NE2-OG 2.68Å; Q581-S585 PolarHBondContact O-N 3.38Å; I582-S585 PolarHBondContact O-N 2.92Å; S585-V587 PolarHBondContact O-N 3.16Å; S585-L588 CarbonylContact O-C 3.6Å; S585-L588 PolarHBondContact O-N 3.5Å; S585-L588 VanDerWaalsContact O-N 3.14Å; S585-E589 VanDerWaalsContact O-CB 3.32Å; S585-E589 WeakPolarHBondContact O-CB 3.32Å; S585-E589 VanDerWaalsContact O-CG 3.27Å; S585-E589 WeakPolarHBondContact O-CG 3.36Å; S585-E589 PolarHBondContact O-N 2.96Å; S585-E589 PolarHBondContact OG-OE1 2.93Å
586	V	86.7	Confident	81.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-47.6	179.2	171	0	0	0	0	111.5	Q541 V544 M545 L548 I582 L588 E589 Y590	Q541-V586 HydrophobicContact CG-CG2 3.65Å; V544-V586 HydrophobicContact CG1-CG1 4.36Å; V544-V586 HydrophobicContact CG1-CG2 4.41Å; M545-V586 HydrophobicContact CB-CG1 3.84Å; M545-V586 HydrophobicContact CE-CB 4.23Å; M545-V586 HydrophobicContact CE-CG1 3.89Å; M545-V586 HydrophobicContact CE-CG2 4.19Å; M545-V586 HydrophobicContact CG-CG1 4.25Å; M545-V586 HydrophobicContact SD-CG1 3.6Å; M545-V586 VanDerWaalsContact SD-CG1 3.6Å; L548-V586 HydrophobicContact CD1-CG1 3.68Å; I582-V586 HydrophobicContact CG2-CG2 3.91Å; I582-V586 VanDerWaalsContact O-CB 3.3Å; I582-V586 WeakPolarHBondContact O-CB 3.44Å; I582-V586 WeakPolarHBondContact O-CG2 3.15Å; I582-V586 PolarHBondContact O-N 3.06Å; V586-L588 VanDerWaalsContact C-N 3.3Å; V586-L588 PolarHBondContact O-N 3.38Å; V586-E589 PolarHBondContact O-N 2.78Å; V586-Y590 WeakPolarHBondContact O-CB 3.47Å; V586-Y590 PolarHBondContact O-N 2.68Å
587	V	86.8	Confident	80.4	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-35.8	179.2	169.6	0	0	0	0	111.7	L548 L583 S585 L608 L612 W615 F619	L548-V587 HydrophobicContact CD1-CG2 3.88Å; L583-V587 HydrophobicContact CD1-CG2 4.39Å; L583-V587 WeakPolarHBondContact O-CB 3.35Å; L583-V587 VanDerWaalsContact O-CG2 3.22Å; L583-V587 WeakPolarHBondContact O-CG2 3.38Å; L583-V587 PolarHBondContact O-N 3.32Å; L583-V587 VanDerWaalsContact O-N 3.07Å; S585-V587 PolarHBondContact O-N 3.16Å; V587-L608 HydrophobicContact CG1-CD1 4.11Å; V587-L608 VanDerWaalsContact O-CD1 3.27Å; V587-L608 WeakPolarHBondContact O-CD1 3.15Å; V587-L612 HydrophobicContact CG1-CD1 4.37Å; V587-W615 HydrophobicContact CB-CE3 4.36Å; V587-W615 HydrophobicContact CB-CZ3 4.33Å; V587-W615 HydrophobicContact CG1-CE3 3.9Å; V587-W615 HydrophobicContact CG1-CZ3 4.04Å; V587-W615 HydrophobicContact CG2-CE3 3.65Å; V587-W615 HydrophobicContact CG2-CZ3 3.84Å; V587-F619 HydrophobicContact CB-CE2 4.41Å; V587-F619 HydrophobicContact CB-CZ 4.1Å; V587-F619 HydrophobicContact CG1-CE2 4.25Å; V587-F619 HydrophobicContact CG1-CZ 4.29Å; V587-F619 HydrophobicContact CG2-CE2 3.92Å; V587-F619 HydrophobicContact CG2-CZ 3.82Å
588	L	84.4	Confident	79.2	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-75.4	-30.4	177.4	-66.9	173.7	0	0	0	112.9	T584 S585 V586 P591 Y604 L608 F636 H639 F640 V653	T584-L588 HydrophobicContact CG2-CD1 4.05Å; T584-L588 WeakPolarHBondContact O-CB 3.5Å; T584-L588 WeakPolarHBondContact O-CG 3.47Å; T584-L588 PolarHBondContact O-N 2.83Å; T584-L588 VanDerWaalsContact O-N 3.12Å; S585-L588 CarbonylContact O-C 3.6Å; S585-L588 PolarHBondContact O-N 3.5Å; S585-L588 VanDerWaalsContact O-N 3.14Å; V586-L588 VanDerWaalsContact C-N 3.3Å; V586-L588 PolarHBondContact O-N 3.38Å; L588-P591 WeakPolarHBondContact O-CD 3.35Å; L588-Y604 WeakPolarHBondContact O-CE2 3.35Å; L588-Y604 PolarHBondContact O-OH 3.22Å; L588-L608 HydrophobicContact CD2-CD2 3.91Å; L588-F636 HydrophobicContact CD1-CD2 3.93Å; L588-F636 HydrophobicContact CD2-CD2 4.44Å; L588-F636 HydrophobicContact CD2-CE2 4.49Å; L588-H639 HydrophobicContact CD1-CB 3.92Å; L588-F640 HydrophobicContact CD1-CE2 4.33Å; L588-F640 HydrophobicContact CD2-CE2 4.27Å; L588-V653 HydrophobicContact CD2-CG1 4.2Å
589	E	83.6	Confident	78.6	Confident	45 Å²	45	38.4 Å²	38.4	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-78.5	-27.9	176.4	-76.6	168.9	-156.7	0	0	113.1	Q541 M545 S585 V586 P591 F592 Q593	Q541-E589 PolarHBondContact NE2-OE1 3.35Å; Q541-E589 PolarHBondContact NE2-OE2 2.79Å; M545-E589 HydrophobicContact CE-CB 4Å; S585-E589 VanDerWaalsContact O-CB 3.32Å; S585-E589 WeakPolarHBondContact O-CB 3.32Å; S585-E589 VanDerWaalsContact O-CG 3.27Å; S585-E589 WeakPolarHBondContact O-CG 3.36Å; S585-E589 PolarHBondContact O-N 2.96Å; S585-E589 PolarHBondContact OG-OE1 2.93Å; V586-E589 PolarHBondContact O-N 2.78Å; E589-P591 VanDerWaalsContact C-CD 3.5Å; E589-F592 WeakPolarHBondContact O-CA 3.16Å; E589-F592 WeakPolarHBondContact O-CB 3.4Å; E589-F592 PolarHBondContact O-N 3.11Å; E589-Q593 PolarHBondContact O-N 3.29Å
590	Y	82.7	Confident	78.1	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-51.8	-44.6	-174.8	-169.6	-92.1	0	0	0	114.6	M545 Q549 L552 V586 F592 Q593 Q594 L611 W615	M545-Y590 HydrophobicContact SD-CD2 4.05Å; Q549-Y590 HydrophobicContact CB-CE2 4.03Å; Q549-Y590 HydrophobicContact CG-CE2 4.47Å; L552-Y590 HydrophobicContact CD2-CE1 3.82Å; L552-Y590 WeakPolarHBondContact CD2-OH 3.48Å; V586-Y590 WeakPolarHBondContact O-CB 3.47Å; V586-Y590 PolarHBondContact O-N 2.68Å; Y590-F592 VanDerWaalsContact C-N 3.26Å; Y590-F592 PolarHBondContact O-N 2.94Å; Y590-Q593 PolarHBondContact O-N 3.3Å; Y590-Q594 HydrophobicContact CD1-CG 4.48Å; Y590-Q594 HydrophobicContact CE1-CG 4.13Å; Y590-Q594 PolarHBondContact O-N 3.29Å; Y590-Q594 PolarHBondContact OH-NE2 3.5Å; Y590-Q594 VanDerWaalsContact OH-NE2 3.14Å; Y590-L611 HydrophobicContact CD1-CD1 3.39Å; Y590-L611 HydrophobicContact CE1-CD1 3.77Å; Y590-L611 HydrophobicContact CE1-CD2 4.18Å; Y590-L611 HydrophobicContact CG-CD1 4.46Å; Y590-W615 HydrophobicContact CD1-CH2 4.05Å; Y590-W615 HydrophobicContact CD2-CH2 4.16Å; Y590-W615 HydrophobicContact CE1-CH2 4.15Å; Y590-W615 HydrophobicContact CE2-CH2 4.31Å; Y590-W615 HydrophobicContact CG-CH2 4.04Å; Y590-W615 HydrophobicContact CG-CZ3 4.49Å
591	P	81.3	Confident	77.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-31.2	176.4	-21.7	34	0	0	0	113.6	L588 E589 Q595 L599 Y604 L607 L608	L588-P591 WeakPolarHBondContact O-CD 3.35Å; E589-P591 VanDerWaalsContact C-CD 3.5Å; P591-Q595 PolarHBondContact O-N 3.13Å; P591-L599 VanDerWaalsContact O-CD1 3.26Å; P591-L599 WeakPolarHBondContact O-CD1 3.32Å; P591-Y604 HydrophobicContact CB-CD2 3.77Å; P591-Y604 HydrophobicContact CB-CE2 3.81Å; P591-Y604 HydrophobicContact CG-CD2 4.14Å; P591-Y604 HydrophobicContact CG-CE2 3.76Å; P591-L607 HydrophobicContact CB-CB 4.29Å; P591-L608 HydrophobicContact CG-CB 4.05Å; P591-L608 HydrophobicContact CG-CD1 3.93Å
592	F	78.1	Confident	77.1	Confident	29 Å²	29	45 Å²	45	13%	0.127	25%	0.252	C	S	.	.	H	α-helix	trans	-72.2	-30.7	179	-66.6	-74.3	0	0	0	112.5	E589 Y590 G596 L599 Y604 H639 Q643 H646	E589-F592 WeakPolarHBondContact O-CA 3.16Å; E589-F592 WeakPolarHBondContact O-CB 3.4Å; E589-F592 PolarHBondContact O-N 3.11Å; Y590-F592 VanDerWaalsContact C-N 3.26Å; Y590-F592 PolarHBondContact O-N 2.94Å; F592-G596 CarbonylContact O-C 3.6Å; F592-G596 WeakPolarHBondContact O-CA 3.14Å; F592-G596 PolarHBondContact O-N 3.12Å; F592-L599 HydrophobicContact CD1-CB 4.5Å; F592-L599 HydrophobicContact CD1-CD1 3.73Å; F592-L599 HydrophobicContact CE1-CB 4.35Å; F592-L599 HydrophobicContact CE1-CD1 4.31Å; F592-L599 HydrophobicContact CG-CD1 4.32Å; F592-Y604 HydrophobicContact CD2-CD2 4.33Å; F592-Y604 AromaticContact CD2-CE2 3.74Å; F592-Y604 HydrophobicContact CD2-CE2 3.74Å; F592-Y604 HydrophobicContact CE1-CD2 4.22Å; F592-Y604 HydrophobicContact CE1-CE2 4.44Å; F592-Y604 AromaticContact CE2-CD2 3.79Å; F592-Y604 HydrophobicContact CE2-CD2 3.79Å; F592-Y604 AromaticContact CE2-CE2 3.2Å; F592-Y604 HydrophobicContact CE2-CE2 3.2Å; F592-Y604 AromaticContact CE2-CZ 3.86Å; F592-Y604 AromaticContact CZ-CD2 3.73Å; F592-Y604 HydrophobicContact CZ-CD2 3.73Å; F592-Y604 AromaticContact CZ-CE2 3.61Å; F592-Y604 HydrophobicContact CZ-CE2 3.61Å; F592-H639 AromaticContact CE2-NE2 3.77Å; F592-Q643 HydrophobicContact CZ-CG 4.48Å; F592-H646 AromaticContact CE1-CE1 3.57Å; F592-H646 AromaticContact CE1-NE2 3.63Å; F592-H646 AromaticContact CZ-CE1 3.79Å; F592-H646 AromaticContact CZ-ND1 3.91Å; F592-H646 AromaticContact CZ-NE2 3.9Å
593	Q	73.6	Confident	76.6	Confident	117 Å²	117	48.9 Å²	48.9	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-71.6	-35.9	174.7	-70.8	-168.2	-11.7	0	0	112.5	M545 E589 Y590	M545-Q593 PolarHBondContact SD-OE1 2.97Å; M545-Q593 VanDerWaalsContact SD-OE1 3.39Å; E589-Q593 PolarHBondContact O-N 3.29Å; Y590-Q593 PolarHBondContact O-N 3.3Å
594	Q	69.8	Low	76.3	Confident	97 Å²	97	48.8 Å²	48.8	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-72	-32.6	-178	-69.8	-165.8	-22.8	0	0	114.5	Y590	Y590-Q594 HydrophobicContact CD1-CG 4.48Å; Y590-Q594 HydrophobicContact CE1-CG 4.13Å; Y590-Q594 PolarHBondContact O-N 3.29Å; Y590-Q594 PolarHBondContact OH-NE2 3.5Å; Y590-Q594 VanDerWaalsContact OH-NE2 3.14Å
595	Q	66.7	Low	76	Confident	111 Å²	111	49.3 Å²	49.3	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-124.3	2.6	-175	-61.2	-165.2	-7.3	0	0	114.7	P591 L599 L607	P591-Q595 PolarHBondContact O-N 3.13Å; Q595-L599 HydrophobicContact CB-CD1 4.15Å; Q595-L599 HydrophobicContact CB-CD2 4.14Å; Q595-L599 HydrophobicContact CB-CG 4.16Å; Q595-L607 HydrophobicContact CG-CD1 4.13Å
596	G	66.6	Low	75.7	Confident	23 Å²	23	51.4 Å²	51.4	24%	0.237	29%	0.291	C	S	.	.			trans	78.6	-179.6	179.7	0	0	0	0	0	114.6	F592 N598 L599	F592-G596 CarbonylContact O-C 3.6Å; F592-G596 WeakPolarHBondContact O-CA 3.14Å; F592-G596 PolarHBondContact O-N 3.12Å; G596-N598 PolarHBondContact O-N 3.22Å; G596-N598 VanDerWaalsContact O-N 3.08Å; G596-L599 WeakPolarHBondContact O-CD1 3.16Å
597	P	62.1	Low	75.4	Confident	117 Å²	117	53.5 Å²	53.5	76%	0.76	30%	0.302	S	S	*	.	S	Bend	trans	-72.3	-2.7	-167.8	26.5	-34.4	0	0	0	116
598	N	59.8	Low	75.2	Confident	154 Å²	154	53.4 Å²	53.4	82%	0.824	30%	0.302	S	S	*	.			trans	-105.4	46.2	-174.8	-71.7	-32.2	0	0	0	113.3	G596	G596-N598 PolarHBondContact O-N 3.22Å; G596-N598 VanDerWaalsContact O-N 3.08Å
599	L	71.4	Confident	75.2	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	31%	0.313	C	S	.	.			trans	-85.2	128.8	177.5	-86.5	141.9	0	0	0	112.4	P591 F592 Q595 G596 Q603 L607 H646	P591-L599 VanDerWaalsContact O-CD1 3.26Å; P591-L599 WeakPolarHBondContact O-CD1 3.32Å; F592-L599 HydrophobicContact CD1-CB 4.5Å; F592-L599 HydrophobicContact CD1-CD1 3.73Å; F592-L599 HydrophobicContact CE1-CB 4.35Å; F592-L599 HydrophobicContact CE1-CD1 4.31Å; F592-L599 HydrophobicContact CG-CD1 4.32Å; Q595-L599 HydrophobicContact CB-CD1 4.15Å; Q595-L599 HydrophobicContact CB-CD2 4.14Å; Q595-L599 HydrophobicContact CB-CG 4.16Å; G596-L599 WeakPolarHBondContact O-CD1 3.16Å; L599-Q603 HydrophobicContact CD2-CB 3.97Å; L599-L607 HydrophobicContact CD2-CD1 3.95Å; L599-H646 PolarHBondContact O-NE2 3.02Å
600	T	74.9	Confident	75.2	Confident	61 Å²	61	57.1 Å²	57.1	37%	0.374	33%	0.327	S	S	.	.			trans	-70.4	148.1	168.6	61.9	0	0	0	0	110.8	S602 Q603 Y604	T600-S602 PolarHBondContact O-N 2.92Å; T600-S602 PolarHBondContact OG1-OG 3.16Å; T600-Q603 PolarHBondContact O-N 3.33Å; T600-Q603 VanDerWaalsContact OG1-CG 3.28Å; T600-Q603 WeakPolarHBondContact OG1-CG 3.34Å; T600-Q603 PolarHBondContact OG1-OE1 3.31Å; T600-Y604 PolarHBondContact O-N 3.4Å
601	P	72.4	Confident	75.2	Confident	48 Å²	48	57.4 Å²	57.4	31%	0.312	33%	0.329	S	S	.	.	H	α-helix	trans	-56.1	-28.8	-179.5	-27.9	35.2	0	0	0	114.3	V605 A649	P601-V605 VanDerWaalsContact O-CG2 3.32Å; P601-V605 WeakPolarHBondContact O-CG2 3.46Å; P601-V605 PolarHBondContact O-N 3.36Å; P601-A649 HydrophobicContact CB-CB 4.4Å
602	S	73.3	Confident	75.3	Confident	86 Å²	86	57.5 Å²	57.5	60%	0.601	33%	0.329	S	S	*	.	H	α-helix	trans	-73.7	-36.3	175.9	44.4	0	0	0	0	113.8	T600 A606	T600-S602 PolarHBondContact O-N 2.92Å; T600-S602 PolarHBondContact OG1-OG 3.16Å; S602-A606 PolarHBondContact O-N 3.17Å
603	Q	76.8	Confident	75.6	Confident	92 Å²	92	62.7 Å²	62.7	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-74.9	-39.4	178.1	-74.6	164	-26.4	0	0	110.8	L599 T600 V605 A606 L607	L599-Q603 HydrophobicContact CD2-CB 3.97Å; T600-Q603 PolarHBondContact O-N 3.33Å; T600-Q603 VanDerWaalsContact OG1-CG 3.28Å; T600-Q603 WeakPolarHBondContact OG1-CG 3.34Å; T600-Q603 PolarHBondContact OG1-OE1 3.31Å; Q603-V605 PolarHBondContact O-N 3.41Å; Q603-A606 PolarHBondContact O-N 3.42Å; Q603-A606 VanDerWaalsContact O-N 3.15Å; Q603-L607 WeakPolarHBondContact O-CG 3.43Å; Q603-L607 PolarHBondContact O-N 3.06Å; Q603-L607 VanDerWaalsContact O-N 3.11Å
604	Y	80.4	Confident	76	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-54.8	-49.4	173.9	179.6	-102.1	0	0	0	112	L588 P591 F592 T600 A606 L607 L608 F640 A649 V653	L588-Y604 WeakPolarHBondContact O-CE2 3.35Å; L588-Y604 PolarHBondContact O-OH 3.22Å; P591-Y604 HydrophobicContact CB-CD2 3.77Å; P591-Y604 HydrophobicContact CB-CE2 3.81Å; P591-Y604 HydrophobicContact CG-CD2 4.14Å; P591-Y604 HydrophobicContact CG-CE2 3.76Å; F592-Y604 HydrophobicContact CD2-CD2 4.33Å; F592-Y604 AromaticContact CD2-CE2 3.74Å; F592-Y604 HydrophobicContact CD2-CE2 3.74Å; F592-Y604 HydrophobicContact CE1-CD2 4.22Å; F592-Y604 HydrophobicContact CE1-CE2 4.44Å; F592-Y604 AromaticContact CE2-CD2 3.79Å; F592-Y604 HydrophobicContact CE2-CD2 3.79Å; F592-Y604 AromaticContact CE2-CE2 3.2Å; F592-Y604 HydrophobicContact CE2-CE2 3.2Å; F592-Y604 AromaticContact CE2-CZ 3.86Å; F592-Y604 AromaticContact CZ-CD2 3.73Å; F592-Y604 HydrophobicContact CZ-CD2 3.73Å; F592-Y604 AromaticContact CZ-CE2 3.61Å; F592-Y604 HydrophobicContact CZ-CE2 3.61Å; T600-Y604 PolarHBondContact O-N 3.4Å; Y604-A606 VanDerWaalsContact C-N 3.35Å; Y604-A606 PolarHBondContact O-N 3.2Å; Y604-L607 PolarHBondContact O-N 2.91Å; Y604-L608 HydrophobicContact CE1-CD2 3.74Å; Y604-L608 WeakPolarHBondContact O-CB 3.42Å; Y604-L608 PolarHBondContact O-N 2.91Å; Y604-F640 HydrophobicContact CE1-CZ 4.42Å; Y604-A649 HydrophobicContact CD1-CB 3.91Å; Y604-A649 HydrophobicContact CE1-CB 4.48Å; Y604-V653 HydrophobicContact CE1-CG2 4.42Å
605	V	78.8	Confident	76.8	Confident	12 Å²	12	55.3 Å²	55.3	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-39.1	177.2	174.9	0	0	0	0	111.8	P601 Q603 L607 L608 L609 A649 K652	P601-V605 VanDerWaalsContact O-CG2 3.32Å; P601-V605 WeakPolarHBondContact O-CG2 3.46Å; P601-V605 PolarHBondContact O-N 3.36Å; Q603-V605 PolarHBondContact O-N 3.41Å; V605-L607 VanDerWaalsContact C-N 3.27Å; V605-L607 PolarHBondContact O-N 2.8Å; V605-L608 PolarHBondContact O-N 2.88Å; V605-L609 HydrophobicContact CG1-CD1 3.52Å; V605-L609 HydrophobicContact CG1-CG 3.83Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 2.78Å; V605-L609 VanDerWaalsContact O-N 3.13Å; V605-A649 HydrophobicContact CG2-CB 3.5Å; V605-K652 HydrophobicContact CG1-CB 4.24Å; V605-K652 HydrophobicContact CG1-CD 4.06Å; V605-K652 HydrophobicContact CG2-CB 4.37Å; V605-K652 HydrophobicContact CG2-CD 4.33Å
606	A	80.6	Confident	77.6	Confident	65 Å²	65	50.4 Å²	50.4	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-32.6	-179.8	0	0	0	0	0	113.1	S602 Q603 Y604 P610	S602-A606 PolarHBondContact O-N 3.17Å; Q603-A606 PolarHBondContact O-N 3.42Å; Q603-A606 VanDerWaalsContact O-N 3.15Å; Y604-A606 VanDerWaalsContact C-N 3.35Å; Y604-A606 PolarHBondContact O-N 3.2Å; A606-P610 WeakPolarHBondContact O-CD 3.25Å; A606-P610 WeakPolarHBondContact O-CG 3.23Å
607	L	79.8	Confident	78.4	Confident	45 Å²	45	52.6 Å²	52.6	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-83.6	-38.6	178.1	-66.2	169.4	0	0	0	112.6	P591 Q595 L599 Q603 Y604 V605 P610 L611	P591-L607 HydrophobicContact CB-CB 4.29Å; Q595-L607 HydrophobicContact CG-CD1 4.13Å; L599-L607 HydrophobicContact CD2-CD1 3.95Å; Q603-L607 WeakPolarHBondContact O-CG 3.43Å; Q603-L607 PolarHBondContact O-N 3.06Å; Q603-L607 VanDerWaalsContact O-N 3.11Å; Y604-L607 PolarHBondContact O-N 2.91Å; V605-L607 VanDerWaalsContact C-N 3.27Å; V605-L607 PolarHBondContact O-N 2.8Å; L607-P610 WeakPolarHBondContact O-CD 3.3Å; L607-L611 WeakPolarHBondContact O-CD1 3.36Å; L607-L611 WeakPolarHBondContact O-CG 3.46Å
608	L	83	Confident	79.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-74.5	-36.6	-175.7	-174.5	63.6	0	0	0	113.1	V587 L588 P591 Y604 V605 L611 L612 V653	V587-L608 HydrophobicContact CG1-CD1 4.11Å; V587-L608 VanDerWaalsContact O-CD1 3.27Å; V587-L608 WeakPolarHBondContact O-CD1 3.15Å; L588-L608 HydrophobicContact CD2-CD2 3.91Å; P591-L608 HydrophobicContact CG-CB 4.05Å; P591-L608 HydrophobicContact CG-CD1 3.93Å; Y604-L608 HydrophobicContact CE1-CD2 3.74Å; Y604-L608 WeakPolarHBondContact O-CB 3.42Å; Y604-L608 PolarHBondContact O-N 2.91Å; V605-L608 PolarHBondContact O-N 2.88Å; L608-L611 WeakPolarHBondContact O-CB 3.43Å; L608-L611 PolarHBondContact O-N 3.12Å; L608-L612 WeakPolarHBondContact O-CB 3.46Å; L608-L612 PolarHBondContact O-N 3.25Å; L608-V653 HydrophobicContact CD2-CB 4.43Å; L608-V653 HydrophobicContact CD2-CG1 3.85Å; L608-V653 HydrophobicContact CD2-CG2 3.62Å
609	L	82.8	Confident	80.7	Confident	47 Å²	47	39.9 Å²	39.9	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-44.3	-175.4	-69.2	179.7	0	0	0	114.3	V605 L611 K613 S656	V605-L609 HydrophobicContact CG1-CD1 3.52Å; V605-L609 HydrophobicContact CG1-CG 3.83Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 2.78Å; V605-L609 VanDerWaalsContact O-N 3.13Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L609-L611 PolarHBondContact O-N 2.89Å; L609-K613 WeakPolarHBondContact O-CG 3.48Å; L609-K613 PolarHBondContact O-N 2.79Å; L609-K613 VanDerWaalsContact O-N 3.12Å; L609-S656 VanDerWaalsContact CD2-CB 3.48Å; L609-S656 WeakPolarHBondContact CD2-OG 3.09Å
610	P	83.5	Confident	81.3	Confident	79 Å²	79	43.3 Å²	43.3	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-38	173.5	-23.3	34.4	0	0	0	113.1	A606 L607 K613 K614	A606-P610 WeakPolarHBondContact O-CD 3.25Å; A606-P610 WeakPolarHBondContact O-CG 3.23Å; L607-P610 WeakPolarHBondContact O-CD 3.3Å; P610-K613 PolarHBondContact O-N 2.86Å; P610-K614 PolarHBondContact O-N 3.22Å
611	L	83.1	Confident	81.8	Confident	11 Å²	11	43.6 Å²	43.6	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-45.5	178.7	-64.4	172.3	0	0	0	111.4	L552 Y590 L607 L608 L609 K613 K614 W615	L552-L611 HydrophobicContact CD1-CD2 3.64Å; L552-L611 HydrophobicContact CD2-CD2 3.69Å; L552-L611 HydrophobicContact CG-CD2 4.31Å; Y590-L611 HydrophobicContact CD1-CD1 3.39Å; Y590-L611 HydrophobicContact CE1-CD1 3.77Å; Y590-L611 HydrophobicContact CE1-CD2 4.18Å; Y590-L611 HydrophobicContact CG-CD1 4.46Å; L607-L611 WeakPolarHBondContact O-CD1 3.36Å; L607-L611 WeakPolarHBondContact O-CG 3.46Å; L608-L611 WeakPolarHBondContact O-CB 3.43Å; L608-L611 PolarHBondContact O-N 3.12Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L609-L611 PolarHBondContact O-N 2.89Å; L611-K613 VanDerWaalsContact C-N 3.27Å; L611-K613 PolarHBondContact O-N 3.23Å; L611-K614 PolarHBondContact O-N 2.73Å; L611-K614 VanDerWaalsContact O-N 3.08Å; L611-W615 HydrophobicContact CB-CE3 4.02Å; L611-W615 HydrophobicContact CB-CH2 4.38Å; L611-W615 HydrophobicContact CB-CZ3 3.89Å; L611-W615 HydrophobicContact CD1-CH2 4.42Å; L611-W615 HydrophobicContact CD1-CZ3 4.36Å; L611-W615 HydrophobicContact CD2-CH2 4.02Å; L611-W615 HydrophobicContact CD2-CZ2 4.21Å; L611-W615 HydrophobicContact CD2-CZ3 4.38Å; L611-W615 HydrophobicContact CG-CZ3 4.44Å; L611-W615 PolarHBondContact O-N 3.19Å
612	L	83.9	Confident	82.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-38.2	177.1	-162	77.1	0	0	0	111.4	V587 L608 A616 F619 M657 L660 I662	V587-L612 HydrophobicContact CG1-CD1 4.37Å; L608-L612 WeakPolarHBondContact O-CB 3.46Å; L608-L612 PolarHBondContact O-N 3.25Å; L612-A616 WeakPolarHBondContact O-CB 3.43Å; L612-A616 PolarHBondContact O-N 3.32Å; L612-F619 HydrophobicContact CD1-CE2 4.46Å; L612-M657 HydrophobicContact CD1-CE 4.44Å; L612-M657 HydrophobicContact CD1-CG 4.26Å; L612-M657 HydrophobicContact CD2-CG 3.73Å; L612-L660 HydrophobicContact CB-CD1 4.25Å; L612-L660 HydrophobicContact CD2-CD1 3.79Å; L612-L660 HydrophobicContact CG-CD1 3.84Å; L612-I662 HydrophobicContact CD1-CD1 4.27Å; L612-I662 HydrophobicContact CG-CD1 4.21Å
613	K	84	Confident	82.7	Confident	137 Å²	137	38 Å²	38	60%	0.596	21%	0.205	S	C	*	.	H	α-helix	trans	-64.3	-42	173.3	-74.9	-179.8	179.3	-173.5	0	112.6	L609 P610 L611 L660	L609-K613 WeakPolarHBondContact O-CG 3.48Å; L609-K613 PolarHBondContact O-N 2.79Å; L609-K613 VanDerWaalsContact O-N 3.12Å; P610-K613 PolarHBondContact O-N 2.86Å; L611-K613 VanDerWaalsContact C-N 3.27Å; L611-K613 PolarHBondContact O-N 3.23Å; K613-L660 HydrophobicContact CG-CD1 4.06Å; K613-L660 HydrophobicContact CG-CD2 3.96Å
614	K	83.1	Confident	82.9	Confident	57 Å²	57	39.9 Å²	39.9	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-39.6	179.1	-167	-179.3	-175.6	-174.6	0	111.5	G551 L552 N555 C558 P610 L611 P617	G551-K614 PolarHBondContact O-NZ 3.32Å; G551-K614 VanDerWaalsContact O-NZ 3.13Å; L552-K614 HydrophobicContact CD1-CD 3.96Å; N555-K614 WeakPolarHBondContact OD1-CE 3.4Å; N555-K614 PolarHBondContact OD1-NZ 3.15Å; C558-K614 PolarHBondContact SG-O 2.75Å; C558-K614 VanDerWaalsContact SG-O 3.35Å; P610-K614 PolarHBondContact O-N 3.22Å; L611-K614 PolarHBondContact O-N 2.73Å; L611-K614 VanDerWaalsContact O-N 3.08Å; K614-P617 WeakPolarHBondContact O-CD 3.23Å
615	W	84.9	Confident	83.1	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-95.3	-0.3	-176.1	-60.4	-34.5	0	0	0	114.7	L548 V587 Y590 L611 P617 V618 F619	L548-W615 HydrophobicContact CB-CH2 4.12Å; L548-W615 HydrophobicContact CB-CZ2 3.89Å; L548-W615 HydrophobicContact CD2-CD2 4.24Å; L548-W615 HydrophobicContact CD2-CZ2 4.26Å; V587-W615 HydrophobicContact CB-CE3 4.36Å; V587-W615 HydrophobicContact CB-CZ3 4.33Å; V587-W615 HydrophobicContact CG1-CE3 3.9Å; V587-W615 HydrophobicContact CG1-CZ3 4.04Å; V587-W615 HydrophobicContact CG2-CE3 3.65Å; V587-W615 HydrophobicContact CG2-CZ3 3.84Å; Y590-W615 HydrophobicContact CD1-CH2 4.05Å; Y590-W615 HydrophobicContact CD2-CH2 4.16Å; Y590-W615 HydrophobicContact CE1-CH2 4.15Å; Y590-W615 HydrophobicContact CE2-CH2 4.31Å; Y590-W615 HydrophobicContact CG-CH2 4.04Å; Y590-W615 HydrophobicContact CG-CZ3 4.49Å; L611-W615 HydrophobicContact CB-CE3 4.02Å; L611-W615 HydrophobicContact CB-CH2 4.38Å; L611-W615 HydrophobicContact CB-CZ3 3.89Å; L611-W615 HydrophobicContact CD1-CH2 4.42Å; L611-W615 HydrophobicContact CD1-CZ3 4.36Å; L611-W615 HydrophobicContact CD2-CH2 4.02Å; L611-W615 HydrophobicContact CD2-CZ2 4.21Å; L611-W615 HydrophobicContact CD2-CZ3 4.38Å; L611-W615 HydrophobicContact CG-CZ3 4.44Å; L611-W615 PolarHBondContact O-N 3.19Å; W615-P617 VanDerWaalsContact C-N 3.3Å; W615-V618 WeakPolarHBondContact O-CA 3.21Å; W615-V618 VanDerWaalsContact O-CB 3.31Å; W615-V618 WeakPolarHBondContact O-CB 3.29Å; W615-V618 PolarHBondContact O-N 3.21Å; W615-F619 HydrophobicContact CB-CD2 4.49Å; W615-F619 HydrophobicContact CB-CE2 4.46Å; W615-F619 WeakPolarHBondContact O-CD2 3.36Å; W615-F619 PolarHBondContact O-N 3.1Å; W615-F619 VanDerWaalsContact O-N 3.17Å
616	A	83.9	Confident	83.2	Confident	9 Å²	9	50.3 Å²	50.3	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-51.1	-40.9	175.5	0	0	0	0	0	113.8	L612 V618 F619 K620 L660 I662	L612-A616 WeakPolarHBondContact O-CB 3.43Å; L612-A616 PolarHBondContact O-N 3.32Å; A616-V618 VanDerWaalsContact C-N 3.28Å; A616-V618 PolarHBondContact O-N 2.79Å; A616-F619 PolarHBondContact O-N 2.8Å; A616-K620 WeakPolarHBondContact O-CG 3.5Å; A616-K620 PolarHBondContact O-N 2.92Å; A616-L660 HydrophobicContact CB-CB 4.35Å; A616-L660 HydrophobicContact CB-CD1 4.4Å; A616-I662 HydrophobicContact CB-CD1 4.27Å
617	P	84.9	Confident	83.1	Confident	68 Å²	68	52.3 Å²	52.3	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-32.7	176.1	-22.5	34.9	0	0	0	113.5	C558 K614 W615 N621	C558-P617 HydrophobicContact CB-CB 3.92Å; C558-P617 HydrophobicContact CB-CG 4.44Å; K614-P617 WeakPolarHBondContact O-CD 3.23Å; W615-P617 VanDerWaalsContact C-N 3.3Å; P617-N621 PolarHBondContact O-N 3.33Å
618	V	85.5	Confident	83.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-49.1	175.9	-177	0	0	0	0	109.3	C558 L561 V562 I565 L583 W615 A616 K620 N621 Y622	C558-V618 HydrophobicContact CB-CG2 3.95Å; L561-V618 HydrophobicContact CB-CG2 4.43Å; V562-V618 HydrophobicContact CG2-CB 4.43Å; V562-V618 HydrophobicContact CG2-CG1 4.06Å; V562-V618 HydrophobicContact CG2-CG2 4.41Å; I565-V618 HydrophobicContact CD1-CG1 4.13Å; L583-V618 HydrophobicContact CD2-CG1 4.28Å; W615-V618 WeakPolarHBondContact O-CA 3.21Å; W615-V618 VanDerWaalsContact O-CB 3.31Å; W615-V618 WeakPolarHBondContact O-CB 3.29Å; W615-V618 PolarHBondContact O-N 3.21Å; A616-V618 VanDerWaalsContact C-N 3.28Å; A616-V618 PolarHBondContact O-N 2.79Å; V618-K620 PolarHBondContact O-N 2.79Å; V618-N621 PolarHBondContact O-N 3.2Å; V618-N621 VanDerWaalsContact O-N 3.11Å; V618-Y622 HydrophobicContact CG1-CD2 4.12Å; V618-Y622 HydrophobicContact CG1-CE2 3.79Å; V618-Y622 WeakPolarHBondContact O-CD2 3.39Å; V618-Y622 PolarHBondContact O-N 3.18Å
619	F	83.8	Confident	83.2	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-44.2	176	-80.4	-80.3	0	0	0	112.5	L583 V587 L612 W615 A616 N621 Y622 V623 I662	L583-F619 HydrophobicContact CD2-CD1 4.18Å; L583-F619 HydrophobicContact CD2-CE1 4.02Å; L583-F619 HydrophobicContact CD2-CZ 4.32Å; L583-F619 HydrophobicContact CG-CE1 4.04Å; L583-F619 HydrophobicContact CG-CZ 4.03Å; V587-F619 HydrophobicContact CB-CE2 4.41Å; V587-F619 HydrophobicContact CB-CZ 4.1Å; V587-F619 HydrophobicContact CG1-CE2 4.25Å; V587-F619 HydrophobicContact CG1-CZ 4.29Å; V587-F619 HydrophobicContact CG2-CE2 3.92Å; V587-F619 HydrophobicContact CG2-CZ 3.82Å; L612-F619 HydrophobicContact CD1-CE2 4.46Å; W615-F619 HydrophobicContact CB-CD2 4.49Å; W615-F619 HydrophobicContact CB-CE2 4.46Å; W615-F619 WeakPolarHBondContact O-CD2 3.36Å; W615-F619 PolarHBondContact O-N 3.1Å; W615-F619 VanDerWaalsContact O-N 3.17Å; A616-F619 PolarHBondContact O-N 2.8Å; F619-N621 PolarHBondContact O-N 3.3Å; F619-N621 VanDerWaalsContact O-N 3.12Å; F619-Y622 PolarHBondContact O-N 3.18Å; F619-V623 HydrophobicContact CB-CG2 4.43Å; F619-V623 HydrophobicContact CD1-CG2 4.27Å; F619-V623 WeakPolarHBondContact O-CB 3.45Å; F619-V623 VanDerWaalsContact O-CG2 3.3Å; F619-V623 WeakPolarHBondContact O-CG2 3.33Å; F619-V623 PolarHBondContact O-N 3.19Å; F619-I662 HydrophobicContact CB-CD1 4.13Å; F619-I662 HydrophobicContact CB-CG1 4.11Å; F619-I662 HydrophobicContact CB-CG2 3.83Å; F619-I662 HydrophobicContact CD1-CG2 4.23Å; F619-I662 HydrophobicContact CD2-CD1 4.3Å; F619-I662 HydrophobicContact CG-CD1 4.28Å; F619-I662 HydrophobicContact CG-CG2 4.18Å
620	K	83.6	Confident	83.1	Confident	82 Å²	82	50.3 Å²	50.3	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-22.9	177.4	-73.6	-171.8	-179.9	-169.7	0	113.6	A616 V618 L660 E661	A616-K620 WeakPolarHBondContact O-CG 3.5Å; A616-K620 PolarHBondContact O-N 2.92Å; V618-K620 PolarHBondContact O-N 2.79Å; K620-L660 WeakPolarHBondContact CE-O 3.3Å; K620-L660 PolarHBondContact NZ-O 2.94Å; K620-E661 IonicContact NZ-OE2 3.63Å; K620-E661 PolarHBondContact NZ-OE2 2.88Å
621	N	85.3	Confident	83	Confident	66 Å²	66	47.1 Å²	47.1	35%	0.353	23%	0.225	S	C	.	.	H	α-helix	trans	-79.3	-31.7	176.5	-162.1	26.2	0	0	0	113.2	V562 P617 V618 F619 K624	V562-N621 WeakPolarHBondContact CG1-ND2 3.39Å; V562-N621 HydrophobicContact CG2-CB 4.29Å; P617-N621 PolarHBondContact O-N 3.33Å; V618-N621 PolarHBondContact O-N 3.2Å; V618-N621 VanDerWaalsContact O-N 3.11Å; F619-N621 PolarHBondContact O-N 3.3Å; F619-N621 VanDerWaalsContact O-N 3.12Å; N621-K624 WeakPolarHBondContact O-CE 3.33Å; N621-K624 PolarHBondContact O-NZ 3.34Å; N621-K624 PolarHBondContact OD1-NZ 2.8Å
622	Y	83.1	Confident	83	Confident	8 Å²	8	46.6 Å²	46.6	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-91.6	-40.3	-179.4	-66.7	-71.1	0	0	0	113	V562 I565 N566 L576 V579 L583 V618 F619 K624	V562-Y622 HydrophobicContact CG2-CE2 4.24Å; V562-Y622 PolarHBondContact O-OH 3.31Å; I565-Y622 WeakPolarHBondContact CB-OH 3.12Å; I565-Y622 HydrophobicContact CG2-CE2 4.4Å; I565-Y622 WeakPolarHBondContact CG2-OH 3.45Å; N566-Y622 WeakPolarHBondContact OD1-CE1 3.49Å; N566-Y622 PolarHBondContact OD1-OH 3.08Å; N566-Y622 VanDerWaalsContact OD1-OH 3.04Å; L576-Y622 HydrophobicContact CD1-CD1 4.09Å; V579-Y622 HydrophobicContact CG1-CE1 4.44Å; L583-Y622 HydrophobicContact CD2-CD2 3.91Å; L583-Y622 HydrophobicContact CD2-CE2 4.39Å; V618-Y622 HydrophobicContact CG1-CD2 4.12Å; V618-Y622 HydrophobicContact CG1-CE2 3.79Å; V618-Y622 WeakPolarHBondContact O-CD2 3.39Å; V618-Y622 PolarHBondContact O-N 3.18Å; F619-Y622 PolarHBondContact O-N 3.18Å; Y622-K624 PolarHBondContact O-N 3.48Å
623	V	82.1	Confident	83	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.055	22%	0.222	C	C	.	.			trans	-88.6	97.4	-179.1	-163.2	0	0	0	0	109.1	M580 F619 D628 H629 I662	M580-V623 HydrophobicContact CE-CB 3.75Å; M580-V623 HydrophobicContact CE-CG1 3.98Å; M580-V623 HydrophobicContact CE-CG2 3.27Å; F619-V623 HydrophobicContact CB-CG2 4.43Å; F619-V623 HydrophobicContact CD1-CG2 4.27Å; F619-V623 WeakPolarHBondContact O-CB 3.45Å; F619-V623 VanDerWaalsContact O-CG2 3.3Å; F619-V623 WeakPolarHBondContact O-CG2 3.33Å; F619-V623 PolarHBondContact O-N 3.19Å; V623-D628 HydrophobicContact CG1-CB 4.36Å; V623-H629 HydrophobicContact CG1-CB 4.29Å; V623-H629 WeakPolarHBondContact CG1-CE1 3.1Å; V623-H629 WeakPolarHBondContact CG1-ND1 3.44Å; V623-I662 HydrophobicContact CG2-CG2 4.25Å
624	K	81.3	Confident	82.9	Confident	132 Å²	132	41.9 Å²	41.9	57%	0.574	21%	0.209	S	C	*	.			trans	-130	-33.3	-179.5	-70	177.7	179.3	150.7	0	114.4	N621 Y622 D628	N621-K624 WeakPolarHBondContact O-CE 3.33Å; N621-K624 PolarHBondContact O-NZ 3.34Å; N621-K624 PolarHBondContact OD1-NZ 2.8Å; Y622-K624 PolarHBondContact O-N 3.48Å; K624-D628 PolarHBondContact N-OD2 2.94Å
625	R	84.4	Confident	82.8	Confident	187 Å²	187	39.4 Å²	39.4	71%	0.706	20%	0.2	S	C	*	.	S	Bend	trans	-99.4	153.3	-178.6	-56.7	174.4	171.6	-175.2	-1	109.7	Q627 D628 H629	R625-Q627 PolarHBondContact O-N 3.45Å; R625-D628 HydrophobicContact CB-CB 4.49Å; R625-D628 VanDerWaalsContact CB-OD2 3.23Å; R625-D628 WeakPolarHBondContact CB-OD2 3.36Å; R625-D628 WeakPolarHBondContact CG-OD2 3.43Å; R625-D628 PolarHBondContact N-OD2 2.8Å; R625-D628 WeakPolarHBondContact O-CA 3.43Å; R625-D628 VanDerWaalsContact O-CB 3.25Å; R625-D628 WeakPolarHBondContact O-CB 3.21Å; R625-D628 PolarHBondContact O-N 2.85Å; R625-H629 PolarHBondContact O-CD2 3.16Å; R625-H629 PolarHBondContact O-N 3.07Å
626	A	80.3	Confident	82.8	Confident	44 Å²	44	39.4 Å²	39.4	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-48.8	-36.8	173.4	0	0	0	0	0	113.7	L630 M667	A626-L630 WeakPolarHBondContact O-CG 3.34Å; A626-L630 PolarHBondContact O-N 3.39Å; A626-M667 HydrophobicContact CB-CE 3.77Å; A626-M667 HydrophobicContact CB-SD 3.69Å
627	Q	79.9	Confident	82.7	Confident	107 Å²	107	39.8 Å²	39.8	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-69.3	-36.3	177.4	-169.7	60.2	38.3	0	0	112.7	R625 H629 L630 D631	R625-Q627 PolarHBondContact O-N 3.45Å; Q627-H629 VanDerWaalsContact C-N 3.34Å; Q627-L630 PolarHBondContact O-N 3.41Å; Q627-D631 PolarHBondContact O-N 2.92Å
628	D	81.9	Confident	82.6	Confident	20 Å²	20	42 Å²	42	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-38.6	-179.9	-54	-19.4	0	0	0	110.3	M580 V623 K624 R625 D631 C632	M580-D628 HydrophobicContact CE-CB 3.68Å; M580-D628 WeakPolarHBondContact CE-O 3.4Å; M580-D628 HydrophobicContact SD-CB 3.63Å; V623-D628 HydrophobicContact CG1-CB 4.36Å; K624-D628 PolarHBondContact N-OD2 2.94Å; R625-D628 HydrophobicContact CB-CB 4.49Å; R625-D628 VanDerWaalsContact CB-OD2 3.23Å; R625-D628 WeakPolarHBondContact CB-OD2 3.36Å; R625-D628 WeakPolarHBondContact CG-OD2 3.43Å; R625-D628 PolarHBondContact N-OD2 2.8Å; R625-D628 WeakPolarHBondContact O-CA 3.43Å; R625-D628 VanDerWaalsContact O-CB 3.25Å; R625-D628 WeakPolarHBondContact O-CB 3.21Å; R625-D628 PolarHBondContact O-N 2.85Å; D628-D631 PolarHBondContact O-N 2.84Å; D628-C632 WeakPolarHBondContact O-CB 3.33Å; D628-C632 PolarHBondContact O-N 3.5Å
629	H	81.8	Confident	82.3	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-40.7	172.7	-65.3	-79.9	0	0	0	111.9	V623 R625 Q627 L633 I662 L663 M667	V623-H629 HydrophobicContact CG1-CB 4.29Å; V623-H629 WeakPolarHBondContact CG1-CE1 3.1Å; V623-H629 WeakPolarHBondContact CG1-ND1 3.44Å; R625-H629 PolarHBondContact O-CD2 3.16Å; R625-H629 PolarHBondContact O-N 3.07Å; Q627-H629 VanDerWaalsContact C-N 3.34Å; H629-L633 WeakPolarHBondContact O-CB 3.35Å; H629-L633 WeakPolarHBondContact O-CG 3.19Å; H629-L633 PolarHBondContact O-N 3.27Å; H629-I662 PolarHBondContact CE1-O 2.74Å; H629-I662 VanDerWaalsContact CE1-O 3.26Å; H629-I662 PolarHBondContact ND1-O 2.88Å; H629-I662 VanDerWaalsContact ND1-O 3.13Å; H629-L663 HydrophobicContact CB-CD2 4.18Å; H629-M667 HydrophobicContact CB-CB 3.88Å; H629-M667 HydrophobicContact CB-CG 3.91Å
630	L	81.7	Confident	82.1	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-38.2	177.8	-68.8	174.6	0	0	0	112.4	A626 Q627 L633 A634 W671	A626-L630 WeakPolarHBondContact O-CG 3.34Å; A626-L630 PolarHBondContact O-N 3.39Å; Q627-L630 PolarHBondContact O-N 3.41Å; L630-L633 PolarHBondContact O-N 2.84Å; L630-A634 WeakPolarHBondContact O-CB 3.36Å; L630-A634 PolarHBondContact O-N 3.28Å; L630-W671 HydrophobicContact CD2-CB 4.15Å
631	D	80	Confident	82	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-69	-36.5	178.1	-70.3	-34.8	0	0	0	111.5	K577 Q627 D628 A634 A635	K577-D631 WeakPolarHBondContact CE-OD1 3.33Å; K577-D631 HydrophobicContact CG-CB 4.24Å; K577-D631 WeakPolarHBondContact CG-OD2 3.37Å; K577-D631 IonicContact NZ-OD1 3.44Å; K577-D631 PolarHBondContact NZ-OD1 3.03Å; Q627-D631 PolarHBondContact O-N 2.92Å; D628-D631 PolarHBondContact O-N 2.84Å; D631-A634 PolarHBondContact O-N 2.89Å; D631-A635 PolarHBondContact O-N 2.96Å; D631-A635 VanDerWaalsContact O-N 3.17Å
632	C	83.2	Confident	81.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-43.7	170.1	-174.6	0	0	0	0	111.9	T584 D628 A634 A635 F636 L663	T584-C632 PolarHBondContact OG1-SG 3.46Å; T584-C632 VanDerWaalsContact OG1-SG 3.38Å; D628-C632 WeakPolarHBondContact O-CB 3.33Å; D628-C632 PolarHBondContact O-N 3.5Å; C632-A634 VanDerWaalsContact C-N 3.32Å; C632-A634 PolarHBondContact O-N 3.09Å; C632-A635 PolarHBondContact O-N 2.95Å; C632-F636 WeakPolarHBondContact O-CB 3.17Å; C632-F636 PolarHBondContact O-N 2.78Å; C632-L663 HydrophobicContact CB-CD2 4.29Å
633	L	83.6	Confident	81.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-33	177	-78.3	168.2	0	0	0	112.5	H629 L630 E637 L654 L663 I668 W671	H629-L633 WeakPolarHBondContact O-CB 3.35Å; H629-L633 WeakPolarHBondContact O-CG 3.19Å; H629-L633 PolarHBondContact O-N 3.27Å; L630-L633 PolarHBondContact O-N 2.84Å; L633-E637 WeakPolarHBondContact O-CB 3.31Å; L633-E637 PolarHBondContact O-N 2.86Å; L633-L654 HydrophobicContact CD2-CD1 3.93Å; L633-L663 HydrophobicContact CD2-CD1 3.67Å; L633-L663 HydrophobicContact CG-CD1 4.09Å; L633-L663 HydrophobicContact CG-CD2 4.19Å; L633-I668 HydrophobicContact CD1-CG1 4.4Å; L633-W671 HydrophobicContact CB-CB 4.41Å; L633-W671 HydrophobicContact CB-CD2 4.4Å; L633-W671 HydrophobicContact CB-CG 4.01Å; L633-W671 HydrophobicContact CD1-CB 3.71Å; L633-W671 HydrophobicContact CD1-CG 4.09Å; L633-W671 HydrophobicContact CD2-CD2 4.39Å; L633-W671 HydrophobicContact CD2-CE3 4.41Å; L633-W671 HydrophobicContact CG-CG 4.49Å
634	A	82.7	Confident	80.7	Confident	40 Å²	40	52.1 Å²	52.1	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-66.1	-45.3	174.8	0	0	0	0	0	112	L630 D631 C632 F636 E637 E638	L630-A634 WeakPolarHBondContact O-CB 3.36Å; L630-A634 PolarHBondContact O-N 3.28Å; D631-A634 PolarHBondContact O-N 2.89Å; C632-A634 VanDerWaalsContact C-N 3.32Å; C632-A634 PolarHBondContact O-N 3.09Å; A634-F636 VanDerWaalsContact C-N 3.33Å; A634-E637 PolarHBondContact O-N 2.73Å; A634-E638 PolarHBondContact O-N 3.08Å
635	A	81.6	Confident	80.2	Confident	5 Å²	5	49.6 Å²	49.6	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-36.9	175.7	0	0	0	0	0	112.4	Q581 T584 D631 C632 E638 H639	Q581-A635 HydrophobicContact CB-CB 3.91Å; Q581-A635 HydrophobicContact CG-CB 4.06Å; T584-A635 HydrophobicContact CG2-CB 4.27Å; D631-A635 PolarHBondContact O-N 2.96Å; D631-A635 VanDerWaalsContact O-N 3.17Å; C632-A635 PolarHBondContact O-N 2.95Å; A635-E638 PolarHBondContact O-N 3.11Å; A635-H639 PolarHBondContact O-N 3.01Å
636	F	84.2	Confident	79.7	Confident	1 Å²	1	41 Å²	41	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-46.4	171.6	-178.5	-87.9	0	0	0	111.3	T584 L588 C632 A634 E638 H639 F640 M650 V653 L654 M657	T584-F636 HydrophobicContact CG2-CB 4.44Å; L588-F636 HydrophobicContact CD1-CD2 3.93Å; L588-F636 HydrophobicContact CD2-CD2 4.44Å; L588-F636 HydrophobicContact CD2-CE2 4.49Å; C632-F636 WeakPolarHBondContact O-CB 3.17Å; C632-F636 PolarHBondContact O-N 2.78Å; A634-F636 VanDerWaalsContact C-N 3.33Å; F636-E638 VanDerWaalsContact C-N 3.35Å; F636-E638 PolarHBondContact O-N 3Å; F636-H639 PolarHBondContact O-N 3.07Å; F636-F640 AromaticContact CD1-CD2 3.96Å; F636-F640 HydrophobicContact CD1-CD2 3.96Å; F636-F640 HydrophobicContact CD1-CE2 4.33Å; F636-F640 HydrophobicContact CD2-CD2 4.13Å; F636-F640 AromaticContact CD2-CE2 3.78Å; F636-F640 HydrophobicContact CD2-CE2 3.78Å; F636-F640 AromaticContact CE1-CD2 3.71Å; F636-F640 HydrophobicContact CE1-CD2 3.71Å; F636-F640 AromaticContact CE1-CE2 3.89Å; F636-F640 HydrophobicContact CE1-CE2 3.89Å; F636-F640 AromaticContact CE2-CD2 3.9Å; F636-F640 HydrophobicContact CE2-CD2 3.9Å; F636-F640 AromaticContact CE2-CE2 3.27Å; F636-F640 HydrophobicContact CE2-CE2 3.27Å; F636-F640 HydrophobicContact CE2-CZ 4.21Å; F636-F640 HydrophobicContact CG-CD2 4.16Å; F636-F640 HydrophobicContact CG-CE2 4.28Å; F636-F640 AromaticContact CZ-CD2 3.67Å; F636-F640 HydrophobicContact CZ-CD2 3.67Å; F636-F640 AromaticContact CZ-CE2 3.33Å; F636-F640 HydrophobicContact CZ-CE2 3.33Å; F636-F640 HydrophobicContact CZ-CZ 4.16Å; F636-F640 VanDerWaalsContact O-CD2 3.31Å; F636-F640 WeakPolarHBondContact O-CD2 3.3Å; F636-F640 PolarHBondContact O-N 2.83Å; F636-M650 HydrophobicContact CE1-CG 3.39Å; F636-M650 HydrophobicContact CE1-SD 4.04Å; F636-M650 HydrophobicContact CZ-CG 3.51Å; F636-V653 HydrophobicContact CE2-CB 4.18Å; F636-V653 HydrophobicContact CE2-CG1 3.79Å; F636-V653 HydrophobicContact CZ-CB 4.46Å; F636-L654 HydrophobicContact CZ-CB 4.21Å; F636-M657 HydrophobicContact CD2-SD 4.16Å; F636-M657 HydrophobicContact CE2-SD 4.27Å
637	E	82.3	Confident	79.4	Confident	18 Å²	18	41.3 Å²	41.3	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-44.5	176.4	-173.4	171.9	177.7	0	0	111.5	L633 A634 F640 L641 W671 S681 L684 R685	L633-E637 WeakPolarHBondContact O-CB 3.31Å; L633-E637 PolarHBondContact O-N 2.86Å; A634-E637 PolarHBondContact O-N 2.73Å; E637-F640 PolarHBondContact O-N 2.94Å; E637-L641 HydrophobicContact CG-CD1 3.97Å; E637-L641 HydrophobicContact CG-CG 4.36Å; E637-L641 WeakPolarHBondContact O-CB 3.28Å; E637-L641 WeakPolarHBondContact O-CG 3.38Å; E637-L641 PolarHBondContact O-N 3Å; E637-W671 HydrophobicContact CB-CZ2 4.03Å; E637-W671 HydrophobicContact CG-CZ2 4.18Å; E637-W671 PolarHBondContact OE2-NE1 2.79Å; E637-S681 WeakPolarHBondContact OE1-CB 3.42Å; E637-S681 PolarHBondContact OE1-OG 2.97Å; E637-L684 HydrophobicContact CG-CD2 4.01Å; E637-R685 IonicContact OE1-NE 3.91Å; E637-R685 IonicContact OE1-NH2 3.61Å; E637-R685 IonicContact OE2-CZ 3.21Å; E637-R685 IonicContact OE2-NH2 3.89Å; E637-R685 PolarHBondContact OE2-NH2 3.49Å
638	E	82	Confident	79.1	Confident	113 Å²	113	40.4 Å²	40.4	53%	0.528	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-48.5	178.5	-171.2	166.3	-161	0	0	112.4	A634 A635 F636 F640 L641 E642	A634-E638 PolarHBondContact O-N 3.08Å; A635-E638 PolarHBondContact O-N 3.11Å; F636-E638 VanDerWaalsContact C-N 3.35Å; F636-E638 PolarHBondContact O-N 3Å; E638-F640 PolarHBondContact O-N 3.11Å; E638-L641 WeakPolarHBondContact O-CB 3.43Å; E638-L641 PolarHBondContact O-N 2.77Å; E638-L641 VanDerWaalsContact O-N 3.15Å; E638-E642 PolarHBondContact O-N 3.05Å; E638-E642 VanDerWaalsContact O-N 3.14Å
639	H	80.4	Confident	78.8	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-42.2	179.1	-176.2	81.3	0	0	0	113.1	L588 F592 A635 F636 L641 E642 Q643	L588-H639 HydrophobicContact CD1-CB 3.92Å; F592-H639 AromaticContact CE2-NE2 3.77Å; A635-H639 PolarHBondContact O-N 3.01Å; F636-H639 PolarHBondContact O-N 3.07Å; H639-L641 VanDerWaalsContact C-N 3.31Å; H639-L641 PolarHBondContact O-N 2.96Å; H639-E642 PolarHBondContact O-N 2.95Å; H639-Q643 PolarHBondContact O-N 3.47Å
640	F	79.3	Confident	78.7	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-76.7	-17.2	178.1	-79	-76.8	0	0	0	113.5	L588 Y604 F636 E637 E638 H646 W647 M650	L588-F640 HydrophobicContact CD1-CE2 4.33Å; L588-F640 HydrophobicContact CD2-CE2 4.27Å; Y604-F640 HydrophobicContact CE1-CZ 4.42Å; F636-F640 AromaticContact CD1-CD2 3.96Å; F636-F640 HydrophobicContact CD1-CD2 3.96Å; F636-F640 HydrophobicContact CD1-CE2 4.33Å; F636-F640 HydrophobicContact CD2-CD2 4.13Å; F636-F640 AromaticContact CD2-CE2 3.78Å; F636-F640 HydrophobicContact CD2-CE2 3.78Å; F636-F640 AromaticContact CE1-CD2 3.71Å; F636-F640 HydrophobicContact CE1-CD2 3.71Å; F636-F640 AromaticContact CE1-CE2 3.89Å; F636-F640 HydrophobicContact CE1-CE2 3.89Å; F636-F640 AromaticContact CE2-CD2 3.9Å; F636-F640 HydrophobicContact CE2-CD2 3.9Å; F636-F640 AromaticContact CE2-CE2 3.27Å; F636-F640 HydrophobicContact CE2-CE2 3.27Å; F636-F640 HydrophobicContact CE2-CZ 4.21Å; F636-F640 HydrophobicContact CG-CD2 4.16Å; F636-F640 HydrophobicContact CG-CE2 4.28Å; F636-F640 AromaticContact CZ-CD2 3.67Å; F636-F640 HydrophobicContact CZ-CD2 3.67Å; F636-F640 AromaticContact CZ-CE2 3.33Å; F636-F640 HydrophobicContact CZ-CE2 3.33Å; F636-F640 HydrophobicContact CZ-CZ 4.16Å; F636-F640 VanDerWaalsContact O-CD2 3.31Å; F636-F640 WeakPolarHBondContact O-CD2 3.3Å; F636-F640 PolarHBondContact O-N 2.83Å; E637-F640 PolarHBondContact O-N 2.94Å; E638-F640 PolarHBondContact O-N 3.11Å; F640-H646 HydrophobicContact CE1-CB 4.45Å; F640-W647 PolarHBondContact O-NE1 2.87Å; F640-M650 HydrophobicContact CB-SD 4.1Å; F640-M650 HydrophobicContact CD1-CB 3.81Å; F640-M650 HydrophobicContact CD1-CG 4.07Å; F640-M650 HydrophobicContact CD2-CB 4.45Å; F640-M650 HydrophobicContact CD2-CG 3.91Å; F640-M650 HydrophobicContact CD2-SD 4.46Å; F640-M650 HydrophobicContact CE1-CB 3.76Å; F640-M650 HydrophobicContact CE1-CG 4.26Å; F640-M650 HydrophobicContact CE2-CB 4.46Å; F640-M650 HydrophobicContact CE2-CG 4.16Å; F640-M650 HydrophobicContact CG-CB 4.17Å; F640-M650 HydrophobicContact CG-CG 3.89Å; F640-M650 HydrophobicContact CG-SD 4.12Å; F640-M650 HydrophobicContact CZ-CB 4.12Å; F640-M650 HydrophobicContact CZ-CG 4.31Å
641	L	80.2	Confident	78.6	Confident	46 Å²	46	39.3 Å²	39.3	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-73.3	-35.1	168.3	-74.1	169.5	0	0	0	111.6	E637 E638 H639 A680 L684	E637-L641 HydrophobicContact CG-CD1 3.97Å; E637-L641 HydrophobicContact CG-CG 4.36Å; E637-L641 WeakPolarHBondContact O-CB 3.28Å; E637-L641 WeakPolarHBondContact O-CG 3.38Å; E637-L641 PolarHBondContact O-N 3Å; E638-L641 WeakPolarHBondContact O-CB 3.43Å; E638-L641 PolarHBondContact O-N 2.77Å; E638-L641 VanDerWaalsContact O-N 3.15Å; H639-L641 VanDerWaalsContact C-N 3.31Å; H639-L641 PolarHBondContact O-N 2.96Å; L641-A680 HydrophobicContact CD2-CB 3.73Å; L641-L684 HydrophobicContact CD2-CD2 4.46Å
642	E	77.6	Confident	78.6	Confident	128 Å²	128	44.1 Å²	44.1	60%	0.598	23%	0.23	S	C	*	.	H	α-helix	trans	-70.4	-32.4	175.1	-67.2	-178.2	166.6	0	0	112.6	E638 H639	E638-E642 PolarHBondContact O-N 3.05Å; E638-E642 VanDerWaalsContact O-N 3.14Å; H639-E642 PolarHBondContact O-N 2.95Å
643	Q	74.6	Confident	78.5	Confident	72 Å²	72	44.2 Å²	44.2	34%	0.336	23%	0.23	S	C	.	.			trans	-111.1	76.1	-177.9	-63.6	-66	-17.6	0	0	112.8	F592 H639 S645 H646	F592-Q643 HydrophobicContact CZ-CG 4.48Å; H639-Q643 PolarHBondContact O-N 3.47Å; Q643-S645 PolarHBondContact O-N 2.93Å; Q643-S645 VanDerWaalsContact O-N 3.13Å; Q643-H646 PolarHBondContact O-N 2.98Å
644	E	71.3	Confident	78.4	Confident	129 Å²	129	44.2 Å²	44.2	60%	0.603	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-59.7	-24.9	-177.8	-65.5	-167.9	160.9	0	0	114.4	H646 W647	E644-H646 VanDerWaalsContact C-N 3.35Å; E644-H646 PolarHBondContact O-N 2.89Å; E644-W647 HydrophobicContact CB-CZ2 4.33Å; E644-W647 HydrophobicContact CG-CZ2 4.03Å
645	S	71.9	Confident	78.4	Confident	79 Å²	79	45.7 Å²	45.7	55%	0.552	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-77	-16.8	-176.8	54.2	0	0	0	0	114	Q643	Q643-S645 PolarHBondContact O-N 2.93Å; Q643-S645 VanDerWaalsContact O-N 3.13Å
646	H	72.6	Confident	78.4	Confident	7 Å²	7	46 Å²	46	3%	0.032	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-105.3	9.9	-174.8	-59.4	82.5	0	0	0	114.5	F592 L599 F640 Q643 E644 P648 A649 M650	F592-H646 AromaticContact CE1-CE1 3.57Å; F592-H646 AromaticContact CE1-NE2 3.63Å; F592-H646 AromaticContact CZ-CE1 3.79Å; F592-H646 AromaticContact CZ-ND1 3.91Å; F592-H646 AromaticContact CZ-NE2 3.9Å; L599-H646 PolarHBondContact O-NE2 3.02Å; F640-H646 HydrophobicContact CE1-CB 4.45Å; Q643-H646 PolarHBondContact O-N 2.98Å; E644-H646 VanDerWaalsContact C-N 3.35Å; E644-H646 PolarHBondContact O-N 2.89Å; H646-P648 VanDerWaalsContact C-N 3.28Å; H646-P648 VanDerWaalsContact O-N 3.11Å; H646-A649 VanDerWaalsContact O-CB 3.31Å; H646-A649 WeakPolarHBondContact O-CB 3.23Å; H646-A649 PolarHBondContact O-N 3.35Å; H646-M650 PolarHBondContact O-N 2.99Å
647	W	74.1	Confident	78.3	Confident	50 Å²	50	46 Å²	46	19%	0.189	23%	0.233	C	C	.	.	H	α-helix	trans	-51.2	-32.9	176.6	-68.3	-0.6	0	0	0	115.8	F640 E644 A649 M650 R683 L684	F640-W647 PolarHBondContact O-NE1 2.87Å; E644-W647 HydrophobicContact CB-CZ2 4.33Å; E644-W647 HydrophobicContact CG-CZ2 4.03Å; W647-A649 VanDerWaalsContact C-N 3.28Å; W647-A649 PolarHBondContact O-N 2.98Å; W647-M650 VanDerWaalsContact O-CB 3.28Å; W647-M650 WeakPolarHBondContact O-CB 3.2Å; W647-M650 PolarHBondContact O-N 2.73Å; W647-R683 HydrophobicContact CH2-CB 4.17Å; W647-L684 HydrophobicContact CD2-CD1 3.79Å; W647-L684 HydrophobicContact CG-CD1 3.8Å; W647-L684 HydrophobicContact CZ2-CD1 4.2Å
648	P	73.9	Confident	78.4	Confident	88 Å²	88	48.1 Å²	48.1	57%	0.571	24%	0.24	S	C	*	.	H	α-helix	trans	-67.3	-25.2	173.8	-21.9	34.5	0	0	0	114.3	H646	H646-P648 VanDerWaalsContact C-N 3.28Å; H646-P648 VanDerWaalsContact O-N 3.11Å
649	A	76.3	Confident	78.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-76.7	-32.4	176	0	0	0	0	0	111.9	P601 Y604 V605 H646 W647 V651 K652 V653	P601-A649 HydrophobicContact CB-CB 4.4Å; Y604-A649 HydrophobicContact CD1-CB 3.91Å; Y604-A649 HydrophobicContact CE1-CB 4.48Å; V605-A649 HydrophobicContact CG2-CB 3.5Å; H646-A649 VanDerWaalsContact O-CB 3.31Å; H646-A649 WeakPolarHBondContact O-CB 3.23Å; H646-A649 PolarHBondContact O-N 3.35Å; W647-A649 VanDerWaalsContact C-N 3.28Å; W647-A649 PolarHBondContact O-N 2.98Å; A649-V651 VanDerWaalsContact C-N 3.29Å; A649-V651 PolarHBondContact O-N 2.9Å; A649-K652 PolarHBondContact O-N 2.92Å; A649-V653 WeakPolarHBondContact O-CG2 3.29Å; A649-V653 PolarHBondContact O-N 3.42Å; A649-V653 VanDerWaalsContact O-N 3.08Å
650	M	78.9	Confident	78.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-48.3	-47	-178.9	-172.1	-175.8	63.7	0	0	113.1	F636 F640 H646 W647 K652 V653 L654 L684 L690	F636-M650 HydrophobicContact CE1-CG 3.39Å; F636-M650 HydrophobicContact CE1-SD 4.04Å; F636-M650 HydrophobicContact CZ-CG 3.51Å; F640-M650 HydrophobicContact CB-SD 4.1Å; F640-M650 HydrophobicContact CD1-CB 3.81Å; F640-M650 HydrophobicContact CD1-CG 4.07Å; F640-M650 HydrophobicContact CD2-CB 4.45Å; F640-M650 HydrophobicContact CD2-CG 3.91Å; F640-M650 HydrophobicContact CD2-SD 4.46Å; F640-M650 HydrophobicContact CE1-CB 3.76Å; F640-M650 HydrophobicContact CE1-CG 4.26Å; F640-M650 HydrophobicContact CE2-CB 4.46Å; F640-M650 HydrophobicContact CE2-CG 4.16Å; F640-M650 HydrophobicContact CG-CB 4.17Å; F640-M650 HydrophobicContact CG-CG 3.89Å; F640-M650 HydrophobicContact CG-SD 4.12Å; F640-M650 HydrophobicContact CZ-CB 4.12Å; F640-M650 HydrophobicContact CZ-CG 4.31Å; H646-M650 PolarHBondContact O-N 2.99Å; W647-M650 VanDerWaalsContact O-CB 3.28Å; W647-M650 WeakPolarHBondContact O-CB 3.2Å; W647-M650 PolarHBondContact O-N 2.73Å; M650-K652 VanDerWaalsContact C-N 3.31Å; M650-K652 PolarHBondContact O-N 2.87Å; M650-V653 PolarHBondContact O-N 3.47Å; M650-L654 WeakPolarHBondContact O-CB 3.24Å; M650-L654 PolarHBondContact O-N 3.35Å; M650-L684 HydrophobicContact CE-CD1 3.91Å; M650-L684 HydrophobicContact CE-CG 4.04Å; M650-L684 HydrophobicContact SD-CD1 3.69Å; M650-L684 HydrophobicContact SD-CD2 3.96Å; M650-L684 HydrophobicContact SD-CG 3.93Å; M650-L690 HydrophobicContact CE-CB 4.34Å; M650-L690 HydrophobicContact CE-CD1 4.24Å; M650-L690 HydrophobicContact CE-CD2 4.1Å; M650-L690 HydrophobicContact CE-CG 4.47Å
651	V	79.2	Confident	78.8	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-38.6	-178.4	-178.4	0	0	0	0	111.6	A649 M655 L690 F693	A649-V651 VanDerWaalsContact C-N 3.29Å; A649-V651 PolarHBondContact O-N 2.9Å; V651-M655 VanDerWaalsContact O-CB 3.3Å; V651-M655 WeakPolarHBondContact O-CB 3.26Å; V651-M655 PolarHBondContact O-N 3.09Å; V651-L690 HydrophobicContact CG2-CB 4.41Å; V651-F693 HydrophobicContact CG1-CB 3.88Å; V651-F693 HydrophobicContact CG1-CG 4.2Å
652	K	80.2	Confident	78.8	Confident	115 Å²	115	55 Å²	55	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-71.6	-36.8	178.5	-67.1	-175.5	177.5	-178.1	0	112.1	V605 A649 M650 S656	V605-K652 HydrophobicContact CG1-CB 4.24Å; V605-K652 HydrophobicContact CG1-CD 4.06Å; V605-K652 HydrophobicContact CG2-CB 4.37Å; V605-K652 HydrophobicContact CG2-CD 4.33Å; A649-K652 PolarHBondContact O-N 2.92Å; M650-K652 VanDerWaalsContact C-N 3.31Å; M650-K652 PolarHBondContact O-N 2.87Å; K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 3.13Å; K652-S656 PolarHBondContact O-OG 2.74Å
653	V	81.8	Confident	79.1	Confident	1 Å²	1	49 Å²	49	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-45.5	176.2	-177.2	0	0	0	0	110.2	L588 Y604 L608 F636 A649 M650 M655 S656 M657	L588-V653 HydrophobicContact CD2-CG1 4.2Å; Y604-V653 HydrophobicContact CE1-CG2 4.42Å; L608-V653 HydrophobicContact CD2-CB 4.43Å; L608-V653 HydrophobicContact CD2-CG1 3.85Å; L608-V653 HydrophobicContact CD2-CG2 3.62Å; F636-V653 HydrophobicContact CE2-CB 4.18Å; F636-V653 HydrophobicContact CE2-CG1 3.79Å; F636-V653 HydrophobicContact CZ-CB 4.46Å; A649-V653 WeakPolarHBondContact O-CG2 3.29Å; A649-V653 PolarHBondContact O-N 3.42Å; A649-V653 VanDerWaalsContact O-N 3.08Å; M650-V653 PolarHBondContact O-N 3.47Å; V653-M655 PolarHBondContact O-N 2.96Å; V653-S656 CarbonylContact O-C 3.6Å; V653-S656 PolarHBondContact O-N 2.83Å; V653-S656 VanDerWaalsContact O-N 3.08Å; V653-M657 HydrophobicContact CG1-SD 4.48Å; V653-M657 WeakPolarHBondContact O-CG 3.22Å; V653-M657 PolarHBondContact O-N 2.85Å
654	L	82.1	Confident	79.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-43.8	177.5	-171.3	65.6	0	0	0	111.8	L633 F636 M650 S656 M657 Y658 L663 I668 L690 F693	L633-L654 HydrophobicContact CD2-CD1 3.93Å; F636-L654 HydrophobicContact CZ-CB 4.21Å; M650-L654 WeakPolarHBondContact O-CB 3.24Å; M650-L654 PolarHBondContact O-N 3.35Å; L654-S656 VanDerWaalsContact C-N 3.26Å; L654-S656 PolarHBondContact O-N 3.44Å; L654-M657 PolarHBondContact O-N 3.34Å; L654-Y658 PolarHBondContact O-N 3.17Å; L654-L663 HydrophobicContact CD1-CD1 4.07Å; L654-I668 HydrophobicContact CD2-CG2 4.4Å; L654-L690 HydrophobicContact CD2-CD1 3.81Å; L654-F693 HydrophobicContact CB-CE1 4.5Å; L654-F693 HydrophobicContact CD2-CD1 3.95Å; L654-F693 HydrophobicContact CD2-CE1 3.64Å; L654-F693 HydrophobicContact CG-CE1 3.85Å
655	M	82.1	Confident	80	Confident	71 Å²	71	46.2 Å²	46.2	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-37.6	173.2	-171.1	176.8	86.8	0	0	111.9	V651 V653 Y658 E659 F693	V651-M655 VanDerWaalsContact O-CB 3.3Å; V651-M655 WeakPolarHBondContact O-CB 3.26Å; V651-M655 PolarHBondContact O-N 3.09Å; V653-M655 PolarHBondContact O-N 2.96Å; M655-Y658 WeakPolarHBondContact O-CB 3.49Å; M655-Y658 PolarHBondContact O-N 2.98Å; M655-E659 WeakPolarHBondContact O-CG 3.27Å; M655-E659 PolarHBondContact O-N 2.8Å; M655-F693 HydrophobicContact CB-CD2 4.47Å; M655-F693 HydrophobicContact CB-CE2 3.8Å; M655-F693 HydrophobicContact CB-CZ 4.22Å; M655-F693 HydrophobicContact CG-CE2 3.88Å
656	S	81.8	Confident	80.4	Confident	11 Å²	11	47.3 Å²	47.3	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-75.5	-33.9	178.9	-55.7	0	0	0	0	112.9	L609 K652 V653 L654 Y658 E659 L660	L609-S656 VanDerWaalsContact CD2-CB 3.48Å; L609-S656 WeakPolarHBondContact CD2-OG 3.09Å; K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 3.13Å; K652-S656 PolarHBondContact O-OG 2.74Å; V653-S656 CarbonylContact O-C 3.6Å; V653-S656 PolarHBondContact O-N 2.83Å; V653-S656 VanDerWaalsContact O-N 3.08Å; L654-S656 VanDerWaalsContact C-N 3.26Å; L654-S656 PolarHBondContact O-N 3.44Å; S656-Y658 VanDerWaalsContact C-N 3.27Å; S656-E659 PolarHBondContact O-N 2.82Å; S656-L660 WeakPolarHBondContact O-CB 3.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.46Å; S656-L660 WeakPolarHBondContact O-CG 3.13Å; S656-L660 PolarHBondContact O-N 3.19Å
657	M	82.1	Confident	80.9	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-32.9	171.5	-69.6	-177	105.7	0	0	111.6	L612 F636 V653 L654 I662 L663	L612-M657 HydrophobicContact CD1-CE 4.44Å; L612-M657 HydrophobicContact CD1-CG 4.26Å; L612-M657 HydrophobicContact CD2-CG 3.73Å; F636-M657 HydrophobicContact CD2-SD 4.16Å; F636-M657 HydrophobicContact CE2-SD 4.27Å; V653-M657 HydrophobicContact CG1-SD 4.48Å; V653-M657 WeakPolarHBondContact O-CG 3.22Å; V653-M657 PolarHBondContact O-N 2.85Å; L654-M657 PolarHBondContact O-N 3.34Å; M657-I662 HydrophobicContact CB-CB 4.45Å; M657-I662 HydrophobicContact CE-CG2 4.21Å; M657-I662 WeakPolarHBondContact O-CB 3.38Å; M657-I662 PolarHBondContact O-N 2.9Å; M657-L663 HydrophobicContact CB-CD1 3.93Å; M657-L663 HydrophobicContact CB-CG 4.31Å; M657-L663 PolarHBondContact O-N 2.99Å; M657-L663 HydrophobicContact SD-CD1 4.12Å
658	Y	84.3	Confident	81.2	Confident	62 Å²	62	44.9 Å²	44.9	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-51.8	170.9	176.3	-113.1	0	0	0	112.2	L654 M655 S656 L660 E661 E665 I668 W696 L697	L654-Y658 PolarHBondContact O-N 3.17Å; M655-Y658 WeakPolarHBondContact O-CB 3.49Å; M655-Y658 PolarHBondContact O-N 2.98Å; S656-Y658 VanDerWaalsContact C-N 3.27Å; Y658-L660 PolarHBondContact O-N 3.46Å; Y658-E661 PolarHBondContact O-N 3.44Å; Y658-E665 HydrophobicContact CE2-CB 3.97Å; Y658-I668 HydrophobicContact CD2-CD1 4.34Å; Y658-W696 HydrophobicContact CD1-CZ3 4.37Å; Y658-W696 HydrophobicContact CE1-CH2 4.07Å; Y658-W696 HydrophobicContact CE1-CZ3 4.1Å; Y658-L697 HydrophobicContact CD1-CD2 4.35Å; Y658-L697 HydrophobicContact CE1-CD2 4.02Å; Y658-L697 HydrophobicContact CE2-CD2 4.41Å
659	E	84.3	Confident	81.4	Confident	125 Å²	125	42 Å²	42	58%	0.584	20%	0.198	S	C	*	.	H	α-helix	trans	-58.2	-31	178.1	-76.4	176.7	-170.8	0	0	113.5	M655 S656 E661	M655-E659 WeakPolarHBondContact O-CG 3.27Å; M655-E659 PolarHBondContact O-N 2.8Å; S656-E659 PolarHBondContact O-N 2.82Å; E659-E661 VanDerWaalsContact C-N 3.27Å
660	L	81.7	Confident	81.6	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.209	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.3	177.7	-65.7	171.7	0	0	0	113.6	L612 K613 A616 K620 S656 Y658 I662	L612-L660 HydrophobicContact CB-CD1 4.25Å; L612-L660 HydrophobicContact CD2-CD1 3.79Å; L612-L660 HydrophobicContact CG-CD1 3.84Å; K613-L660 HydrophobicContact CG-CD1 4.06Å; K613-L660 HydrophobicContact CG-CD2 3.96Å; A616-L660 HydrophobicContact CB-CB 4.35Å; A616-L660 HydrophobicContact CB-CD1 4.4Å; K620-L660 WeakPolarHBondContact CE-O 3.3Å; K620-L660 PolarHBondContact NZ-O 2.94Å; S656-L660 WeakPolarHBondContact O-CB 3.46Å; S656-L660 WeakPolarHBondContact O-CD1 3.46Å; S656-L660 WeakPolarHBondContact O-CG 3.13Å; S656-L660 PolarHBondContact O-N 3.19Å; Y658-L660 PolarHBondContact O-N 3.46Å; L660-I662 HydrophobicContact CB-CD1 4.13Å; L660-I662 HydrophobicContact CB-CG1 4.09Å; L660-I662 HydrophobicContact CD1-CD1 4.44Å; L660-I662 PolarHBondContact O-N 3.15Å
661	E	83	Confident	81.7	Confident	145 Å²	145	48 Å²	48	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	37	-177	-49.3	166.6	162.5	0	0	112.2	K620 Y658 E659	K620-E661 IonicContact NZ-OE2 3.63Å; K620-E661 PolarHBondContact NZ-OE2 2.88Å; Y658-E661 PolarHBondContact O-N 3.44Å; E659-E661 VanDerWaalsContact C-N 3.27Å
662	I	81.9	Confident	81.5	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	22%	0.224	C	C	.	.	S	Bend	trans	-83	-36.5	171.9	-61.4	172	0	0	0	109.6	L612 A616 F619 V623 H629 M657 L660	L612-I662 HydrophobicContact CD1-CD1 4.27Å; L612-I662 HydrophobicContact CG-CD1 4.21Å; A616-I662 HydrophobicContact CB-CD1 4.27Å; F619-I662 HydrophobicContact CB-CD1 4.13Å; F619-I662 HydrophobicContact CB-CG1 4.11Å; F619-I662 HydrophobicContact CB-CG2 3.83Å; F619-I662 HydrophobicContact CD1-CG2 4.23Å; F619-I662 HydrophobicContact CD2-CD1 4.3Å; F619-I662 HydrophobicContact CG-CD1 4.28Å; F619-I662 HydrophobicContact CG-CG2 4.18Å; V623-I662 HydrophobicContact CG2-CG2 4.25Å; H629-I662 PolarHBondContact CE1-O 2.74Å; H629-I662 VanDerWaalsContact CE1-O 3.26Å; H629-I662 PolarHBondContact ND1-O 2.88Å; H629-I662 VanDerWaalsContact ND1-O 3.13Å; M657-I662 HydrophobicContact CB-CB 4.45Å; M657-I662 HydrophobicContact CE-CG2 4.21Å; M657-I662 WeakPolarHBondContact O-CB 3.38Å; M657-I662 PolarHBondContact O-N 2.9Å; L660-I662 HydrophobicContact CB-CD1 4.13Å; L660-I662 HydrophobicContact CB-CG1 4.09Å; L660-I662 HydrophobicContact CD1-CD1 4.44Å; L660-I662 PolarHBondContact O-N 3.15Å
663	L	83.5	Confident	81.2	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-121.8	133.1	-179.6	-63.7	173.8	0	0	0	110.3	H629 C632 L633 L654 M657 I668	H629-L663 HydrophobicContact CB-CD2 4.18Å; C632-L663 HydrophobicContact CB-CD2 4.29Å; L633-L663 HydrophobicContact CD2-CD1 3.67Å; L633-L663 HydrophobicContact CG-CD1 4.09Å; L633-L663 HydrophobicContact CG-CD2 4.19Å; L654-L663 HydrophobicContact CD1-CD1 4.07Å; M657-L663 HydrophobicContact CB-CD1 3.93Å; M657-L663 HydrophobicContact CB-CG 4.31Å; M657-L663 PolarHBondContact O-N 2.99Å; M657-L663 HydrophobicContact SD-CD1 4.12Å; L663-I668 HydrophobicContact CB-CD1 4.14Å; L663-I668 HydrophobicContact CB-CG1 4.28Å
664	E	84.4	Confident	80.5	Confident	102 Å²	102	54.2 Å²	54.2	48%	0.477	26%	0.259	S	S	.	.			trans	-80.2	147	174.5	-66.4	-179.9	165.3	0	0	111.5	M667 I668	E664-M667 HydrophobicContact CB-CG 4.15Å; E664-M667 PolarHBondContact O-N 3.36Å; E664-M667 VanDerWaalsContact O-N 3.16Å; E664-I668 PolarHBondContact O-N 3.05Å
665	E	80.8	Confident	79.3	Confident	39 Å²	39	56.4 Å²	56.4	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-50.6	180	178.9	164.8	-153.9	0	0	112.8	Y658 M667 I668 L669 L697	Y658-E665 HydrophobicContact CE2-CB 3.97Å; E665-M667 PolarHBondContact O-N 3.27Å; E665-M667 VanDerWaalsContact O-N 3.09Å; E665-I668 PolarHBondContact O-N 3.49Å; E665-I668 VanDerWaalsContact O-N 3.1Å; E665-L669 HydrophobicContact CG-CD1 4.33Å; E665-L669 PolarHBondContact O-N 2.75Å; E665-L669 VanDerWaalsContact O-N 3.1Å; E665-L697 HydrophobicContact CG-CD2 4.26Å; E665-L697 VanDerWaalsContact OE1-O 3.06Å
666	E	80.6	Confident	77.9	Confident	103 Å²	103	53.8 Å²	53.8	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-53.3	-35.4	177.6	-72.1	-169.2	-158.7	0	0	112.4	R670	E666-R670 WeakPolarHBondContact O-CB 3.49Å; E666-R670 VanDerWaalsContact O-CG 3.25Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.16Å; E666-R670 IonicContact OE2-CZ 3.92Å; E666-R670 IonicContact OE2-NH2 3.14Å; E666-R670 PolarHBondContact OE2-NH2 3Å; E666-R670 VanDerWaalsContact OE2-NH2 3.14Å
667	M	81.4	Confident	76.7	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-79.2	-33.8	-175.8	-58.5	-56.2	139.4	0	0	111.9	A626 H629 E664 E665 R670 W671	A626-M667 HydrophobicContact CB-CE 3.77Å; A626-M667 HydrophobicContact CB-SD 3.69Å; H629-M667 HydrophobicContact CB-CB 3.88Å; H629-M667 HydrophobicContact CB-CG 3.91Å; E664-M667 HydrophobicContact CB-CG 4.15Å; E664-M667 PolarHBondContact O-N 3.36Å; E664-M667 VanDerWaalsContact O-N 3.16Å; E665-M667 PolarHBondContact O-N 3.27Å; E665-M667 VanDerWaalsContact O-N 3.09Å; M667-R670 PolarHBondContact O-N 2.83Å; M667-W671 WeakPolarHBondContact O-CB 3.42Å; M667-W671 PolarHBondContact O-N 2.84Å
668	I	80.3	Confident	75.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-43.6	172.8	-63.3	169.5	0	0	0	109.8	L633 L654 Y658 L663 E664 E665 W671 F672 I694 L697	L633-I668 HydrophobicContact CD1-CG1 4.4Å; L654-I668 HydrophobicContact CD2-CG2 4.4Å; Y658-I668 HydrophobicContact CD2-CD1 4.34Å; L663-I668 HydrophobicContact CB-CD1 4.14Å; L663-I668 HydrophobicContact CB-CG1 4.28Å; E664-I668 PolarHBondContact O-N 3.05Å; E665-I668 PolarHBondContact O-N 3.49Å; E665-I668 VanDerWaalsContact O-N 3.1Å; I668-W671 PolarHBondContact O-N 3.16Å; I668-F672 WeakPolarHBondContact O-CB 3.36Å; I668-F672 PolarHBondContact O-N 2.85Å; I668-I694 HydrophobicContact CG2-CD1 3.89Å; I668-L697 HydrophobicContact CG2-CD1 3.98Å
669	L	79.9	Confident	74.2	Confident	26 Å²	26	65.5 Å²	65.5	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-39.5	176.1	-65.4	175.4	0	0	0	112.2	E665 F672 S673 I694 E698 E701	E665-L669 HydrophobicContact CG-CD1 4.33Å; E665-L669 PolarHBondContact O-N 2.75Å; E665-L669 VanDerWaalsContact O-N 3.1Å; L669-F672 PolarHBondContact O-N 3.48Å; L669-S673 WeakPolarHBondContact O-CB 3.46Å; L669-S673 PolarHBondContact O-N 3.36Å; L669-S673 PolarHBondContact O-OG 2.86Å; L669-I694 HydrophobicContact CD2-CG2 4.05Å; L669-E698 HydrophobicContact CD2-CG 3.86Å; L669-E701 VanDerWaalsContact CD1-OE2 3.27Å; L669-E701 WeakPolarHBondContact CD1-OE2 3.49Å
670	R	79.1	Confident	73	Confident	118 Å²	118	61.5 Å²	61.5	45%	0.445	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-42.7	173.1	-78.5	-179.2	-168.3	172.6	14.7	112.7	E666 M667 F672 S673 Q674	E666-R670 WeakPolarHBondContact O-CB 3.49Å; E666-R670 VanDerWaalsContact O-CG 3.25Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.16Å; E666-R670 IonicContact OE2-CZ 3.92Å; E666-R670 IonicContact OE2-NH2 3.14Å; E666-R670 PolarHBondContact OE2-NH2 3Å; E666-R670 VanDerWaalsContact OE2-NH2 3.14Å; M667-R670 PolarHBondContact O-N 2.83Å; R670-F672 VanDerWaalsContact C-N 3.34Å; R670-F672 PolarHBondContact O-N 3.36Å; R670-S673 WeakPolarHBondContact CA-OG 3.41Å; R670-S673 PolarHBondContact O-N 3.1Å; R670-S673 PolarHBondContact O-OG 3.48Å; R670-S673 VanDerWaalsContact O-OG 3.12Å; R670-Q674 WeakPolarHBondContact O-CB 3.32Å; R670-Q674 VanDerWaalsContact O-CG 3.24Å; R670-Q674 WeakPolarHBondContact O-CG 3.46Å; R670-Q674 PolarHBondContact O-N 2.86Å
671	W	81.2	Confident	72	Confident	9 Å²	9	59.7 Å²	59.7	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-42.1	175.5	166.7	74.5	0	0	0	111.6	L630 L633 E637 M667 I668 R685 L690	L630-W671 HydrophobicContact CD2-CB 4.15Å; L633-W671 HydrophobicContact CB-CB 4.41Å; L633-W671 HydrophobicContact CB-CD2 4.4Å; L633-W671 HydrophobicContact CB-CG 4.01Å; L633-W671 HydrophobicContact CD1-CB 3.71Å; L633-W671 HydrophobicContact CD1-CG 4.09Å; L633-W671 HydrophobicContact CD2-CD2 4.39Å; L633-W671 HydrophobicContact CD2-CE3 4.41Å; L633-W671 HydrophobicContact CG-CG 4.49Å; E637-W671 HydrophobicContact CB-CZ2 4.03Å; E637-W671 HydrophobicContact CG-CZ2 4.18Å; E637-W671 PolarHBondContact OE2-NE1 2.79Å; M667-W671 WeakPolarHBondContact O-CB 3.42Å; M667-W671 PolarHBondContact O-N 2.84Å; I668-W671 PolarHBondContact O-N 3.16Å; W671-R685 PolarHBondContact O-NH1 3.15Å; W671-L690 HydrophobicContact CH2-CD2 4.44Å
672	F	76.3	Confident	71.1	Confident	55 Å²	55	59.1 Å²	59.1	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-43.8	177.1	-170.2	-104.9	0	0	0	112.1	I668 L669 R670 R685 L690 I694	I668-F672 WeakPolarHBondContact O-CB 3.36Å; I668-F672 PolarHBondContact O-N 2.85Å; L669-F672 PolarHBondContact O-N 3.48Å; R670-F672 VanDerWaalsContact C-N 3.34Å; R670-F672 PolarHBondContact O-N 3.36Å; F672-R685 HydrophobicContact CE2-CB 4.12Å; F672-R685 HydrophobicContact CE2-CG 4.45Å; F672-R685 PolarHBondContact O-NH1 3.24Å; F672-R685 VanDerWaalsContact O-NH1 3.12Å; F672-L690 HydrophobicContact CD2-CD2 4.48Å; F672-L690 HydrophobicContact CE2-CD2 4.29Å; F672-I694 HydrophobicContact CB-CD1 4.27Å; F672-I694 HydrophobicContact CD1-CG1 4.45Å; F672-I694 HydrophobicContact CD1-CG2 3.98Å; F672-I694 HydrophobicContact CD2-CD1 4.33Å; F672-I694 HydrophobicContact CD2-CG1 4.02Å; F672-I694 HydrophobicContact CE1-CG2 4.11Å; F672-I694 HydrophobicContact CE2-CG1 4.2Å; F672-I694 HydrophobicContact CG-CD1 4.24Å; F672-I694 HydrophobicContact CG-CG1 4.16Å; F672-I694 HydrophobicContact CG-CG2 4.43Å; F672-I694 HydrophobicContact CZ-CG1 4.5Å
673	S	72.4	Confident	70.2	Confident	90 Å²	90	66.7 Å²	66.7	63%	0.629	34%	0.344	S	S	*	.	H	α-helix	trans	-77.1	-23.2	-177.6	61.2	0	0	0	0	115.3	L669 R670 G675	L669-S673 WeakPolarHBondContact O-CB 3.46Å; L669-S673 PolarHBondContact O-N 3.36Å; L669-S673 PolarHBondContact O-OG 2.86Å; R670-S673 WeakPolarHBondContact CA-OG 3.41Å; R670-S673 PolarHBondContact O-N 3.1Å; R670-S673 PolarHBondContact O-OG 3.48Å; R670-S673 VanDerWaalsContact O-OG 3.12Å; S673-G675 PolarHBondContact O-N 3.12Å
674	Q	67.6	Low	69.5	Low	128 Å²	128	66.6 Å²	66.6	60%	0.598	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.7	-178.9	-90.1	176.3	6	0	0	115.6	R670	R670-Q674 WeakPolarHBondContact O-CB 3.32Å; R670-Q674 VanDerWaalsContact O-CG 3.24Å; R670-Q674 WeakPolarHBondContact O-CG 3.46Å; R670-Q674 PolarHBondContact O-N 2.86Å
675	G	56.2	Low	68.7	Low	47 Å²	47	63 Å²	63	49%	0.485	33%	0.326	S	S	.	.			trans	77.1	128.2	172.4	0	0	0	0	0	113.6	S673 T677	S673-G675 PolarHBondContact O-N 3.12Å; G675-T677 PolarHBondContact O-N 3.26Å
676	A	53.3	Low	68	Low	16 Å²	16	68.2 Å²	68.2	13%	0.132	35%	0.348	C	S	.	.			trans	-69	128.1	-176.3	0	0	0	0	0	112.9	R682	A676-R682 HydrophobicContact CB-CB 4.39Å; A676-R682 HydrophobicContact CB-CG 3.46Å; A676-R682 VanDerWaalsContact CB-CG 3.46Å
677	T	56.1	Low	67.6	Low	136 Å²	136	65.4 Å²	65.4	83%	0.834	34%	0.336	S	S	*	.	S	Bend	trans	-75.5	-27.2	175.6	41.2	0	0	0	0	113	G675	G675-T677 PolarHBondContact O-N 3.26Å
678	T	59	Low	66.9	Low	75 Å²	75	72 Å²	72	46%	0.46	37%	0.367	S	S	.	.	S	Bend	trans	-122.2	150.9	-175.1	18.3	0	0	0	0	113.4	A680 S681 R682	T678-A680 VanDerWaalsContact C-N 3.26Å; T678-A680 PolarHBondContact O-N 2.72Å; T678-S681 WeakPolarHBondContact O-CB 3.33Å; T678-S681 PolarHBondContact O-N 3.22Å; T678-S681 PolarHBondContact OG1-OG 3.06Å; T678-R682 PolarHBondContact O-N 3.03Å; T678-R682 VanDerWaalsContact O-N 3.15Å
679	D	55.7	Low	66.4	Low	111 Å²	111	73.3 Å²	73.3	59%	0.594	38%	0.381	S	S	*	.	H	α-helix	trans	-68.6	-25.1	-176.3	-134.4	25.5	0	0	0	112.7	R683	D679-R683 PolarHBondContact O-N 3.36Å
680	A	59.3	Low	66.2	Low	40 Å²	40	72.1 Å²	72.1	33%	0.331	37%	0.374	S	S	.	.	H	α-helix	trans	-73.1	-43.3	171.8	0	0	0	0	0	112.4	L641 T678 R682 R683 L684	L641-A680 HydrophobicContact CD2-CB 3.73Å; T678-A680 VanDerWaalsContact C-N 3.26Å; T678-A680 PolarHBondContact O-N 2.72Å; A680-R682 PolarHBondContact O-N 3.41Å; A680-R683 WeakPolarHBondContact O-CA 3.42Å; A680-R683 WeakPolarHBondContact O-CB 3.2Å; A680-R683 PolarHBondContact O-N 3.41Å; A680-L684 PolarHBondContact O-N 2.96Å
681	S	61.3	Low	66.1	Low	2 Å²	2	70.9 Å²	70.9	1%	0.014	37%	0.374	C	S	.	.	H	α-helix	trans	-56.3	-36.4	170.8	-63.6	0	0	0	0	112.4	E637 T678 R683 L684 R685	E637-S681 WeakPolarHBondContact OE1-CB 3.42Å; E637-S681 PolarHBondContact OE1-OG 2.97Å; T678-S681 WeakPolarHBondContact O-CB 3.33Å; T678-S681 PolarHBondContact O-N 3.22Å; T678-S681 PolarHBondContact OG1-OG 3.06Å; S681-R683 VanDerWaalsContact C-N 3.32Å; S681-R683 PolarHBondContact O-N 2.85Å; S681-L684 PolarHBondContact O-N 2.78Å; S681-R685 WeakPolarHBondContact O-CB 3.36Å; S681-R685 VanDerWaalsContact O-CG 3.3Å; S681-R685 WeakPolarHBondContact O-CG 3.36Å; S681-R685 PolarHBondContact O-N 2.77Å
682	R	63.5	Low	65.9	Low	134 Å²	134	77.7 Å²	77.7	51%	0.506	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-29.2	173.5	-69.4	178.9	-175.3	-178.6	-0.6	113.3	A676 T678 A680 K686	A676-R682 HydrophobicContact CB-CB 4.39Å; A676-R682 HydrophobicContact CB-CG 3.46Å; A676-R682 VanDerWaalsContact CB-CG 3.46Å; T678-R682 PolarHBondContact O-N 3.03Å; T678-R682 VanDerWaalsContact O-N 3.15Å; A680-R682 PolarHBondContact O-N 3.41Å; R682-K686 WeakPolarHBondContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CD 3.48Å; R682-K686 WeakPolarHBondContact O-CG 3.21Å; R682-K686 PolarHBondContact O-N 2.81Å
683	R	63.2	Low	66	Low	161 Å²	161	75.6 Å²	75.6	61%	0.608	40%	0.395	S	S	*	.	H	α-helix	trans	-77.9	-41.6	175.3	-68.5	176.9	-175.4	-178	2.2	111	W647 D679 A680 S681 R685 K686 N687	W647-R683 HydrophobicContact CH2-CB 4.17Å; D679-R683 PolarHBondContact O-N 3.36Å; A680-R683 WeakPolarHBondContact O-CA 3.42Å; A680-R683 WeakPolarHBondContact O-CB 3.2Å; A680-R683 PolarHBondContact O-N 3.41Å; S681-R683 VanDerWaalsContact C-N 3.32Å; S681-R683 PolarHBondContact O-N 2.85Å; R683-R685 PolarHBondContact O-N 3.41Å; R683-K686 PolarHBondContact O-N 2.64Å; R683-K686 VanDerWaalsContact O-N 3.16Å; R683-N687 PolarHBondContact O-N 3.49Å
684	L	67.4	Low	66.3	Low	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-57.3	-48.2	174.4	-169.2	73.7	0	0	0	111.2	E637 L641 W647 M650 A680 S681 K686 N687	E637-L684 HydrophobicContact CG-CD2 4.01Å; L641-L684 HydrophobicContact CD2-CD2 4.46Å; W647-L684 HydrophobicContact CD2-CD1 3.79Å; W647-L684 HydrophobicContact CG-CD1 3.8Å; W647-L684 HydrophobicContact CZ2-CD1 4.2Å; M650-L684 HydrophobicContact CE-CD1 3.91Å; M650-L684 HydrophobicContact CE-CG 4.04Å; M650-L684 HydrophobicContact SD-CD1 3.69Å; M650-L684 HydrophobicContact SD-CD2 3.96Å; M650-L684 HydrophobicContact SD-CG 3.93Å; A680-L684 PolarHBondContact O-N 2.96Å; S681-L684 PolarHBondContact O-N 2.78Å; L684-K686 PolarHBondContact O-N 3.04Å; L684-N687 WeakPolarHBondContact O-CB 3.5Å; L684-N687 PolarHBondContact O-N 2.99Å; L684-N687 VanDerWaalsContact O-N 3.16Å
685	R	68	Low	66.9	Low	27 Å²	27	70.1 Å²	70.1	10%	0.102	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14	179.2	-64.9	178.7	-166.6	-150.6	-1.1	114.6	E637 W671 F672 S681 R683	E637-R685 IonicContact OE1-NE 3.91Å; E637-R685 IonicContact OE1-NH2 3.61Å; E637-R685 IonicContact OE2-CZ 3.21Å; E637-R685 IonicContact OE2-NH2 3.89Å; E637-R685 PolarHBondContact OE2-NH2 3.49Å; W671-R685 PolarHBondContact O-NH1 3.15Å; F672-R685 HydrophobicContact CE2-CB 4.12Å; F672-R685 HydrophobicContact CE2-CG 4.45Å; F672-R685 PolarHBondContact O-NH1 3.24Å; F672-R685 VanDerWaalsContact O-NH1 3.12Å; S681-R685 WeakPolarHBondContact O-CB 3.36Å; S681-R685 VanDerWaalsContact O-CG 3.3Å; S681-R685 WeakPolarHBondContact O-CG 3.36Å; S681-R685 PolarHBondContact O-N 2.77Å; R683-R685 PolarHBondContact O-N 3.41Å
686	K	66.1	Low	68.1	Low	148 Å²	148	73.9 Å²	73.9	64%	0.643	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	1	173.3	-78.6	176.3	-176.7	-178.4	0	113.5	R682 R683 L684 Q688	R682-K686 WeakPolarHBondContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CD 3.48Å; R682-K686 WeakPolarHBondContact O-CG 3.21Å; R682-K686 PolarHBondContact O-N 2.81Å; R683-K686 PolarHBondContact O-N 2.64Å; R683-K686 VanDerWaalsContact O-N 3.16Å; L684-K686 PolarHBondContact O-N 3.04Å; K686-Q688 PolarHBondContact O-N 2.93Å
687	N	73.4	Confident	69.2	Low	44 Å²	44	73.1 Å²	73.1	24%	0.235	35%	0.352	C	S	.	.			trans	-64	126.9	176.4	-171.8	-7.5	0	0	0	110.2	R683 L684 G689 L690 Q691	R683-N687 PolarHBondContact O-N 3.49Å; L684-N687 WeakPolarHBondContact O-CB 3.5Å; L684-N687 PolarHBondContact O-N 2.99Å; L684-N687 VanDerWaalsContact O-N 3.16Å; N687-G689 PolarHBondContact O-N 3.49Å; N687-G689 VanDerWaalsContact O-N 3.14Å; N687-G689 PolarHBondContact OD1-N 2.87Å; N687-L690 PolarHBondContact O-N 2.98Å; N687-L690 VanDerWaalsContact O-N 3.12Å; N687-Q691 PolarHBondContact O-N 3.02Å; N687-Q691 VanDerWaalsContact O-N 3.13Å
688	Q	66.9	Low	70.2	Confident	144 Å²	144	71 Å²	71	67%	0.673	33%	0.333	S	S	*	.	H	α-helix	trans	-58.3	-28.6	-178.2	-71.8	-176.3	0.9	0	0	113	K686 K692	K686-Q688 PolarHBondContact O-N 2.93Å; Q688-K692 VanDerWaalsContact O-CG 3.3Å; Q688-K692 WeakPolarHBondContact O-CG 3.24Å; Q688-K692 PolarHBondContact O-N 3.2Å
689	G	68.7	Low	71	Confident	29 Å²	29	72.6 Å²	72.6	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-69.4	-42.4	176.9	0	0	0	0	0	113.1	N687 F693	N687-G689 PolarHBondContact O-N 3.49Å; N687-G689 VanDerWaalsContact O-N 3.14Å; N687-G689 PolarHBondContact OD1-N 2.87Å; G689-F693 PolarHBondContact O-N 2.82Å
690	L	75.7	Confident	71.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-39.8	178.9	-172.6	69.6	0	0	0	110.9	M650 V651 L654 W671 F672 N687 K692 F693 I694	M650-L690 HydrophobicContact CE-CB 4.34Å; M650-L690 HydrophobicContact CE-CD1 4.24Å; M650-L690 HydrophobicContact CE-CD2 4.1Å; M650-L690 HydrophobicContact CE-CG 4.47Å; V651-L690 HydrophobicContact CG2-CB 4.41Å; L654-L690 HydrophobicContact CD2-CD1 3.81Å; W671-L690 HydrophobicContact CH2-CD2 4.44Å; F672-L690 HydrophobicContact CD2-CD2 4.48Å; F672-L690 HydrophobicContact CE2-CD2 4.29Å; N687-L690 PolarHBondContact O-N 2.98Å; N687-L690 VanDerWaalsContact O-N 3.12Å; L690-K692 VanDerWaalsContact C-N 3.32Å; L690-K692 PolarHBondContact O-N 2.78Å; L690-F693 WeakPolarHBondContact O-CB 3.39Å; L690-F693 PolarHBondContact O-N 2.96Å; L690-F693 VanDerWaalsContact O-N 3.13Å; L690-I694 HydrophobicContact CG-CG1 4.39Å; L690-I694 WeakPolarHBondContact O-CG1 3.28Å; L690-I694 PolarHBondContact O-N 2.99Å
691	Q	76.1	Confident	71.5	Confident	92 Å²	92	69.7 Å²	69.7	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.5	-70.7	-177.9	-21.9	0	0	112.8	N687 F693 H695	N687-Q691 PolarHBondContact O-N 3.02Å; N687-Q691 VanDerWaalsContact O-N 3.13Å; Q691-F693 VanDerWaalsContact C-N 3.33Å; Q691-H695 WeakPolarHBondContact O-CB 3.23Å; Q691-H695 PolarHBondContact O-N 3.17Å
692	K	77.5	Confident	71.2	Confident	152 Å²	152	76.4 Å²	76.4	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-66.8	-35.2	174.1	-74.9	177	-179.6	-176.5	0	112.6	Q688 L690 W696	Q688-K692 VanDerWaalsContact O-CG 3.3Å; Q688-K692 WeakPolarHBondContact O-CG 3.24Å; Q688-K692 PolarHBondContact O-N 3.2Å; L690-K692 VanDerWaalsContact C-N 3.32Å; L690-K692 PolarHBondContact O-N 2.78Å; K692-W696 WeakPolarHBondContact O-CB 3.27Å; K692-W696 PolarHBondContact O-N 3.35Å; K692-W696 VanDerWaalsContact O-N 3.1Å
693	F	78.8	Confident	70.6	Confident	12 Å²	12	73.3 Å²	73.3	5%	0.053	35%	0.346	C	S	.	.	H	α-helix	trans	-71.1	-43.1	177.1	177.6	-108.2	0	0	0	112	V651 L654 M655 G689 L690 Q691 W696 L697	V651-F693 HydrophobicContact CG1-CB 3.88Å; V651-F693 HydrophobicContact CG1-CG 4.2Å; L654-F693 HydrophobicContact CB-CE1 4.5Å; L654-F693 HydrophobicContact CD2-CD1 3.95Å; L654-F693 HydrophobicContact CD2-CE1 3.64Å; L654-F693 HydrophobicContact CG-CE1 3.85Å; M655-F693 HydrophobicContact CB-CD2 4.47Å; M655-F693 HydrophobicContact CB-CE2 3.8Å; M655-F693 HydrophobicContact CB-CZ 4.22Å; M655-F693 HydrophobicContact CG-CE2 3.88Å; G689-F693 PolarHBondContact O-N 2.82Å; L690-F693 WeakPolarHBondContact O-CB 3.39Å; L690-F693 PolarHBondContact O-N 2.96Å; L690-F693 VanDerWaalsContact O-N 3.13Å; Q691-F693 VanDerWaalsContact C-N 3.33Å; F693-W696 HydrophobicContact CD2-CE3 4.11Å; F693-W696 AromaticContact CE2-CE3 3.93Å; F693-W696 HydrophobicContact CE2-CE3 3.93Å; F693-W696 AromaticContact CE2-CZ3 3.95Å; F693-W696 HydrophobicContact CE2-CZ3 3.95Å; F693-W696 WeakPolarHBondContact O-CB 3.34Å; F693-W696 PolarHBondContact O-N 2.84Å; F693-L697 HydrophobicContact CD1-CD1 4.01Å; F693-L697 HydrophobicContact CE1-CD1 3.47Å; F693-L697 VanDerWaalsContact CE1-CD1 3.47Å; F693-L697 HydrophobicContact CE1-CG 4.32Å; F693-L697 HydrophobicContact CE2-CD1 4.46Å; F693-L697 HydrophobicContact CE2-CG 4.5Å; F693-L697 HydrophobicContact CZ-CD1 3.73Å; F693-L697 HydrophobicContact CZ-CD2 4.45Å; F693-L697 HydrophobicContact CZ-CG 4.19Å; F693-L697 PolarHBondContact O-N 3.13Å
694	I	79.6	Confident	70	Confident	3 Å²	3	69 Å²	69	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-43.2	175.3	-63.5	-63.9	0	0	0	111.1	I668 L669 F672 L690 W696 L697 E698	I668-I694 HydrophobicContact CG2-CD1 3.89Å; L669-I694 HydrophobicContact CD2-CG2 4.05Å; F672-I694 HydrophobicContact CB-CD1 4.27Å; F672-I694 HydrophobicContact CD1-CG1 4.45Å; F672-I694 HydrophobicContact CD1-CG2 3.98Å; F672-I694 HydrophobicContact CD2-CD1 4.33Å; F672-I694 HydrophobicContact CD2-CG1 4.02Å; F672-I694 HydrophobicContact CE1-CG2 4.11Å; F672-I694 HydrophobicContact CE2-CG1 4.2Å; F672-I694 HydrophobicContact CG-CD1 4.24Å; F672-I694 HydrophobicContact CG-CG1 4.16Å; F672-I694 HydrophobicContact CG-CG2 4.43Å; F672-I694 HydrophobicContact CZ-CG1 4.5Å; L690-I694 HydrophobicContact CG-CG1 4.39Å; L690-I694 WeakPolarHBondContact O-CG1 3.28Å; L690-I694 PolarHBondContact O-N 2.99Å; I694-W696 VanDerWaalsContact C-N 3.26Å; I694-W696 PolarHBondContact O-N 2.9Å; I694-L697 HydrophobicContact CD1-CD1 4.36Å; I694-L697 WeakPolarHBondContact O-CB 3.36Å; I694-L697 PolarHBondContact O-N 3.38Å; I694-L697 VanDerWaalsContact O-N 3.12Å; I694-E698 HydrophobicContact CG2-CG 4.38Å; I694-E698 WeakPolarHBondContact O-CG 3.43Å; I694-E698 PolarHBondContact O-N 2.88Å
695	H	78.4	Confident	69	Low	100 Å²	100	75.7 Å²	75.7	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-35.9	174.7	-171.3	-74.4	0	0	0	112.4	Q691 E699	Q691-H695 WeakPolarHBondContact O-CB 3.23Å; Q691-H695 PolarHBondContact O-N 3.17Å; H695-E699 IonicContact CE1-OE1 2.68Å; H695-E699 PolarHBondContact CE1-OE1 3.01Å; H695-E699 IonicContact CE1-OE2 4Å; H695-E699 VanDerWaalsContact ND1-CD 3.27Å; H695-E699 IonicContact ND1-OE1 3.68Å; H695-E699 IonicContact ND1-OE2 2.91Å; H695-E699 PolarHBondContact ND1-OE2 3.42Å; H695-E699 WeakPolarHBondContact O-CB 3.31Å; H695-E699 WeakPolarHBondContact O-CG 3.22Å; H695-E699 PolarHBondContact O-N 2.93Å
696	W	81.6	Confident	67.9	Low	126 Å²	126	82.4 Å²	82.4	48%	0.477	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-35.5	174.9	173.3	78.3	0	0	0	112.4	Y658 K692 F693 I694 A700	Y658-W696 HydrophobicContact CD1-CZ3 4.37Å; Y658-W696 HydrophobicContact CE1-CH2 4.07Å; Y658-W696 HydrophobicContact CE1-CZ3 4.1Å; K692-W696 WeakPolarHBondContact O-CB 3.27Å; K692-W696 PolarHBondContact O-N 3.35Å; K692-W696 VanDerWaalsContact O-N 3.1Å; F693-W696 HydrophobicContact CD2-CE3 4.11Å; F693-W696 AromaticContact CE2-CE3 3.93Å; F693-W696 HydrophobicContact CE2-CE3 3.93Å; F693-W696 AromaticContact CE2-CZ3 3.95Å; F693-W696 HydrophobicContact CE2-CZ3 3.95Å; F693-W696 WeakPolarHBondContact O-CB 3.34Å; F693-W696 PolarHBondContact O-N 2.84Å; I694-W696 VanDerWaalsContact C-N 3.26Å; I694-W696 PolarHBondContact O-N 2.9Å; W696-A700 WeakPolarHBondContact O-CB 3.36Å; W696-A700 PolarHBondContact O-N 2.78Å; W696-A700 VanDerWaalsContact O-N 3.09Å
697	L	77.7	Confident	66.9	Low	0 Å²	0	82.7 Å²	82.7	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-67.7	-48	172.5	-73.5	169	0	0	0	111.1	Y658 E665 I668 F693 I694 E699 A700 E701	Y658-L697 HydrophobicContact CD1-CD2 4.35Å; Y658-L697 HydrophobicContact CE1-CD2 4.02Å; Y658-L697 HydrophobicContact CE2-CD2 4.41Å; E665-L697 HydrophobicContact CG-CD2 4.26Å; E665-L697 VanDerWaalsContact OE1-O 3.06Å; I668-L697 HydrophobicContact CG2-CD1 3.98Å; F693-L697 HydrophobicContact CD1-CD1 4.01Å; F693-L697 HydrophobicContact CE1-CD1 3.47Å; F693-L697 VanDerWaalsContact CE1-CD1 3.47Å; F693-L697 HydrophobicContact CE1-CG 4.32Å; F693-L697 HydrophobicContact CE2-CD1 4.46Å; F693-L697 HydrophobicContact CE2-CG 4.5Å; F693-L697 HydrophobicContact CZ-CD1 3.73Å; F693-L697 HydrophobicContact CZ-CD2 4.45Å; F693-L697 HydrophobicContact CZ-CG 4.19Å; F693-L697 PolarHBondContact O-N 3.13Å; I694-L697 HydrophobicContact CD1-CD1 4.36Å; I694-L697 WeakPolarHBondContact O-CB 3.36Å; I694-L697 PolarHBondContact O-N 3.38Å; I694-L697 VanDerWaalsContact O-N 3.12Å; L697-E699 VanDerWaalsContact C-N 3.31Å; L697-E699 PolarHBondContact O-N 2.75Å; L697-A700 WeakPolarHBondContact O-CA 3.48Å; L697-A700 WeakPolarHBondContact O-CB 3.37Å; L697-A700 PolarHBondContact O-N 3.06Å; L697-E701 PolarHBondContact O-N 3.16Å
698	E	76.7	Confident	65.7	Low	91 Å²	91	83.8 Å²	83.8	43%	0.425	43%	0.434	S	S	.	.	H	α-helix	trans	-58.8	-39.5	177.1	-69.4	172.9	170.9	0	0	112.2	L669 I694 E702	L669-E698 HydrophobicContact CD2-CG 3.86Å; I694-E698 HydrophobicContact CG2-CG 4.38Å; I694-E698 WeakPolarHBondContact O-CG 3.43Å; I694-E698 PolarHBondContact O-N 2.88Å; E698-E702 PolarHBondContact O-N 2.9Å
699	E	75.4	Confident	64.1	Low	109 Å²	109	89 Å²	89	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-69.3	-30.1	173.6	-76.3	178.7	145.3	0	0	113.2	H695 L697 S703	H695-E699 IonicContact CE1-OE1 2.68Å; H695-E699 PolarHBondContact CE1-OE1 3.01Å; H695-E699 IonicContact CE1-OE2 4Å; H695-E699 VanDerWaalsContact ND1-CD 3.27Å; H695-E699 IonicContact ND1-OE1 3.68Å; H695-E699 IonicContact ND1-OE2 2.91Å; H695-E699 PolarHBondContact ND1-OE2 3.42Å; H695-E699 WeakPolarHBondContact O-CB 3.31Å; H695-E699 WeakPolarHBondContact O-CG 3.22Å; H695-E699 PolarHBondContact O-N 2.93Å; L697-E699 VanDerWaalsContact C-N 3.31Å; L697-E699 PolarHBondContact O-N 2.75Å; E699-S703 PolarHBondContact O-N 2.76Å
700	A	66.9	Low	63.9	Low	27 Å²	27	92 Å²	92	22%	0.223	47%	0.466	C	S	.	.	H	α-helix	trans	-74.1	-38.8	176.6	0	0	0	0	0	111.3	W696 L697 S703 S704	W696-A700 WeakPolarHBondContact O-CB 3.36Å; W696-A700 PolarHBondContact O-N 2.78Å; W696-A700 VanDerWaalsContact O-N 3.09Å; L697-A700 WeakPolarHBondContact O-CA 3.48Å; L697-A700 WeakPolarHBondContact O-CB 3.37Å; L697-A700 PolarHBondContact O-N 3.06Å; A700-S703 PolarHBondContact O-N 3.37Å; A700-S703 PolarHBondContact O-OG 3.02Å; A700-S704 PolarHBondContact O-N 3.37Å
701	E	58.7	Low	63.3	Low	62 Å²	62	96.8 Å²	96.8	29%	0.29	49%	0.491	S	S	.	.	H	α-helix	trans	-59.8	-51.9	174.5	-170.9	177.5	-156.6	0	0	111	L669 L697 S703 S704 E705	L669-E701 VanDerWaalsContact CD1-OE2 3.27Å; L669-E701 WeakPolarHBondContact CD1-OE2 3.49Å; L697-E701 PolarHBondContact O-N 3.16Å; E701-S703 PolarHBondContact O-N 3.24Å; E701-S703 VanDerWaalsContact O-N 3.16Å; E701-S704 PolarHBondContact O-N 2.91Å; E701-S704 PolarHBondContact O-OG 3.36Å; E701-E705 PolarHBondContact O-N 3.15Å; E701-E705 VanDerWaalsContact O-N 3.16Å
702	E	55.7	Low	62.6	Low	143 Å²	143	97.1 Å²	97.1	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-57.1	-32.6	178.1	-76.8	-174.5	170.4	0	0	112.5	E698	E698-E702 PolarHBondContact O-N 2.9Å
703	S	50.7	Low	61.7	Low	70 Å²	70	93.8 Å²	93.8	49%	0.49	48%	0.484	S	S	.	.	H	α-helix	trans	-76.2	-24.3	177.4	76	0	0	0	0	114.3	E699 A700 E701	E699-S703 PolarHBondContact O-N 2.76Å; A700-S703 PolarHBondContact O-N 3.37Å; A700-S703 PolarHBondContact O-OG 3.02Å; E701-S703 PolarHBondContact O-N 3.24Å; E701-S703 VanDerWaalsContact O-N 3.16Å
704	S	49.8	Very low	60.6	Low	71 Å²	71	98.9 Å²	98.9	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-87.5	-27.6	-179.5	70.1	0	0	0	0	113.2	A700 E701	A700-S704 PolarHBondContact O-N 3.37Å; E701-S704 PolarHBondContact O-N 2.91Å; E701-S704 PolarHBondContact O-OG 3.36Å
705	E	45.9	Very low	59.4	Low	139 Å²	139	105.3 Å²	105.3	65%	0.65	54%	0.544	S	S	*	.	H	α-helix	trans	-72.2	-29.9	172.9	-69.3	-167.6	149.5	0	0	112.4	E701 G708	E701-E705 PolarHBondContact O-N 3.15Å; E701-E705 VanDerWaalsContact O-N 3.16Å; E705-G708 PolarHBondContact O-N 2.87Å
706	E	46	Very low	58	Low	169 Å²	169	105.7 Å²	105.7	79%	0.79	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-23.4	176.6	-79.2	-167.7	156.7	0	0	114.2
707	D	45.5	Very low	56.2	Low	154 Å²	154	104.2 Å²	104.2	82%	0.824	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-0.8	178.2	-86.9	-23.1	0	0	0	113.3
708	G	46.9	Very low	54.4	Low	66 Å²	66	112.8 Å²	112.8	68%	0.68	60%	0.602	S	S	*	*			trans	-106.1	0.4	-174.6	0	0	0	0	0	117	E705	E705-G708 PolarHBondContact O-N 2.87Å
709	E	34.8	Very low	52.4	Low	253 Å²	253	114.8 Å²	114.8	100%	1.182	62%	0.618	S	S	*	*			trans	-94.4	0	174.7	-79.7	-161.7	152.2	0	0	114.9

Retrieved 709 of 709 residues in 243.2 ms (Link to these results)

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