A0A087YCA4_POEFO Loading...

bis(5'-adenosyl)-triphosphatase

Hydrolyzes extracellular Ap3A into AMP and ADP, and Ap4A into AMP and ATP. Ap3A and Ap4A are diadenosine polyphosphates thought to induce proliferation of vascular smooth muscle cells. Acts as a procoagulant, mediating platelet aggregation at the site of nascent thrombus via release of ADP from Ap3A and activation of ADP receptors.

AlphaFold DB , UniProt , Accession A0A087YCA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.8	Very low	38.5	Very low	234 Å²	234	160.9 Å²	160.9	100%	1.153	78%	0.782	S	S	*	*				0	54.1	0	-165.4	170.8	157.5	0	0	110.1
2	F	41.1	Very low	38.1	Very low	199 Å²	199	151 Å²	151	87%	0.873	75%	0.753	S	S	*	*			trans	-152.2	40	-172.2	-112.8	-83.3	0	0	0	113.4
3	P	41.6	Very low	38.1	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	74%	0.741	S	S	*	*	S	Bend	trans	-132.8	24	159	41.2	-28.9	0	0	0	114.5
4	R	38.2	Very low	38	Very low	239 Å²	239	142.9 Å²	142.9	90%	0.902	73%	0.733	S	S	*	*	S	Bend	trans	-109.6	-6.7	177.4	-80.5	-172.8	168.2	177.6	-3.3	115.6
5	M	39.7	Very low	37.8	Very low	170 Å²	170	138.7 Å²	138.7	84%	0.837	73%	0.728	S	S	*	*	S	Bend	trans	-91.2	-16.9	179.8	-107.4	175.4	151.3	0	0	114.5
6	L	37	Very low	37.8	Very low	138 Å²	138	140 Å²	140	72%	0.723	74%	0.735	S	S	*	*	H	α-helix	trans	-83.3	-19.5	179.5	-102.8	109.4	0	0	0	114.4
7	L	37.5	Very low	37.8	Very low	125 Å²	125	136 Å²	136	65%	0.654	73%	0.727	S	S	*	*	H	α-helix	trans	-80.2	-24.2	177.8	-110.6	79.7	0	0	0	113.2
8	G	34.7	Very low	37.8	Very low	57 Å²	57	133.3 Å²	133.3	59%	0.588	73%	0.727	S	S	*	*	H	α-helix	trans	-75	-25.2	177.5	0	0	0	0	0	113.8	G12	G8-G12 PolarHBondContact O-N 3.46Å
9	F	37.2	Very low	37.9	Very low	166 Å²	166	135.7 Å²	135.7	73%	0.728	73%	0.732	S	S	*	*	H	α-helix	trans	-81.9	-24.7	179.8	-138.8	-94.3	0	0	0	112.7	V13	F9-V13 WeakPolarHBondContact O-CG2 3.24Å
10	L	37.2	Very low	37.7	Very low	120 Å²	120	136.1 Å²	136.1	63%	0.628	73%	0.734	S	S	*	*	H	α-helix	trans	-82.5	-18.9	177.7	-82.6	157.7	0	0	0	113.5	S14	L10-S14 PolarHBondContact O-OG 3.38Å
11	W	36.8	Very low	37.7	Very low	212 Å²	212	136.2 Å²	136.2	80%	0.803	73%	0.734	S	S	*	*	H	α-helix	trans	-97.1	-21.5	176.5	-79.5	43	0	0	0	113.1
12	G	33.8	Very low	37.4	Very low	42 Å²	42	129.9 Å²	129.9	43%	0.433	71%	0.709	S	S	.	*	H	α-helix	trans	-74.9	-22.5	173.9	0	0	0	0	0	114.5	G8	G8-G12 PolarHBondContact O-N 3.46Å
13	V	37.9	Very low	37.6	Very low	98 Å²	98	126 Å²	126	59%	0.594	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-24.8	178.3	-175.7	0	0	0	0	111.8	F9 A15	F9-V13 WeakPolarHBondContact O-CG2 3.24Å; V13-A15 VanDerWaalsContact C-N 3.34Å
14	S	36.2	Very low	38.3	Very low	90 Å²	90	128.2 Å²	128.2	63%	0.629	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-18.7	175	-55.9	0	0	0	0	113.7	L10	L10-S14 PolarHBondContact O-OG 3.38Å
15	A	35	Very low	40	Very low	80 Å²	80	124.6 Å²	124.6	66%	0.661	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-6.9	-179.4	0	0	0	0	0	114.4	V13	V13-A15 VanDerWaalsContact C-N 3.34Å
16	L	37.9	Very low	42.4	Very low	160 Å²	160	118.3 Å²	118.3	84%	0.838	67%	0.667	S	S	*	*	S	Bend	trans	-100.5	-2.5	172.6	-85.4	151.2	0	0	0	113
17	A	38.4	Very low	45.2	Very low	72 Å²	72	113.3 Å²	113.3	60%	0.595	64%	0.641	S	S	*	*			trans	-103.1	31.3	172.7	0	0	0	0	0	111.7	E19	A17-E19 PolarHBondContact O-N 3.39Å
18	A	36.7	Very low	48.1	Very low	88 Å²	88	108.4 Å²	108.4	73%	0.727	62%	0.617	S	S	*	*			trans	-71.2	81.2	149.1	0	0	0	0	0	105.6	N20	A18-N20 PolarHBondContact O-N 3.15Å
19	E	40.5	Very low	51.2	Low	179 Å²	179	105.8 Å²	105.8	84%	0.836	59%	0.589	S	S	*	*			trans	-48.7	112.6	163.6	-84.1	176.6	151.6	0	0	106.2	A17 D21	A17-E19 PolarHBondContact O-N 3.39Å; E19-D21 PolarHBondContact O-N 2.86Å
20	N	34.5	Very low	54.1	Low	142 Å²	142	97.9 Å²	97.9	76%	0.759	55%	0.554	S	S	*	*			trans	-58.7	96.3	159.5	-126.2	6.1	0	0	0	104.3	A18 T22	A18-N20 PolarHBondContact O-N 3.15Å; N20-T22 PolarHBondContact O-N 3.24Å; N20-T22 PolarHBondContact O-OG1 3.1Å
21	D	36.3	Very low	57	Low	139 Å²	139	92.1 Å²	92.1	74%	0.743	52%	0.524	S	S	*	.			trans	-69.6	57.9	166.6	-165.9	16.4	0	0	0	107.9	E19 T23	E19-D21 PolarHBondContact O-N 2.86Å; D21-T23 PolarHBondContact O-N 3.33Å; D21-T23 VanDerWaalsContact O-N 3.08Å
22	T	38.1	Very low	60	Low	102 Å²	102	82 Å²	82	63%	0.626	49%	0.486	S	S	*	.			trans	-68.7	95.2	152.3	41.9	0	0	0	0	103.9	N20 Q24	N20-T22 PolarHBondContact O-N 3.24Å; N20-T22 PolarHBondContact O-OG1 3.1Å; T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.27Å
23	T	44	Very low	63.1	Low	116 Å²	116	80 Å²	80	71%	0.712	47%	0.466	S	S	*	.			trans	-40.9	102.3	165.3	44.1	0	0	0	0	107.5	D21 Q25	D21-T23 PolarHBondContact O-N 3.33Å; D21-T23 VanDerWaalsContact O-N 3.08Å; T23-Q25 PolarHBondContact O-N 3.24Å
24	Q	56.4	Low	66	Low	158 Å²	158	75.4 Å²	75.4	74%	0.738	44%	0.437	S	S	*	.			trans	-65	108	-175.5	-168.8	173.6	6	0	0	105.7	T22 T26	T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.27Å; Q24-T26 PolarHBondContact O-N 2.87Å
25	Q	74.4	Confident	69	Low	162 Å²	162	71.1 Å²	71.1	76%	0.757	41%	0.408	S	S	*	.			trans	-59.9	113.2	-174	-176.4	173.9	-1.9	0	0	108.5	T23 L27	T23-Q25 PolarHBondContact O-N 3.24Å; Q25-L27 HydrophobicContact CG-CD2 4.44Å; Q25-L27 PolarHBondContact O-N 3.45Å
26	T	90.5	Very high	72	Confident	38 Å²	38	67.4 Å²	67.4	23%	0.233	38%	0.377	C	S	.	.			trans	-59.3	127.8	173.3	-54.8	0	0	0	0	108.4	Q24 M179 L379 S380	Q24-T26 PolarHBondContact O-N 2.87Å; T26-M179 HydrophobicContact CG2-CE 3.82Å; T26-M179 WeakPolarHBondContact O-CE 3.43Å; T26-L379 VanDerWaalsContact CG2-O 3.31Å; T26-L379 WeakPolarHBondContact CG2-O 3.16Å; T26-S380 PolarHBondContact OG1-OG 2.93Å
27	L	95.8	Very high	74.9	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.178	34%	0.337	C	S	.	.			trans	-104.7	152.8	-179.7	-62	178.7	0	0	0	110.7	Q25 P355	Q25-L27 HydrophobicContact CG-CD2 4.44Å; Q25-L27 PolarHBondContact O-N 3.45Å; L27-P355 HydrophobicContact CD1-CB 3.58Å; L27-P355 HydrophobicContact CD1-CG 3.41Å; L27-P355 VanDerWaalsContact CD1-CG 3.41Å
28	P	98.3	Very high	77.8	Confident	22 Å²	22	57.7 Å²	57.7	14%	0.143	31%	0.313	C	S	.	.			trans	-56.9	146.8	171.7	-22.3	32.5	0	0	0	111.7	I169 M179 I230 N231	P28-I169 HydrophobicContact CB-CG2 3.84Å; P28-I169 HydrophobicContact CG-CG2 4.12Å; P28-M179 CarbonylContact C-O 3.45Å; P28-M179 VanDerWaalsContact CA-O 3.23Å; P28-M179 WeakPolarHBondContact CA-O 3.36Å; P28-M179 HydrophobicContact CG-CE 4.41Å; P28-M179 HydrophobicContact CG-SD 4.15Å; P28-I230 HydrophobicContact CB-CB 4.31Å; P28-I230 HydrophobicContact CB-CG2 3.82Å; P28-I230 HydrophobicContact CG-CG2 4.04Å; P28-I230 CarbonylContact O-C 3.27Å; P28-I230 WeakPolarHBondContact O-CA 3.47Å; P28-I230 WeakPolarHBondContact O-CB 3.31Å; P28-N231 PolarHBondContact O-N 3.26Å
29	L	98.8	Very high	80.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.9	176.2	174.5	64.4	0	0	0	109.8	M179 F180 A181 N231 I233 M375 L378 L379	L29-M179 PolarHBondContact N-O 2.86Å; L29-F180 HydrophobicContact CB-CD2 4.24Å; L29-F180 HydrophobicContact CD2-CD2 4.03Å; L29-F180 HydrophobicContact CD2-CE2 4.15Å; L29-F180 HydrophobicContact CG-CD2 4.12Å; L29-F180 HydrophobicContact CG-CE2 4.37Å; L29-F180 WeakPolarHBondContact O-CA 3.36Å; L29-A181 PolarHBondContact O-N 3.36Å; L29-N231 CarbonylContact C-O 3.5Å; L29-N231 WeakPolarHBondContact CA-O 3.33Å; L29-N231 HydrophobicContact CD1-CB 3.69Å; L29-I233 HydrophobicContact CD1-CD1 4.03Å; L29-I233 HydrophobicContact CD1-CG1 4.1Å; L29-M375 HydrophobicContact CD2-CB 3.58Å; L29-M375 HydrophobicContact CD2-CG 3.62Å; L29-M375 HydrophobicContact CD2-SD 4.01Å; L29-L378 HydrophobicContact CD1-CD1 4.22Å; L29-L379 HydrophobicContact CB-CD2 3.79Å; L29-L379 HydrophobicContact CB-CG 4.13Å; L29-L379 HydrophobicContact CD2-CD1 4.07Å; L29-L379 HydrophobicContact CD2-CG 4.08Å
30	L	98.9	Very high	83.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	171.8	176.1	57.3	0	0	0	109.8	V32 V165 I169 A181 L183 L217 L221 I230 N231 L232 I233	L30-V32 HydrophobicContact CD1-CG2 4.2Å; L30-V32 HydrophobicContact CD2-CG2 4.09Å; L30-V32 HydrophobicContact CG-CG2 3.79Å; L30-V165 HydrophobicContact CD1-CG1 3.69Å; L30-I169 HydrophobicContact CB-CD1 4.3Å; L30-I169 HydrophobicContact CD1-CD1 4.46Å; L30-I169 HydrophobicContact CD2-CD1 4.4Å; L30-A181 WeakPolarHBondContact CA-O 3.31Å; L30-A181 HydrophobicContact CD1-CB 3.79Å; L30-L183 HydrophobicContact CD1-CB 4.36Å; L30-L217 HydrophobicContact CD2-CD1 4.02Å; L30-L221 HydrophobicContact CD2-CD2 4.48Å; L30-I230 HydrophobicContact CB-CD1 4.06Å; L30-I230 HydrophobicContact CD2-CD1 4.45Å; L30-N231 PolarHBondContact N-O 2.99Å; L30-L232 HydrophobicContact CB-CD1 4.16Å; L30-L232 HydrophobicContact CD2-CD1 4.01Å; L30-L232 HydrophobicContact CG-CD1 3.95Å; L30-L232 WeakPolarHBondContact O-CA 3.26Å; L30-I233 PolarHBondContact O-N 3.44Å
31	L	98.9	Very high	86.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.7	171.2	176.5	65.8	0	0	0	109.6	V79 W136 F180 A181 T182 L183 I233 T235 M375	L31-V79 HydrophobicContact CD2-CG1 4.03Å; L31-W136 HydrophobicContact CD1-CH2 4.38Å; L31-W136 HydrophobicContact CD2-CH2 3.23Å; L31-W136 HydrophobicContact CD2-CZ2 3.61Å; L31-W136 HydrophobicContact CD2-CZ3 3.84Å; L31-W136 HydrophobicContact CG-CH2 3.55Å; L31-W136 HydrophobicContact CG-CZ2 4.41Å; L31-W136 HydrophobicContact CG-CZ3 3.79Å; L31-F180 HydrophobicContact CB-CE2 4.26Å; L31-A181 PolarHBondContact N-O 3.42Å; L31-T182 HydrophobicContact CB-CG2 4.28Å; L31-T182 HydrophobicContact CD2-CG2 4.31Å; L31-T182 CarbonylContact O-C 3.52Å; L31-T182 VanDerWaalsContact O-CA 3.26Å; L31-T182 WeakPolarHBondContact O-CA 3.39Å; L31-L183 PolarHBondContact O-N 2.82Å; L31-I233 HydrophobicContact CD1-CB 3.84Å; L31-I233 HydrophobicContact CD1-CG2 3.65Å; L31-T235 HydrophobicContact CD1-CG2 3.87Å; L31-M375 HydrophobicContact CB-SD 4.3Å; L31-M375 HydrophobicContact CD1-SD 4.33Å; L31-M375 HydrophobicContact CD2-CE 4.06Å; L31-M375 HydrophobicContact CD2-SD 3.83Å; L31-M375 HydrophobicContact CG-SD 4.39Å
32	V	98.9	Very high	89.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128	179	-174.8	0	0	0	0	109.3	L30 F34 L183 L217 L232 I233 V234 T235	L30-V32 HydrophobicContact CD1-CG2 4.2Å; L30-V32 HydrophobicContact CD2-CG2 4.09Å; L30-V32 HydrophobicContact CG-CG2 3.79Å; V32-F34 HydrophobicContact CG1-CD2 4.16Å; V32-F34 HydrophobicContact CG1-CE2 3.68Å; V32-F34 HydrophobicContact CG1-CZ 4.24Å; V32-L183 CarbonylContact C-O 3.58Å; V32-L183 WeakPolarHBondContact CA-O 3.32Å; V32-L183 HydrophobicContact CG1-CD2 4.03Å; V32-L183 HydrophobicContact CG2-CB 4.31Å; V32-L217 HydrophobicContact CG1-CD2 4.47Å; V32-L217 HydrophobicContact CG2-CD1 4.49Å; V32-L217 HydrophobicContact CG2-CD2 3.97Å; V32-L232 HydrophobicContact CG2-CD1 3.77Å; V32-I233 PolarHBondContact N-O 3.29Å; V32-V234 HydrophobicContact CB-CG2 4.28Å; V32-V234 WeakPolarHBondContact O-CA 3.38Å; V32-T235 PolarHBondContact O-N 3Å
33	S	98.9	Very high	92	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128	174.5	-170.7	0	0	0	0	110.7	H75 L183 W185 T235	S33-H75 VanDerWaalsContact CB-NE2 3.31Å; S33-H75 WeakPolarHBondContact CB-NE2 3.29Å; S33-H75 PolarHBondContact OG-NE2 3.48Å; S33-L183 PolarHBondContact N-O 2.92Å; S33-W185 PolarHBondContact O-N 3.15Å; S33-T235 WeakPolarHBondContact CA-O 3.45Å
34	F	98.9	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.3	167	-70.5	-86	0	0	0	107.4	V32 F37 F158 W185 E187 V210 N213 I214 V234 T235 S236	V32-F34 HydrophobicContact CG1-CD2 4.16Å; V32-F34 HydrophobicContact CG1-CE2 3.68Å; V32-F34 HydrophobicContact CG1-CZ 4.24Å; F34-F37 HydrophobicContact CB-CB 4.23Å; F34-F37 HydrophobicContact CB-CD1 3.84Å; F34-F37 HydrophobicContact CG-CD1 4.4Å; F34-F37 WeakPolarHBondContact O-CB 3.48Å; F34-F37 PolarHBondContact O-N 3.01Å; F34-F158 HydrophobicContact CE1-CD2 4.48Å; F34-F158 AromaticContact CE1-CE2 3.85Å; F34-F158 HydrophobicContact CE1-CE2 3.85Å; F34-F158 HydrophobicContact CE1-CZ 4.28Å; F34-F158 AromaticContact CZ-CE2 3.84Å; F34-F158 HydrophobicContact CZ-CE2 3.84Å; F34-F158 AromaticContact CZ-CZ 3.91Å; F34-F158 HydrophobicContact CZ-CZ 3.91Å; F34-W185 HydrophobicContact CD1-CB 3.96Å; F34-W185 AromaticContact CD1-CD1 3.8Å; F34-W185 HydrophobicContact CD1-CG 4.22Å; F34-W185 HydrophobicContact CE1-CB 4.21Å; F34-W185 HydrophobicContact CE1-CG 4.32Å; F34-E187 WeakPolarHBondContact CB-O 3.47Å; F34-V210 HydrophobicContact CB-CG1 4.49Å; F34-V210 HydrophobicContact CD1-CG1 3.73Å; F34-V210 HydrophobicContact CE1-CG1 4.1Å; F34-V210 HydrophobicContact CG-CG1 4.09Å; F34-N213 HydrophobicContact CE1-CB 4.08Å; F34-N213 HydrophobicContact CZ-CB 4.35Å; F34-I214 HydrophobicContact CE2-CD1 4.15Å; F34-I214 HydrophobicContact CE2-CG1 3.61Å; F34-I214 HydrophobicContact CZ-CD1 4.49Å; F34-I214 HydrophobicContact CZ-CG1 3.65Å; F34-V234 HydrophobicContact CD2-CG1 3.84Å; F34-V234 HydrophobicContact CE2-CG1 3.83Å; F34-T235 PolarHBondContact N-O 3.48Å; F34-T235 VanDerWaalsContact N-O 3.08Å; F34-S236 WeakPolarHBondContact O-CB 3.42Å; F34-S236 PolarHBondContact O-OG 3.36Å
35	D	98.8	Very high	96.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135.1	-171.2	-158.4	-38.8	0	0	0	111.9	F37 T71 Y184 W185 E187 P188 D189 H238	D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 3.15Å; D35-T71 WeakPolarHBondContact OD2-CG2 3.48Å; D35-Y184 HydrophobicContact CB-CE2 3.72Å; D35-Y184 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y184 VanDerWaalsContact OD2-CZ 3.3Å; D35-Y184 PolarHBondContact OD2-OH 3.44Å; D35-W185 WeakPolarHBondContact CB-O 3.29Å; D35-W185 PolarHBondContact N-O 2.87Å; D35-E187 CarbonylContact O-C 3.52Å; D35-P188 WeakPolarHBondContact O-CD 3.28Å; D35-P188 VanDerWaalsContact O-N 3.09Å; D35-D189 HydrophobicContact CB-CB 3.74Å; D35-D189 WeakPolarHBondContact O-CB 3.3Å; D35-D189 PolarHBondContact O-N 3.44Å; D35-D189 WeakPolarHBondContact OD1-CB 3.46Å; D35-H238 IonicContact OD1-CE1 2.8Å; D35-H238 PolarHBondContact OD1-CE1 3.18Å; D35-H238 IonicContact OD1-NE2 2.61Å; D35-H238 PolarHBondContact OD1-NE2 2.94Å
36	G	98.7	Very high	97.6	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	18.5	175.3	0	0	0	0	0	115.7	R38 S236 D237 H238	G36-R38 VanDerWaalsContact C-N 3.35Å; G36-R38 PolarHBondContact O-N 2.92Å; G36-S236 PolarHBondContact N-OG 2.9Å; G36-D237 PolarHBondContact N-OD1 3.32Å; G36-H238 CarbonylContact C-O 3.48Å; G36-H238 VanDerWaalsContact C-O 3.27Å; G36-H238 VanDerWaalsContact CA-O 3.25Å; G36-H238 WeakPolarHBondContact CA-O 3.48Å
37	F	98.7	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.			trans	-79.7	83.9	178.1	-157.6	160.7	0	0	0	110.6	F34 D35 Y41 L42 M47 L50 P188 L207 V210 I214 S236 H238 F349	F34-F37 HydrophobicContact CB-CB 4.23Å; F34-F37 HydrophobicContact CB-CD1 3.84Å; F34-F37 HydrophobicContact CG-CD1 4.4Å; F34-F37 WeakPolarHBondContact O-CB 3.48Å; F34-F37 PolarHBondContact O-N 3.01Å; D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 3.15Å; F37-Y41 AromaticContact CD2-CD2 3.74Å; F37-Y41 HydrophobicContact CD2-CD2 3.74Å; F37-Y41 HydrophobicContact CD2-CG 4.36Å; F37-Y41 HydrophobicContact CE2-CD2 4.11Å; F37-Y41 HydrophobicContact CE2-CG 4.41Å; F37-L42 HydrophobicContact CE2-CD1 3.97Å; F37-L42 HydrophobicContact CZ-CD1 4.41Å; F37-M47 HydrophobicContact CE2-CE 3.73Å; F37-M47 HydrophobicContact CZ-CE 3.46Å; F37-M47 VanDerWaalsContact CZ-CE 3.46Å; F37-M47 HydrophobicContact CZ-SD 4.08Å; F37-L50 HydrophobicContact CE1-CD2 4.34Å; F37-L50 HydrophobicContact CZ-CD2 3.99Å; F37-P188 HydrophobicContact CB-CG 3.94Å; F37-P188 HydrophobicContact CG-CG 4.13Å; F37-L207 HydrophobicContact CE2-CD2 4.34Å; F37-V210 HydrophobicContact CD1-CG1 3.78Å; F37-V210 HydrophobicContact CE1-CG1 3.47Å; F37-V210 VanDerWaalsContact CE1-CG1 3.47Å; F37-V210 HydrophobicContact CZ-CG1 4.37Å; F37-I214 HydrophobicContact CE1-CD1 4.32Å; F37-S236 PolarHBondContact N-OG 3.28Å; F37-H238 PolarHBondContact N-O 2.81Å; F37-F349 HydrophobicContact CB-CE1 4.21Å; F37-F349 AromaticContact CD1-CE1 3.7Å; F37-F349 HydrophobicContact CD1-CE1 3.7Å; F37-F349 HydrophobicContact CD1-CZ 4.17Å; F37-F349 HydrophobicContact CD2-CD1 4.3Å; F37-F349 AromaticContact CD2-CE1 3.75Å; F37-F349 HydrophobicContact CD2-CE1 3.75Å; F37-F349 AromaticContact CE1-CE1 3.87Å; F37-F349 HydrophobicContact CE1-CE1 3.87Å; F37-F349 HydrophobicContact CE1-CZ 4.09Å; F37-F349 AromaticContact CE2-CE1 3.92Å; F37-F349 HydrophobicContact CE2-CE1 3.92Å; F37-F349 HydrophobicContact CG-CD1 4.47Å; F37-F349 AromaticContact CG-CE1 3.64Å; F37-F349 HydrophobicContact CG-CE1 3.64Å; F37-F349 AromaticContact CZ-CE1 3.98Å; F37-F349 HydrophobicContact CZ-CE1 3.98Å; F37-F349 HydrophobicContact CZ-CZ 4.4Å
38	R	98.4	Very high	98.1	Very high	29 Å²	29	26.1 Å²	26.1	11%	0.109	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-55.2	136.5	174.8	-172.4	176.7	158.5	157.8	0.6	112.1	G36 D40 Y41 M240 S345	G36-R38 VanDerWaalsContact C-N 3.35Å; G36-R38 PolarHBondContact O-N 2.92Å; R38-D40 VanDerWaalsContact CD-OD1 3.27Å; R38-D40 WeakPolarHBondContact CD-OD1 3.28Å; R38-D40 WeakPolarHBondContact CG-OD1 3.32Å; R38-D40 IonicContact CZ-OD1 3.97Å; R38-D40 IonicContact CZ-OD2 2.96Å; R38-D40 IonicContact NE-OD1 3.63Å; R38-D40 PolarHBondContact NE-OD1 2.95Å; R38-D40 IonicContact NE-OD2 3.83Å; R38-D40 PolarHBondContact NE-OD2 2.72Å; R38-D40 IonicContact NH2-OD2 3.03Å; R38-D40 PolarHBondContact NH2-OD2 3.25Å; R38-D40 PolarHBondContact O-N 3.27Å; R38-Y41 HydrophobicContact CB-CD1 4.16Å; R38-Y41 HydrophobicContact CB-CD2 4.08Å; R38-Y41 HydrophobicContact CB-CE1 3.99Å; R38-Y41 HydrophobicContact CB-CE2 3.89Å; R38-Y41 HydrophobicContact CB-CG 4.22Å; R38-Y41 VanDerWaalsContact O-CB 3.27Å; R38-Y41 WeakPolarHBondContact O-CB 3.27Å; R38-Y41 PolarHBondContact O-N 2.95Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; R38-M240 WeakPolarHBondContact CD-O 3.36Å; R38-M240 PolarHBondContact NH1-O 2.63Å; R38-S345 WeakPolarHBondContact CD-O 3.46Å; R38-S345 WeakPolarHBondContact CG-O 3.47Å
39	A	98.3	Very high	98.1	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-41.3	-174.2	0	0	0	0	0	114.6	Y41 L42 D61 Q62 H347 F349	A39-Y41 PolarHBondContact O-N 3.48Å; A39-Y41 VanDerWaalsContact O-N 3.14Å; A39-L42 VanDerWaalsContact O-CD1 3.31Å; A39-L42 WeakPolarHBondContact O-CD1 3.21Å; A39-L42 PolarHBondContact O-N 2.95Å; A39-D61 VanDerWaalsContact CB-O 3.29Å; A39-D61 WeakPolarHBondContact CB-O 3.28Å; A39-Q62 HydrophobicContact CB-CG 3.67Å; A39-H347 WeakPolarHBondContact CB-O 3.39Å; A39-H347 PolarHBondContact N-O 3.45Å; A39-F349 HydrophobicContact CB-CB 4.28Å
40	D	97.3	Very high	98.1	Very high	38 Å²	38	27.1 Å²	27.1	20%	0.203	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.6	-177.3	69	-1.2	0	0	0	113.7	R38 L42 D43 R44	R38-D40 VanDerWaalsContact CD-OD1 3.27Å; R38-D40 WeakPolarHBondContact CD-OD1 3.28Å; R38-D40 WeakPolarHBondContact CG-OD1 3.32Å; R38-D40 IonicContact CZ-OD1 3.97Å; R38-D40 IonicContact CZ-OD2 2.96Å; R38-D40 IonicContact NE-OD1 3.63Å; R38-D40 PolarHBondContact NE-OD1 2.95Å; R38-D40 IonicContact NE-OD2 3.83Å; R38-D40 PolarHBondContact NE-OD2 2.72Å; R38-D40 IonicContact NH2-OD2 3.03Å; R38-D40 PolarHBondContact NH2-OD2 3.25Å; R38-D40 PolarHBondContact O-N 3.27Å; D40-L42 PolarHBondContact O-N 3.4Å; D40-D43 PolarHBondContact O-N 3.03Å; D40-D43 VanDerWaalsContact O-N 3.09Å; D40-R44 WeakPolarHBondContact O-CB 3.39Å; D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.45Å
41	Y	98.3	Very high	98	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-25.2	172	-68.5	-7.2	0	0	0	112.5	F37 R38 A39 D43 R44 F45 P188 P197 M203 L207	F37-Y41 AromaticContact CD2-CD2 3.74Å; F37-Y41 HydrophobicContact CD2-CD2 3.74Å; F37-Y41 HydrophobicContact CD2-CG 4.36Å; F37-Y41 HydrophobicContact CE2-CD2 4.11Å; F37-Y41 HydrophobicContact CE2-CG 4.41Å; R38-Y41 HydrophobicContact CB-CD1 4.16Å; R38-Y41 HydrophobicContact CB-CD2 4.08Å; R38-Y41 HydrophobicContact CB-CE1 3.99Å; R38-Y41 HydrophobicContact CB-CE2 3.89Å; R38-Y41 HydrophobicContact CB-CG 4.22Å; R38-Y41 VanDerWaalsContact O-CB 3.27Å; R38-Y41 WeakPolarHBondContact O-CB 3.27Å; R38-Y41 PolarHBondContact O-N 2.95Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; A39-Y41 PolarHBondContact O-N 3.48Å; A39-Y41 VanDerWaalsContact O-N 3.14Å; Y41-D43 PolarHBondContact O-N 3.32Å; Y41-R44 PolarHBondContact O-N 2.81Å; Y41-F45 HydrophobicContact CD1-CD2 4.19Å; Y41-F45 AromaticContact CD1-CE2 3.77Å; Y41-F45 HydrophobicContact CD1-CE2 3.77Å; Y41-F45 HydrophobicContact CE1-CE2 4.24Å; Y41-F45 HydrophobicContact CG-CD2 4.25Å; Y41-F45 HydrophobicContact CG-CE2 4.22Å; Y41-F45 PolarHBondContact O-N 2.94Å; Y41-F45 VanDerWaalsContact O-N 3.08Å; Y41-P188 HydrophobicContact CD2-CG 4.46Å; Y41-P188 HydrophobicContact CE2-CG 4.2Å; Y41-P197 HydrophobicContact CE1-CB 4.33Å; Y41-P197 VanDerWaalsContact OH-CB 3.23Å; Y41-P197 WeakPolarHBondContact OH-CB 3.25Å; Y41-M203 HydrophobicContact CE2-CE 4.29Å; Y41-L207 HydrophobicContact CD1-CD1 4.37Å; Y41-L207 HydrophobicContact CD2-CD1 3.72Å; Y41-L207 HydrophobicContact CD2-CD2 3.75Å; Y41-L207 HydrophobicContact CD2-CG 4.38Å; Y41-L207 HydrophobicContact CE2-CD1 4.29Å; Y41-L207 HydrophobicContact CE2-CD2 4.27Å; Y41-L207 HydrophobicContact CG-CD1 3.76Å
42	L	96.3	Very high	97.9	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-29.3	174.4	-82.5	74.3	0	0	0	112.5	F37 A39 D40 L50 Y54 L59 F349	F37-L42 HydrophobicContact CE2-CD1 3.97Å; F37-L42 HydrophobicContact CZ-CD1 4.41Å; A39-L42 VanDerWaalsContact O-CD1 3.31Å; A39-L42 WeakPolarHBondContact O-CD1 3.21Å; A39-L42 PolarHBondContact O-N 2.95Å; D40-L42 PolarHBondContact O-N 3.4Å; L42-L50 HydrophobicContact CD1-CD2 4Å; L42-L50 HydrophobicContact CD2-CD2 4.12Å; L42-L50 HydrophobicContact CG-CD2 3.85Å; L42-Y54 HydrophobicContact CD2-CE1 4.24Å; L42-L59 HydrophobicContact CD2-CD1 3.88Å; L42-L59 HydrophobicContact CD2-CD2 4.38Å; L42-F349 HydrophobicContact CD1-CB 4.26Å; L42-F349 HydrophobicContact CD1-CD1 3.42Å; L42-F349 VanDerWaalsContact CD1-CD1 3.42Å; L42-F349 HydrophobicContact CD1-CD2 4.28Å; L42-F349 HydrophobicContact CD1-CE1 3.77Å; L42-F349 HydrophobicContact CD1-CG 3.71Å; L42-F349 HydrophobicContact CD1-CZ 4.35Å; L42-F349 HydrophobicContact CD2-CD2 4.27Å; L42-F349 HydrophobicContact CD2-CG 4.28Å
43	D	95	Very high	97.8	Very high	135 Å²	135	36.7 Å²	36.7	72%	0.722	19%	0.192	S	C	*	.	H	α-helix	trans	-99.4	-29	179.8	-63.5	-44.2	0	0	0	112	D40 Y41	D40-D43 PolarHBondContact O-N 3.03Å; D40-D43 VanDerWaalsContact O-N 3.09Å; Y41-D43 PolarHBondContact O-N 3.32Å
44	R	96.4	Very high	97.7	Very high	79 Å²	79	39.1 Å²	39.1	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-79.7	-25.9	-178.4	-69.9	172.3	64.5	166.7	4.4	113.7	D40 Y41 P197 E198	D40-R44 WeakPolarHBondContact O-CB 3.39Å; D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.45Å; Y41-R44 PolarHBondContact O-N 2.81Å; R44-P197 PolarHBondContact NH2-O 3.02Å; R44-E198 IonicContact CZ-OE1 3.45Å; R44-E198 IonicContact CZ-OE2 3.44Å; R44-E198 IonicContact NH1-OE1 3.49Å; R44-E198 PolarHBondContact NH1-OE1 3.15Å; R44-E198 IonicContact NH1-OE2 3.86Å; R44-E198 IonicContact NH2-OE1 3.38Å; R44-E198 PolarHBondContact NH2-OE1 3.3Å; R44-E198 IonicContact NH2-OE2 3.29Å; R44-E198 PolarHBondContact NH2-OE2 2.86Å
45	F	97.9	Very high	97.4	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.057	22%	0.223	C	C	.	.	S	Bend	trans	-132.4	151.8	-173.1	-58.6	-88	0	0	0	112.2	Y41 M47 M203 T204 L207	Y41-F45 HydrophobicContact CD1-CD2 4.19Å; Y41-F45 AromaticContact CD1-CE2 3.77Å; Y41-F45 HydrophobicContact CD1-CE2 3.77Å; Y41-F45 HydrophobicContact CE1-CE2 4.24Å; Y41-F45 HydrophobicContact CG-CD2 4.25Å; Y41-F45 HydrophobicContact CG-CE2 4.22Å; Y41-F45 PolarHBondContact O-N 2.94Å; Y41-F45 VanDerWaalsContact O-N 3.08Å; F45-M47 HydrophobicContact CB-CE 4.12Å; F45-M47 PolarHBondContact O-N 3.5Å; F45-M203 HydrophobicContact CE1-CB 3.96Å; F45-M203 HydrophobicContact CZ-CB 3.73Å; F45-T204 WeakPolarHBondContact CE1-OG1 3.45Å; F45-L207 HydrophobicContact CB-CB 4.45Å; F45-L207 HydrophobicContact CB-CD1 4.03Å; F45-L207 HydrophobicContact CD1-CD1 3.99Å; F45-L207 HydrophobicContact CD2-CD1 3.09Å; F45-L207 HydrophobicContact CE1-CD1 4.21Å; F45-L207 HydrophobicContact CE2-CD1 3.36Å; F45-L207 HydrophobicContact CG-CB 4.45Å; F45-L207 HydrophobicContact CG-CD1 3.43Å; F45-L207 VanDerWaalsContact CG-CD1 3.43Å; F45-L207 HydrophobicContact CZ-CD1 3.92Å
46	P	97.6	Very high	97.1	Very high	102 Å²	102	45.7 Å²	45.7	66%	0.662	24%	0.239	S	C	*	.			trans	-67.1	117.8	175.1	-18.9	32.2	0	0	0	111.6	P48	P46-P48 VanDerWaalsContact C-CD 3.43Å; P46-P48 WeakPolarHBondContact O-CD 3.31Å
47	M	98	Very high	96.9	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.064	24%	0.239	C	C	.	.			trans	-125.2	60.7	-179.4	-61.8	-65.8	-170.1	0	0	112	F37 F45 N49 L50 K51 L207 D211	F37-M47 HydrophobicContact CE2-CE 3.73Å; F37-M47 HydrophobicContact CZ-CE 3.46Å; F37-M47 VanDerWaalsContact CZ-CE 3.46Å; F37-M47 HydrophobicContact CZ-SD 4.08Å; F45-M47 HydrophobicContact CB-CE 4.12Å; F45-M47 PolarHBondContact O-N 3.5Å; M47-N49 PolarHBondContact O-N 3.41Å; M47-L50 HydrophobicContact CB-CB 4.14Å; M47-K51 WeakPolarHBondContact O-CB 3.09Å; M47-K51 PolarHBondContact O-N 3.27Å; M47-L207 HydrophobicContact CE-CB 3.6Å; M47-L207 HydrophobicContact CE-CD1 3.94Å; M47-L207 HydrophobicContact CE-CD2 3.88Å; M47-L207 HydrophobicContact CE-CG 3.99Å; M47-D211 WeakPolarHBondContact CA-OD1 3.48Å; M47-D211 HydrophobicContact SD-CB 3.81Å
48	P	98.3	Very high	96.9	Very high	82 Å²	82	45.6 Å²	45.6	53%	0.532	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-36.5	-173.1	25.1	-34.9	0	0	0	113.8	P46 L52 D211	P46-P48 VanDerWaalsContact C-CD 3.43Å; P46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-L52 WeakPolarHBondContact O-CB 3.09Å; P48-L52 PolarHBondContact O-N 3.48Å; P48-D211 WeakPolarHBondContact CD-OD2 3.4Å; P48-D211 WeakPolarHBondContact CG-OD2 3.43Å
49	N	98.6	Very high	96.9	Very high	44 Å²	44	44.4 Å²	44.4	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-73.5	-44.9	179.9	-65.2	-72.7	0	0	0	111.3	M47 K51 L52 L53 D211 I214 G215	M47-N49 PolarHBondContact O-N 3.41Å; N49-K51 VanDerWaalsContact C-N 3.31Å; N49-K51 PolarHBondContact O-N 3.39Å; N49-L52 WeakPolarHBondContact O-CB 2.96Å; N49-L52 PolarHBondContact O-N 3.3Å; N49-L53 PolarHBondContact O-N 2.95Å; N49-D211 WeakPolarHBondContact CB-O 3.33Å; N49-D211 WeakPolarHBondContact CB-OD2 3.48Å; N49-D211 PolarHBondContact N-OD1 2.85Å; N49-D211 VanDerWaalsContact N-OD1 3.13Å; N49-D211 PolarHBondContact N-OD2 3.48Å; N49-D211 PolarHBondContact ND2-O 2.91Å; N49-D211 PolarHBondContact ND2-OD2 2.69Å; N49-I214 HydrophobicContact CB-CB 4.36Å; N49-I214 HydrophobicContact CB-CG2 4.17Å; N49-G215 WeakPolarHBondContact OD1-CA 3.44Å
50	L	98.3	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-40.7	174.4	179.6	55.9	0	0	0	111.5	F37 L42 M47 L52 L53 Y54 D211 I214 F349 A351	F37-L50 HydrophobicContact CE1-CD2 4.34Å; F37-L50 HydrophobicContact CZ-CD2 3.99Å; L42-L50 HydrophobicContact CD1-CD2 4Å; L42-L50 HydrophobicContact CD2-CD2 4.12Å; L42-L50 HydrophobicContact CG-CD2 3.85Å; M47-L50 HydrophobicContact CB-CB 4.14Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.96Å; L50-L53 WeakPolarHBondContact O-CB 3.34Å; L50-L53 PolarHBondContact O-N 2.86Å; L50-L53 VanDerWaalsContact O-N 3.16Å; L50-Y54 HydrophobicContact CD1-CD1 4.42Å; L50-Y54 HydrophobicContact CG-CD1 4.19Å; L50-Y54 HydrophobicContact CG-CE1 4.37Å; L50-Y54 WeakPolarHBondContact O-CD1 3.02Å; L50-Y54 PolarHBondContact O-N 3.41Å; L50-D211 PolarHBondContact N-OD1 2.89Å; L50-I214 HydrophobicContact CB-CD1 3.92Å; L50-I214 HydrophobicContact CD1-CD1 4.21Å; L50-I214 HydrophobicContact CD2-CD1 4.36Å; L50-I214 HydrophobicContact CG-CD1 4.38Å; L50-F349 HydrophobicContact CD1-CE2 3.86Å; L50-F349 HydrophobicContact CD1-CZ 4.15Å; L50-F349 HydrophobicContact CD2-CE1 4.29Å; L50-F349 HydrophobicContact CD2-CE2 3.89Å; L50-F349 HydrophobicContact CD2-CZ 3.64Å; L50-F349 HydrophobicContact CG-CE2 4.47Å; L50-A351 HydrophobicContact CD1-CB 3.84Å
51	K	97.5	Very high	96.9	Very high	130 Å²	130	44.3 Å²	44.3	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-60.5	-42.2	173.9	-177.7	167.9	-176	176.4	0	112.4	M47 N49 L53 Y54 S55	M47-K51 WeakPolarHBondContact O-CB 3.09Å; M47-K51 PolarHBondContact O-N 3.27Å; N49-K51 VanDerWaalsContact C-N 3.31Å; N49-K51 PolarHBondContact O-N 3.39Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-Y54 VanDerWaalsContact CA-CE1 3.42Å; K51-Y54 HydrophobicContact CB-CE1 4.14Å; K51-Y54 HydrophobicContact CG-CE2 4.25Å; K51-Y54 WeakPolarHBondContact CG-OH 3.25Å; K51-S55 WeakPolarHBondContact O-CB 3.4Å; K51-S55 PolarHBondContact O-N 2.84Å; K51-S55 PolarHBondContact O-OG 2.91Å
52	L	97.1	Very high	96.9	Very high	71 Å²	71	47.5 Å²	47.5	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-42.8	174.2	-176.7	62.9	0	0	0	111.2	P48 N49 L50 S55 M218	P48-L52 WeakPolarHBondContact O-CB 3.09Å; P48-L52 PolarHBondContact O-N 3.48Å; N49-L52 WeakPolarHBondContact O-CB 2.96Å; N49-L52 PolarHBondContact O-N 3.3Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.96Å; L52-S55 PolarHBondContact O-N 3.33Å; L52-S55 PolarHBondContact O-OG 2.83Å; L52-M218 HydrophobicContact CB-CE 4.24Å; L52-M218 HydrophobicContact CD2-CE 3.67Å; L52-M218 HydrophobicContact CG-CE 3.8Å
53	L	96.9	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-56.5	179.1	-173.2	155	0	0	0	111.9	N49 L50 K51 S55 Q56 I214 M218 L232 V234 A351 T353	N49-L53 PolarHBondContact O-N 2.95Å; L50-L53 WeakPolarHBondContact O-CB 3.34Å; L50-L53 PolarHBondContact O-N 2.86Å; L50-L53 VanDerWaalsContact O-N 3.16Å; K51-L53 VanDerWaalsContact C-N 3.33Å; L53-S55 PolarHBondContact O-N 3.48Å; L53-Q56 PolarHBondContact O-N 3.35Å; L53-I214 HydrophobicContact CD1-CG2 4.04Å; L53-M218 HydrophobicContact CB-SD 3.97Å; L53-M218 HydrophobicContact CD1-CG 4.35Å; L53-M218 HydrophobicContact CD1-SD 4.41Å; L53-L232 HydrophobicContact CD1-CD2 3.86Å; L53-V234 HydrophobicContact CD1-CG2 3.78Å; L53-A351 HydrophobicContact CD2-CB 3.88Å; L53-T353 HydrophobicContact CD2-CG2 4.19Å; L53-T353 HydrophobicContact CG-CG2 4.14Å
54	Y	95.6	Very high	97.1	Very high	50 Å²	50	41.4 Å²	41.4	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-76.2	-21.5	-176.7	68.8	-113.7	0	0	0	113.4	L42 L50 K51 Q56 G57 L59	L42-Y54 HydrophobicContact CD2-CE1 4.24Å; L50-Y54 HydrophobicContact CD1-CD1 4.42Å; L50-Y54 HydrophobicContact CG-CD1 4.19Å; L50-Y54 HydrophobicContact CG-CE1 4.37Å; L50-Y54 WeakPolarHBondContact O-CD1 3.02Å; L50-Y54 PolarHBondContact O-N 3.41Å; K51-Y54 VanDerWaalsContact CA-CE1 3.42Å; K51-Y54 HydrophobicContact CB-CE1 4.14Å; K51-Y54 HydrophobicContact CG-CE2 4.25Å; K51-Y54 WeakPolarHBondContact CG-OH 3.25Å; Y54-Q56 PolarHBondContact O-N 3.31Å; Y54-Q56 VanDerWaalsContact O-N 3.14Å; Y54-G57 CarbonylContact O-C 3.47Å; Y54-G57 PolarHBondContact O-N 3.48Å; Y54-L59 HydrophobicContact CD1-CD1 4.11Å; Y54-L59 HydrophobicContact CD1-CD2 4.28Å; Y54-L59 HydrophobicContact CD2-CB 4.18Å; Y54-L59 HydrophobicContact CD2-CD2 4.18Å; Y54-L59 HydrophobicContact CE1-CD2 4.16Å; Y54-L59 HydrophobicContact CE2-CD2 4.13Å; Y54-L59 HydrophobicContact CG-CB 4.08Å; Y54-L59 HydrophobicContact CG-CD1 4.35Å; Y54-L59 HydrophobicContact CG-CD2 4.3Å; Y54-L59 HydrophobicContact CG-CG 4.49Å
55	S	94.4	Very high	97.2	Very high	67 Å²	67	37.7 Å²	37.7	47%	0.469	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-21.6	173.5	72.5	0	0	0	0	113	K51 L52 L53	K51-S55 WeakPolarHBondContact O-CB 3.4Å; K51-S55 PolarHBondContact O-N 2.84Å; K51-S55 PolarHBondContact O-OG 2.91Å; L52-S55 PolarHBondContact O-N 3.33Å; L52-S55 PolarHBondContact O-OG 2.83Å; L53-S55 PolarHBondContact O-N 3.48Å
56	Q	90.6	Very high	97.2	Very high	72 Å²	72	37.2 Å²	37.2	34%	0.336	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	15.9	177.7	-59.1	177.9	14.3	0	0	112.1	L53 Y54 T353	L53-Q56 PolarHBondContact O-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.31Å; Y54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-T353 PolarHBondContact O-OG1 2.86Å
57	G	95.9	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-161.5	-132.6	-174.1	0	0	0	0	0	111.4	Y54 A352 H358 Q359 G360 L361	Y54-G57 CarbonylContact O-C 3.47Å; Y54-G57 PolarHBondContact O-N 3.48Å; G57-A352 CarbonylContact C-O 3.5Å; G57-A352 VanDerWaalsContact CA-O 3.29Å; G57-A352 WeakPolarHBondContact CA-O 3.42Å; G57-H358 CarbonylContact C-O 3.6Å; G57-H358 WeakPolarHBondContact CA-O 3.46Å; G57-Q359 CarbonylContact O-C 3.47Å; G57-G360 PolarHBondContact O-N 3.45Å; G57-L361 PolarHBondContact O-N 3.38Å
58	V	97.5	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.2	-178.4	-53.4	0	0	0	0	111.6	A351 A352 F357 H358 L361 L396	V58-A351 WeakPolarHBondContact O-CA 3.41Å; V58-A352 HydrophobicContact CG2-CB 3.73Å; V58-A352 PolarHBondContact N-O 2.87Å; V58-A352 PolarHBondContact O-N 3.3Å; V58-F357 HydrophobicContact CG1-CB 4.34Å; V58-F357 HydrophobicContact CG2-CD1 4.07Å; V58-H358 HydrophobicContact CG1-CB 4.05Å; V58-H358 WeakPolarHBondContact CG1-O 3.41Å; V58-L361 CarbonylContact C-O 3.6Å; V58-L361 VanDerWaalsContact CA-O 3.23Å; V58-L361 WeakPolarHBondContact CA-O 2.98Å; V58-L361 HydrophobicContact CB-CB 4.48Å; V58-L361 HydrophobicContact CG1-CB 3.89Å; V58-L361 HydrophobicContact CG1-CD2 4.38Å; V58-L396 HydrophobicContact CB-CD2 3.99Å; V58-L396 HydrophobicContact CG1-CD2 4.33Å; V58-L396 HydrophobicContact CG2-CD2 3.93Å
59	L	98.4	Very high	97.3	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.6	169.3	179.2	66	0	0	0	109.5	L42 Y54 F349 L350 A351 L361 R362 L363	L42-L59 HydrophobicContact CD2-CD1 3.88Å; L42-L59 HydrophobicContact CD2-CD2 4.38Å; Y54-L59 HydrophobicContact CD1-CD1 4.11Å; Y54-L59 HydrophobicContact CD1-CD2 4.28Å; Y54-L59 HydrophobicContact CD2-CB 4.18Å; Y54-L59 HydrophobicContact CD2-CD2 4.18Å; Y54-L59 HydrophobicContact CE1-CD2 4.16Å; Y54-L59 HydrophobicContact CE2-CD2 4.13Å; Y54-L59 HydrophobicContact CG-CB 4.08Å; Y54-L59 HydrophobicContact CG-CD1 4.35Å; Y54-L59 HydrophobicContact CG-CD2 4.3Å; Y54-L59 HydrophobicContact CG-CG 4.49Å; L59-F349 HydrophobicContact CD1-CD2 4.26Å; L59-L350 CarbonylContact C-O 3.51Å; L59-L350 WeakPolarHBondContact CA-O 3Å; L59-A351 HydrophobicContact CD1-CB 4.31Å; L59-L361 PolarHBondContact N-O 3.49Å; L59-R362 HydrophobicContact CB-CG 4.39Å; L59-R362 HydrophobicContact CD2-CG 4.46Å; L59-R362 CarbonylContact O-C 3.24Å; L59-R362 VanDerWaalsContact O-CA 3.28Å; L59-R362 WeakPolarHBondContact O-CA 3.49Å; L59-L363 PolarHBondContact O-N 3.28Å
60	V	98.4	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.2	160.4	-172.3	0	0	0	0	106.7	Q62 L63 L350 L363 L366 L396	V60-Q62 VanDerWaalsContact C-N 3.29Å; V60-Q62 PolarHBondContact O-N 3.43Å; V60-L63 HydrophobicContact CB-CD2 4.47Å; V60-L63 HydrophobicContact CG1-CD2 4.13Å; V60-L350 HydrophobicContact CB-CB 4.09Å; V60-L350 HydrophobicContact CG2-CB 4.24Å; V60-L350 HydrophobicContact CG2-CD2 4.13Å; V60-L350 PolarHBondContact N-O 2.8Å; V60-L350 PolarHBondContact O-N 3.46Å; V60-L350 VanDerWaalsContact O-N 3.12Å; V60-L363 CarbonylContact C-O 3.21Å; V60-L363 WeakPolarHBondContact CA-O 3.32Å; V60-L363 HydrophobicContact CG1-CB 4.45Å; V60-L363 HydrophobicContact CG2-CB 4.32Å; V60-L366 HydrophobicContact CG1-CB 3.85Å; V60-L396 HydrophobicContact CG2-CD1 4.19Å; V60-L396 HydrophobicContact CG2-CD2 4.15Å
61	D	98	Very high	97.2	Very high	43 Å²	43	27 Å²	27	23%	0.23	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-43.8	-174.3	-65.5	-33.1	0	0	0	111.2	A39 R362 L363 K364	A39-D61 VanDerWaalsContact CB-O 3.29Å; A39-D61 WeakPolarHBondContact CB-O 3.28Å; D61-R362 IonicContact OD1-CZ 2.72Å; D61-R362 IonicContact OD1-NE 3.68Å; D61-R362 PolarHBondContact OD1-NE 2.59Å; D61-R362 IonicContact OD1-NH2 3.94Å; D61-R362 PolarHBondContact OD1-NH2 3.28Å; D61-R362 IonicContact OD2-CZ 2.67Å; D61-R362 IonicContact OD2-NE 3.1Å; D61-R362 PolarHBondContact OD2-NE 3.22Å; D61-R362 IonicContact OD2-NH2 3.46Å; D61-L363 PolarHBondContact N-O 3.29Å; D61-K364 WeakPolarHBondContact CB-O 3.28Å
62	Q	97.8	Very high	97.2	Very high	67 Å²	67	22 Å²	22	31%	0.313	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.6	-178.2	-66.8	179.2	-15.2	0	0	111.9	A39 V60 H347 P348 K364 S365 L366	A39-Q62 HydrophobicContact CB-CG 3.67Å; V60-Q62 VanDerWaalsContact C-N 3.29Å; V60-Q62 PolarHBondContact O-N 3.43Å; Q62-H347 HydrophobicContact CB-CB 4.2Å; Q62-H347 HydrophobicContact CG-CB 4.38Å; Q62-P348 CarbonylContact C-O 3.59Å; Q62-P348 WeakPolarHBondContact CA-O 3.41Å; Q62-K364 PolarHBondContact N-O 2.85Å; Q62-S365 WeakPolarHBondContact O-CA 3.1Å; Q62-L366 PolarHBondContact O-N 3.47Å
63	L	98.3	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.3	163	-61.2	-175.9	0	0	0	109.3	V60 N65 T235 H347 P348 L350 L366 V371	V60-L63 HydrophobicContact CB-CD2 4.47Å; V60-L63 HydrophobicContact CG1-CD2 4.13Å; L63-N65 PolarHBondContact O-N 2.86Å; L63-T235 WeakPolarHBondContact CD1-OG1 3.32Å; L63-H347 WeakPolarHBondContact O-CB 3.39Å; L63-P348 HydrophobicContact CB-CG 4.09Å; L63-P348 HydrophobicContact CD1-CG 4.49Å; L63-P348 PolarHBondContact N-O 3.15Å; L63-P348 WeakPolarHBondContact O-CD 3.23Å; L63-L350 HydrophobicContact CD1-CB 4.06Å; L63-L350 HydrophobicContact CD1-CD1 4.35Å; L63-L350 HydrophobicContact CD2-CB 3.98Å; L63-L350 HydrophobicContact CD2-CD1 4.46Å; L63-L350 HydrophobicContact CG-CB 4.09Å; L63-L366 CarbonylContact C-O 3.58Å; L63-L366 VanDerWaalsContact CA-O 3.26Å; L63-L366 WeakPolarHBondContact CA-O 3.2Å; L63-L366 HydrophobicContact CD2-CB 3.78Å; L63-L366 HydrophobicContact CD2-CD2 4.33Å; L63-L366 HydrophobicContact CD2-CG 4.44Å; L63-V371 HydrophobicContact CD1-CG2 4.34Å
64	T	98.1	Very high	97.4	Very high	33 Å²	33	18.6 Å²	18.6	20%	0.202	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.1	162.3	-59.6	0	0	0	0	107.4	L366 E367 S368	T64-L366 PolarHBondContact N-O 3.42Å; T64-E367 WeakPolarHBondContact CB-OE2 3.28Å; T64-E367 WeakPolarHBondContact CG2-OE2 3.41Å; T64-S368 PolarHBondContact O-N 3.25Å
65	N	98.1	Very high	97.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.011	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-84.8	170.9	-177.2	63.8	-35.6	0	0	0	111.6	L63 T69 N74 D237 H238 N341 M346 P348 S368	L63-N65 PolarHBondContact O-N 2.86Å; N65-T69 WeakPolarHBondContact ND2-CB 3.32Å; N65-T69 VanDerWaalsContact ND2-CG2 3.33Å; N65-T69 WeakPolarHBondContact ND2-CG2 3.36Å; N65-N74 VanDerWaalsContact CB-OD1 3.32Å; N65-N74 WeakPolarHBondContact CB-OD1 3.35Å; N65-D237 WeakPolarHBondContact CB-O 3.08Å; N65-D237 PolarHBondContact ND2-O 2.97Å; N65-H238 WeakPolarHBondContact ND2-CB 3.36Å; N65-N341 WeakPolarHBondContact O-CB 3.29Å; N65-N341 PolarHBondContact O-ND2 3Å; N65-M346 PolarHBondContact ND2-O 2.83Å; N65-M346 VanDerWaalsContact ND2-O 3.08Å; N65-M346 PolarHBondContact OD1-O 3.25Å; N65-P348 HydrophobicContact CB-CG 4.44Å; N65-S368 WeakPolarHBondContact CA-OG 3.14Å
66	V	98.6	Very high	97.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.012	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-82.4	151.5	-177.1	-53.3	0	0	0	0	111	I68 P73 N74 S77 Y83 V369	V66-I68 CarbonylContact O-C 3.54Å; V66-I68 VanDerWaalsContact O-C 3.24Å; V66-I68 VanDerWaalsContact O-O 3.11Å; V66-P73 HydrophobicContact CG2-CB 4.5Å; V66-N74 VanDerWaalsContact CG2-OD1 3.23Å; V66-N74 WeakPolarHBondContact CG2-OD1 3.49Å; V66-N74 PolarHBondContact N-OD1 2.84Å; V66-N74 PolarHBondContact O-ND2 2.97Å; V66-N74 PolarHBondContact O-OD1 2.96Å; V66-S77 WeakPolarHBondContact CG2-OG 3.29Å; V66-Y83 HydrophobicContact CB-CD1 4.28Å; V66-Y83 HydrophobicContact CG1-CD1 3.71Å; V66-Y83 HydrophobicContact CG1-CE1 4.23Å; V66-V369 HydrophobicContact CG1-CG1 3.78Å
67	F	98.6	Very high	98.1	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.05	C	C	.	.	S	Bend	trans	-84.8	138.5	171	-178	-94.9	0	0	0	111	V268 L303 Y305 L315 I317 N341	F67-V268 HydrophobicContact CE2-CG2 4.24Å; F67-V268 HydrophobicContact CZ-CG1 4.38Å; F67-V268 HydrophobicContact CZ-CG2 4.15Å; F67-L303 HydrophobicContact CB-CB 4.28Å; F67-L303 HydrophobicContact CB-CD2 3.93Å; F67-L303 HydrophobicContact CD1-CB 3.98Å; F67-L303 HydrophobicContact CD1-CD1 4.15Å; F67-L303 HydrophobicContact CD1-CD2 4.26Å; F67-L303 HydrophobicContact CD1-CG 4.36Å; F67-L303 HydrophobicContact CD2-CD2 3.91Å; F67-L303 HydrophobicContact CE1-CD1 4.04Å; F67-L303 HydrophobicContact CE2-CD2 4.47Å; F67-L303 HydrophobicContact CG-CB 4.22Å; F67-L303 HydrophobicContact CG-CD1 4.42Å; F67-L303 HydrophobicContact CG-CD2 3.77Å; F67-L303 HydrophobicContact CG-CG 4.36Å; F67-L303 HydrophobicContact CZ-CD1 4.22Å; F67-Y305 HydrophobicContact CD1-CD1 4.34Å; F67-Y305 AromaticContact CD1-CD2 3.9Å; F67-Y305 HydrophobicContact CD1-CD2 3.9Å; F67-Y305 AromaticContact CD1-CG 3.75Å; F67-Y305 HydrophobicContact CD1-CG 3.75Å; F67-Y305 HydrophobicContact CE1-CD1 4.06Å; F67-Y305 HydrophobicContact CE1-CD2 4.34Å; F67-Y305 AromaticContact CE1-CG 3.95Å; F67-Y305 HydrophobicContact CE1-CG 3.95Å; F67-Y305 WeakPolarHBondContact O-CD2 3.24Å; F67-L315 HydrophobicContact CE1-CD2 3.85Å; F67-L315 HydrophobicContact CZ-CD2 4.06Å; F67-I317 HydrophobicContact CE1-CD1 4.32Å; F67-I317 HydrophobicContact CE2-CD1 3.96Å; F67-I317 HydrophobicContact CZ-CD1 3.43Å; F67-I317 VanDerWaalsContact CZ-CD1 3.43Å; F67-I317 HydrophobicContact CZ-CG1 3.99Å; F67-N341 HydrophobicContact CB-CB 4.29Å
68	I	97.5	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	S	Bend	cis	-74.8	152.3	-8	61.5	178.8	0	0	0	111.1	V66 K70 N74 L90 A91 V268 Y305	V66-I68 CarbonylContact O-C 3.54Å; V66-I68 VanDerWaalsContact O-C 3.24Å; V66-I68 VanDerWaalsContact O-O 3.11Å; I68-K70 HydrophobicContact CB-CG 4.43Å; I68-K70 HydrophobicContact CD1-CB 4.11Å; I68-K70 HydrophobicContact CD1-CG 3.36Å; I68-K70 HydrophobicContact CG1-CB 4Å; I68-K70 HydrophobicContact CG1-CG 3.64Å; I68-K70 PolarHBondContact O-N 3.21Å; I68-N74 PolarHBondContact O-ND2 3.5Å; I68-L90 WeakPolarHBondContact CG1-O 3.45Å; I68-A91 HydrophobicContact CD1-CB 3.62Å; I68-V268 HydrophobicContact CG2-CB 4.19Å; I68-V268 HydrophobicContact CG2-CG1 4.02Å; I68-V268 HydrophobicContact CG2-CG2 4.09Å; I68-Y305 HydrophobicContact CG2-CE2 4.43Å
69	T	98.3	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.			trans	-79.5	55.7	-177.5	68.8	0	0	0	0	112	N65 N74 H238 H337 G338 Y339 N341 M346	N65-T69 WeakPolarHBondContact ND2-CB 3.32Å; N65-T69 VanDerWaalsContact ND2-CG2 3.33Å; N65-T69 WeakPolarHBondContact ND2-CG2 3.36Å; T69-N74 WeakPolarHBondContact CA-ND2 3.34Å; T69-H238 PolarHBondContact O-CD2 2.88Å; T69-H337 PolarHBondContact O-ND1 2.93Å; T69-G338 WeakPolarHBondContact O-CA 3.39Å; T69-G338 PolarHBondContact O-N 3.2Å; T69-G338 WeakPolarHBondContact OG1-CA 3.28Å; T69-G338 PolarHBondContact OG1-N 3.25Å; T69-Y339 PolarHBondContact OG1-N 3.04Å; T69-N341 HydrophobicContact CG2-CB 3.56Å; T69-M346 HydrophobicContact CG2-CB 3.86Å; T69-M346 HydrophobicContact CG2-CG 4.25Å; T69-M346 PolarHBondContact OG1-SD 3.38Å
70	K	98.1	Very high	98.4	Very high	9 Å²	9	9.8 Å²	9.8	4%	0.039	5%	0.05	C	C	.	.			trans	-107.3	160.3	176.2	-67.2	-63.7	-165	-177.1	0	111.1	I68 P73 N74 T266 D336 H337	I68-K70 HydrophobicContact CB-CG 4.43Å; I68-K70 HydrophobicContact CD1-CB 4.11Å; I68-K70 HydrophobicContact CD1-CG 3.36Å; I68-K70 HydrophobicContact CG1-CB 4Å; I68-K70 HydrophobicContact CG1-CG 3.64Å; I68-K70 PolarHBondContact O-N 3.21Å; K70-P73 HydrophobicContact CB-CG 4.38Å; K70-P73 WeakPolarHBondContact O-CD 3.19Å; K70-N74 PolarHBondContact N-ND2 2.89Å; K70-N74 WeakPolarHBondContact O-CB 3.4Å; K70-N74 PolarHBondContact O-N 2.82Å; K70-N74 PolarHBondContact O-ND2 2.02Å; K70-T266 WeakPolarHBondContact CE-O 3.46Å; K70-T266 PolarHBondContact NZ-O 3.1Å; K70-D336 IonicContact NZ-OD1 3.28Å; K70-D336 PolarHBondContact NZ-OD1 3.07Å; K70-H337 VanDerWaalsContact CE-O 3.23Å; K70-H337 WeakPolarHBondContact CE-O 3.34Å; K70-H337 PolarHBondContact NZ-O 2.83Å
71	T	97.9	Very high	98.4	Very high	17 Å²	17	9.8 Å²	9.8	10%	0.104	5%	0.05	C	C	.	.	H	α-helix	trans	-56.2	-58.6	-171.6	-46.8	0	0	0	0	114.6	D35 N74 H75 Y184 D237 H238	D35-T71 WeakPolarHBondContact OD2-CG2 3.48Å; T71-N74 PolarHBondContact O-N 3.14Å; T71-H75 WeakPolarHBondContact CG2-ND1 3.17Å; T71-H75 WeakPolarHBondContact O-CB 3.48Å; T71-H75 PolarHBondContact O-N 3.08Å; T71-H75 PolarHBondContact O-ND1 3.38Å; T71-Y184 HydrophobicContact CG2-CE2 4.45Å; T71-D237 WeakPolarHBondContact CA-OD2 3.49Å; T71-D237 WeakPolarHBondContact CG2-OD2 3.37Å; T71-H238 PolarHBondContact OG1-NE2 2.93Å
72	F	98	Very high	98.4	Very high	24 Å²	24	8.8 Å²	8.8	11%	0.105	5%	0.045	C	C	.	.	H	α-helix	trans	-63.3	-48.9	-173.6	-88.1	50.7	0	0	0	112.9	N74 Y76 I89 F103 L105 D108 W114 P137	F72-N74 PolarHBondContact O-N 3.45Å; F72-Y76 WeakPolarHBondContact O-CB 3.5Å; F72-Y76 PolarHBondContact O-N 2.87Å; F72-Y76 VanDerWaalsContact O-N 3.09Å; F72-I89 HydrophobicContact CB-CG2 3.83Å; F72-F103 AromaticContact CD2-CE1 3.97Å; F72-F103 HydrophobicContact CD2-CE1 3.97Å; F72-F103 AromaticContact CD2-CZ 3.57Å; F72-F103 HydrophobicContact CD2-CZ 3.57Å; F72-F103 HydrophobicContact CE2-CE1 4.27Å; F72-F103 AromaticContact CE2-CZ 3.71Å; F72-F103 HydrophobicContact CE2-CZ 3.71Å; F72-L105 HydrophobicContact CD1-CD2 3.66Å; F72-L105 HydrophobicContact CE1-CD2 3.44Å; F72-L105 VanDerWaalsContact CE1-CD2 3.44Å; F72-L105 HydrophobicContact CE2-CD2 4.31Å; F72-L105 HydrophobicContact CG-CD2 4.21Å; F72-L105 HydrophobicContact CZ-CD2 3.79Å; F72-D108 HydrophobicContact CE2-CB 3.92Å; F72-D108 VanDerWaalsContact CE2-OD2 3.26Å; F72-D108 WeakPolarHBondContact CE2-OD2 3.38Å; F72-D108 WeakPolarHBondContact CZ-OD2 3.31Å; F72-W114 AromaticContact CD2-CH2 3.45Å; F72-W114 HydrophobicContact CD2-CH2 3.45Å; F72-W114 VanDerWaalsContact CD2-CH2 3.45Å; F72-W114 AromaticContact CD2-CZ2 3.83Å; F72-W114 HydrophobicContact CD2-CZ2 3.83Å; F72-W114 AromaticContact CE2-CH2 3.76Å; F72-W114 HydrophobicContact CE2-CH2 3.76Å; F72-W114 AromaticContact CE2-CZ2 3.8Å; F72-W114 HydrophobicContact CE2-CZ2 3.8Å; F72-W114 HydrophobicContact CG-CH2 4.44Å; F72-P137 HydrophobicContact CD1-CB 4.23Å; F72-P137 HydrophobicContact CD1-CG 4.35Å; F72-P137 HydrophobicContact CD2-CB 4.45Å; F72-P137 HydrophobicContact CE1-CB 4.35Å; F72-P137 HydrophobicContact CE1-CG 4.4Å; F72-P137 HydrophobicContact CG-CB 4.28Å
73	P	98.4	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.3	-45.9	176	-26.6	34.3	0	0	0	113.5	V66 K70 Y76 S77 A84 H87 I89	V66-P73 HydrophobicContact CG2-CB 4.5Å; K70-P73 HydrophobicContact CB-CG 4.38Å; K70-P73 WeakPolarHBondContact O-CD 3.19Å; P73-Y76 PolarHBondContact O-N 2.76Å; P73-S77 WeakPolarHBondContact O-CB 3.37Å; P73-S77 PolarHBondContact O-N 2.99Å; P73-S77 PolarHBondContact O-OG 3.17Å; P73-A84 HydrophobicContact CB-CB 4.28Å; P73-H87 PolarHBondContact O-NE2 3.04Å; P73-I89 VanDerWaalsContact CB-O 3.32Å; P73-I89 WeakPolarHBondContact CB-O 3.27Å; P73-I89 HydrophobicContact CG-CG2 4.46Å; P73-I89 WeakPolarHBondContact CG-O 3.33Å
74	N	98.8	Very high	98.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-74.7	-42.1	-174.1	-78.2	-80.6	0	0	0	112.9	N65 V66 I68 T69 K70 T71 F72 Y76 S77 L78 D237	N65-N74 VanDerWaalsContact CB-OD1 3.32Å; N65-N74 WeakPolarHBondContact CB-OD1 3.35Å; V66-N74 VanDerWaalsContact CG2-OD1 3.23Å; V66-N74 WeakPolarHBondContact CG2-OD1 3.49Å; V66-N74 PolarHBondContact N-OD1 2.84Å; V66-N74 PolarHBondContact O-ND2 2.97Å; V66-N74 PolarHBondContact O-OD1 2.96Å; I68-N74 PolarHBondContact O-ND2 3.5Å; T69-N74 WeakPolarHBondContact CA-ND2 3.34Å; K70-N74 PolarHBondContact N-ND2 2.89Å; K70-N74 WeakPolarHBondContact O-CB 3.4Å; K70-N74 PolarHBondContact O-N 2.82Å; K70-N74 PolarHBondContact O-ND2 2.02Å; T71-N74 PolarHBondContact O-N 3.14Å; F72-N74 PolarHBondContact O-N 3.45Å; N74-Y76 VanDerWaalsContact C-N 3.26Å; N74-Y76 PolarHBondContact O-N 3.08Å; N74-S77 WeakPolarHBondContact O-CB 3.43Å; N74-S77 PolarHBondContact O-N 2.76Å; N74-L78 WeakPolarHBondContact O-CG 3.22Å; N74-L78 PolarHBondContact O-N 3.38Å; N74-D237 HydrophobicContact CB-CB 3.82Å; N74-D237 WeakPolarHBondContact CB-O 3.3Å
75	H	98.8	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.8	-37.4	172.9	-81.3	93.8	0	0	0	112.1	S33 T71 W136 P137 Y184 D237	S33-H75 VanDerWaalsContact CB-NE2 3.31Å; S33-H75 WeakPolarHBondContact CB-NE2 3.29Å; S33-H75 PolarHBondContact OG-NE2 3.48Å; T71-H75 WeakPolarHBondContact CG2-ND1 3.17Å; T71-H75 WeakPolarHBondContact O-CB 3.48Å; T71-H75 PolarHBondContact O-N 3.08Å; T71-H75 PolarHBondContact O-ND1 3.38Å; H75-W136 HydrophobicContact CB-CZ2 4.31Å; H75-W136 AromaticContact CD2-CE2 3.77Å; H75-W136 AromaticContact CD2-CH2 3.86Å; H75-W136 AromaticContact CD2-CZ2 3.64Å; H75-W136 PolarHBondContact O-NE1 2.88Å; H75-P137 HydrophobicContact CB-CB 4.03Å; H75-P137 HydrophobicContact CB-CG 3.65Å; H75-Y184 AromaticContact CE1-CD2 3.87Å; H75-Y184 AromaticContact CE1-CE2 3.68Å; H75-Y184 AromaticContact NE2-CD2 3.42Å; H75-Y184 WeakPolarHBondContact NE2-CD2 3.33Å; H75-Y184 AromaticContact NE2-CE2 3.73Å; H75-D237 WeakPolarHBondContact CE1-CB 3.14Å; H75-D237 IonicContact CE1-OD1 3.22Å; H75-D237 IonicContact CE1-OD2 3.59Å; H75-D237 PolarHBondContact CE1-OD2 3.23Å; H75-D237 VanDerWaalsContact ND1-CB 3.35Å; H75-D237 WeakPolarHBondContact ND1-CB 3.5Å; H75-D237 IonicContact ND1-OD2 3.59Å; H75-D237 PolarHBondContact ND1-OD2 3.44Å
76	Y	98.6	Very high	98.5	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-74.1	-33.3	177.1	-150.5	-120.5	0	0	0	112.3	F72 P73 N74 V79 T80 H87 I89 W114 A117 P119 W121	F72-Y76 WeakPolarHBondContact O-CB 3.5Å; F72-Y76 PolarHBondContact O-N 2.87Å; F72-Y76 VanDerWaalsContact O-N 3.09Å; P73-Y76 PolarHBondContact O-N 2.76Å; N74-Y76 VanDerWaalsContact C-N 3.26Å; N74-Y76 PolarHBondContact O-N 3.08Å; Y76-V79 HydrophobicContact CD2-CG2 4.11Å; Y76-V79 WeakPolarHBondContact O-CG2 3.13Å; Y76-V79 PolarHBondContact O-N 2.75Å; Y76-T80 HydrophobicContact CD1-CG2 4.03Å; Y76-T80 HydrophobicContact CE1-CG2 3.91Å; Y76-T80 HydrophobicContact CG-CG2 4.41Å; Y76-T80 WeakPolarHBondContact O-CB 3.43Å; Y76-T80 WeakPolarHBondContact O-CG2 3.45Å; Y76-T80 PolarHBondContact O-N 2.91Å; Y76-T80 VanDerWaalsContact O-N 3.11Å; Y76-T80 PolarHBondContact O-OG1 3.01Å; Y76-H87 HydrophobicContact CD1-CB 3.81Å; Y76-H87 AromaticContact CD1-CG 3.75Å; Y76-H87 AromaticContact CD1-ND1 3.64Å; Y76-H87 HydrophobicContact CE1-CB 4.09Å; Y76-I89 HydrophobicContact CD1-CG1 4.03Å; Y76-I89 HydrophobicContact CE1-CG1 4.43Å; Y76-I89 HydrophobicContact CG-CG1 4.48Å; Y76-W114 HydrophobicContact CD1-CE3 4.22Å; Y76-W114 HydrophobicContact CD1-CZ3 4.45Å; Y76-W114 AromaticContact CD2-CE3 3.69Å; Y76-W114 HydrophobicContact CD2-CE3 3.69Å; Y76-W114 AromaticContact CD2-CZ3 3.58Å; Y76-W114 HydrophobicContact CD2-CZ3 3.58Å; Y76-W114 HydrophobicContact CE1-CE3 4.05Å; Y76-W114 AromaticContact CE2-CE3 3.53Å; Y76-W114 HydrophobicContact CE2-CE3 3.53Å; Y76-W114 AromaticContact CE2-CZ3 3.91Å; Y76-W114 HydrophobicContact CE2-CZ3 3.91Å; Y76-W114 HydrophobicContact CG-CE3 4.05Å; Y76-W114 AromaticContact CG-CZ3 3.89Å; Y76-W114 HydrophobicContact CG-CZ3 3.89Å; Y76-W114 AromaticContact CZ-CE3 3.72Å; Y76-W114 PolarHBondContact OH-O 3.04Å; Y76-A117 HydrophobicContact CE1-CB 3.99Å; Y76-A117 PolarHBondContact OH-O 3.18Å; Y76-P119 HydrophobicContact CE2-CB 4.09Å; Y76-P119 HydrophobicContact CE2-CG 4.31Å; Y76-W121 HydrophobicContact CD2-CH2 4.48Å; Y76-W121 HydrophobicContact CE2-CH2 4.21Å; Y76-W121 HydrophobicContact CE2-CZ2 4.35Å
77	S	98.9	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.4	-43.7	172	-64.1	0	0	0	0	112	V66 P73 N74 V79 T80 G81 L82 H87	V66-S77 WeakPolarHBondContact CG2-OG 3.29Å; P73-S77 WeakPolarHBondContact O-CB 3.37Å; P73-S77 PolarHBondContact O-N 2.99Å; P73-S77 PolarHBondContact O-OG 3.17Å; N74-S77 WeakPolarHBondContact O-CB 3.43Å; N74-S77 PolarHBondContact O-N 2.76Å; S77-V79 PolarHBondContact O-N 3.06Å; S77-T80 PolarHBondContact O-N 2.98Å; S77-G81 WeakPolarHBondContact O-CA 3.41Å; S77-G81 PolarHBondContact O-N 3Å; S77-L82 VanDerWaalsContact CB-O 3.31Å; S77-L82 WeakPolarHBondContact CB-O 3.49Å; S77-L82 PolarHBondContact OG-O 3.38Å; S77-H87 PolarHBondContact OG-NE2 2.82Å
78	L	98.9	Very high	98.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-56.6	-36.5	178.2	-73.5	172.2	0	0	0	112.7	N74 W136 T235 V371 M375	N74-L78 WeakPolarHBondContact O-CG 3.22Å; N74-L78 PolarHBondContact O-N 3.38Å; L78-W136 HydrophobicContact CB-CZ2 4.09Å; L78-W136 HydrophobicContact CD1-CH2 4.14Å; L78-W136 HydrophobicContact CD1-CZ2 4.03Å; L78-T235 HydrophobicContact CD1-CG2 4.09Å; L78-V371 HydrophobicContact CD2-CB 4.08Å; L78-V371 HydrophobicContact CD2-CG1 4.32Å; L78-V371 HydrophobicContact CD2-CG2 4.03Å; L78-M375 WeakPolarHBondContact O-CE 3.26Å
79	V	98.9	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-99	1.3	-176.3	-60.3	0	0	0	0	114.2	L31 Y76 S77 P119 L120 W121 W136 Y372	L31-V79 HydrophobicContact CD2-CG1 4.03Å; Y76-V79 HydrophobicContact CD2-CG2 4.11Å; Y76-V79 WeakPolarHBondContact O-CG2 3.13Å; Y76-V79 PolarHBondContact O-N 2.75Å; S77-V79 PolarHBondContact O-N 3.06Å; V79-P119 HydrophobicContact CB-CB 4.46Å; V79-P119 HydrophobicContact CG2-CB 3.96Å; V79-P119 CarbonylContact O-C 3.6Å; V79-P119 WeakPolarHBondContact O-CA 3.31Å; V79-L120 PolarHBondContact O-N 2.72Å; V79-W121 HydrophobicContact CB-CE3 4.38Å; V79-W121 HydrophobicContact CB-CZ3 3.89Å; V79-W121 HydrophobicContact CG1-CE3 4.46Å; V79-W121 HydrophobicContact CG1-CZ3 3.95Å; V79-W121 HydrophobicContact CG2-CE3 4.44Å; V79-W121 HydrophobicContact CG2-CH2 3.87Å; V79-W121 HydrophobicContact CG2-CZ3 3.57Å; V79-W136 HydrophobicContact CG1-CZ2 3.78Å; V79-Y372 VanDerWaalsContact C-CD2 3.41Å; V79-Y372 WeakPolarHBondContact O-CD2 3.2Å; V79-Y372 VanDerWaalsContact O-CE2 3.26Å; V79-Y372 WeakPolarHBondContact O-CE2 3.29Å
80	T	98.9	Very high	98.4	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.018	5%	0.047	C	C	.	.	H	α-helix	trans	-125.7	-20.5	177.2	58.8	0	0	0	0	113.6	Y76 S77 L82 A117 P119 Y372 N386	Y76-T80 HydrophobicContact CD1-CG2 4.03Å; Y76-T80 HydrophobicContact CE1-CG2 3.91Å; Y76-T80 HydrophobicContact CG-CG2 4.41Å; Y76-T80 WeakPolarHBondContact O-CB 3.43Å; Y76-T80 WeakPolarHBondContact O-CG2 3.45Å; Y76-T80 PolarHBondContact O-N 2.91Å; Y76-T80 VanDerWaalsContact O-N 3.11Å; Y76-T80 PolarHBondContact O-OG1 3.01Å; S77-T80 PolarHBondContact O-N 2.98Å; T80-L82 PolarHBondContact O-N 2.82Å; T80-L82 PolarHBondContact OG1-N 3Å; T80-A117 HydrophobicContact CG2-CB 3.8Å; T80-P119 HydrophobicContact CG2-CB 4.24Å; T80-Y372 WeakPolarHBondContact O-CD1 3.3Å; T80-N386 WeakPolarHBondContact O-CB 3.5Å
81	G	98.7	Very high	98.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.			trans	68.8	15.8	-173.9	0	0	0	0	0	113.4	S77 V369 N387 G388	S77-G81 WeakPolarHBondContact O-CA 3.41Å; S77-G81 PolarHBondContact O-N 3Å; G81-V369 WeakPolarHBondContact CA-O 3.46Å; G81-N387 WeakPolarHBondContact O-CA 3.29Å; G81-N387 WeakPolarHBondContact O-CB 3.08Å; G81-N387 PolarHBondContact O-N 3.12Å; G81-G388 PolarHBondContact O-N 3.13Å
82	L	98.9	Very high	98	Very high	23 Å²	23	8.6 Å²	8.6	12%	0.12	5%	0.047	C	C	.	.			trans	-105.8	151.5	-175.2	-70.8	170.9	0	0	0	110.8	S77 T80 H87 A117 N386 N387	S77-L82 VanDerWaalsContact CB-O 3.31Å; S77-L82 WeakPolarHBondContact CB-O 3.49Å; S77-L82 PolarHBondContact OG-O 3.38Å; T80-L82 PolarHBondContact O-N 2.82Å; T80-L82 PolarHBondContact OG1-N 3Å; L82-H87 HydrophobicContact CB-CB 4.01Å; L82-H87 HydrophobicContact CD1-CB 4.1Å; L82-H87 PolarHBondContact O-CD2 2.75Å; L82-H87 VanDerWaalsContact O-CD2 3.31Å; L82-A117 HydrophobicContact CD1-CB 3.45Å; L82-A117 VanDerWaalsContact CD1-CB 3.45Å; L82-N386 HydrophobicContact CD2-CB 4.45Å; L82-N387 VanDerWaalsContact CA-OD1 3.31Å; L82-N387 WeakPolarHBondContact CA-OD1 3.07Å; L82-N387 WeakPolarHBondContact CD2-OD1 3.47Å
83	Y	98.8	Very high	97.9	Very high	37 Å²	37	9.2 Å²	9.2	15%	0.145	6%	0.055	C	C	.	.			trans	-71.4	159.6	163.9	-64.9	-62.2	0	0	0	111.5	V66 E85 S86 H87 H304 V369 N387	V66-Y83 HydrophobicContact CB-CD1 4.28Å; V66-Y83 HydrophobicContact CG1-CD1 3.71Å; V66-Y83 HydrophobicContact CG1-CE1 4.23Å; Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 2.91Å; Y83-S86 WeakPolarHBondContact O-CB 3.32Å; Y83-S86 PolarHBondContact O-N 2.79Å; Y83-H87 VanDerWaalsContact C-CD2 3.48Å; Y83-H87 PolarHBondContact O-CD2 2.92Å; Y83-H87 PolarHBondContact O-N 3.02Å; Y83-H87 VanDerWaalsContact O-N 3.08Å; Y83-H304 HydrophobicContact CD1-CB 3.87Å; Y83-H304 HydrophobicContact CD2-CB 3.58Å; Y83-H304 AromaticContact CD2-CD2 3.79Å; Y83-H304 AromaticContact CD2-CG 3.39Å; Y83-H304 AromaticContact CD2-ND1 3.67Å; Y83-H304 HydrophobicContact CE1-CB 4.38Å; Y83-H304 AromaticContact CE1-CD2 3.67Å; Y83-H304 HydrophobicContact CE2-CB 4.09Å; Y83-H304 AromaticContact CE2-CD2 3.32Å; Y83-H304 WeakPolarHBondContact CE2-CD2 3.23Å; Y83-H304 AromaticContact CE2-CE1 3.61Å; Y83-H304 AromaticContact CE2-CG 3.41Å; Y83-H304 VanDerWaalsContact CE2-CG 3.41Å; Y83-H304 AromaticContact CE2-ND1 3.59Å; Y83-H304 AromaticContact CE2-NE2 3.45Å; Y83-H304 WeakPolarHBondContact CE2-NE2 3.45Å; Y83-H304 HydrophobicContact CG-CB 3.45Å; Y83-H304 VanDerWaalsContact CG-CB 3.45Å; Y83-H304 AromaticContact CG-CG 3.75Å; Y83-H304 AromaticContact CZ-CD2 3.25Å; Y83-H304 AromaticContact CZ-CG 3.8Å; Y83-H304 AromaticContact CZ-NE2 3.53Å; Y83-H304 PolarHBondContact OH-NE2 3.13Å; Y83-V369 HydrophobicContact CD1-CG1 4.09Å; Y83-V369 HydrophobicContact CE1-CG1 4.06Å; Y83-V369 HydrophobicContact CE1-CG2 4.41Å; Y83-N387 HydrophobicContact CD2-CB 3.71Å; Y83-N387 VanDerWaalsContact CD2-CG 3.48Å; Y83-N387 WeakPolarHBondContact CD2-OD1 3.48Å; Y83-N387 HydrophobicContact CE2-CB 3.64Å; Y83-N387 PolarHBondContact N-OD1 2.92Å
84	A	98.4	Very high	97.9	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-53	-42.1	-179.9	0	0	0	0	0	113.2	P73 S86 H87 G88 L90 Y305	P73-A84 HydrophobicContact CB-CB 4.28Å; A84-S86 PolarHBondContact O-N 2.72Å; A84-H87 WeakPolarHBondContact CA-NE2 3.27Å; A84-G88 PolarHBondContact O-N 3.44Å; A84-L90 HydrophobicContact CB-CD2 4.16Å; A84-L90 VanDerWaalsContact O-CD2 3.3Å; A84-L90 WeakPolarHBondContact O-CD2 3.36Å; A84-Y305 HydrophobicContact CB-CD2 4.27Å; A84-Y305 HydrophobicContact CB-CE2 4.33Å
85	E	98.1	Very high	97.9	Very high	17 Å²	17	11.4 Å²	11.4	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-27.7	177.9	72.2	179.7	-163.6	0	0	113.5	Y83 H304 Y305 R306 N307 N308 I311	Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 2.91Å; E85-H304 VanDerWaalsContact CB-O 3.3Å; E85-H304 WeakPolarHBondContact CB-O 3.35Å; E85-H304 WeakPolarHBondContact CG-O 3.4Å; E85-Y305 PolarHBondContact OE2-N 2.64Å; E85-R306 PolarHBondContact OE2-N 3.22Å; E85-N307 HydrophobicContact CG-CB 4.42Å; E85-N307 PolarHBondContact OE1-ND2 3.14Å; E85-N307 WeakPolarHBondContact OE2-CB 3.39Å; E85-N307 PolarHBondContact OE2-N 3.42Å; E85-N307 PolarHBondContact OE2-ND2 2.67Å; E85-N308 HydrophobicContact CB-CB 4.2Å; E85-N308 WeakPolarHBondContact O-CB 3.48Å; E85-N308 PolarHBondContact O-ND2 3.05Å; E85-I311 HydrophobicContact CB-CD1 4.22Å
86	S	98.5	Very high	97.8	Very high	48 Å²	48	11.8 Å²	11.8	34%	0.336	7%	0.066	S	C	.	.	H	α-helix	trans	-87.1	-44.7	-178.9	-63.7	0	0	0	0	112.2	Y83 A84	Y83-S86 WeakPolarHBondContact O-CB 3.32Å; Y83-S86 PolarHBondContact O-N 2.79Å; A84-S86 PolarHBondContact O-N 2.72Å
87	H	98.3	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-84.1	-9.9	-179.9	67.2	65.8	0	0	0	114.1	P73 Y76 S77 L82 Y83 A84 I89 A117	P73-H87 PolarHBondContact O-NE2 3.04Å; Y76-H87 HydrophobicContact CD1-CB 3.81Å; Y76-H87 AromaticContact CD1-CG 3.75Å; Y76-H87 AromaticContact CD1-ND1 3.64Å; Y76-H87 HydrophobicContact CE1-CB 4.09Å; S77-H87 PolarHBondContact OG-NE2 2.82Å; L82-H87 HydrophobicContact CB-CB 4.01Å; L82-H87 HydrophobicContact CD1-CB 4.1Å; L82-H87 PolarHBondContact O-CD2 2.75Å; L82-H87 VanDerWaalsContact O-CD2 3.31Å; Y83-H87 VanDerWaalsContact C-CD2 3.48Å; Y83-H87 PolarHBondContact O-CD2 2.92Å; Y83-H87 PolarHBondContact O-N 3.02Å; Y83-H87 VanDerWaalsContact O-N 3.08Å; A84-H87 WeakPolarHBondContact CA-NE2 3.27Å; H87-I89 PolarHBondContact CE1-O 3.21Å; H87-I89 PolarHBondContact ND1-N 3.13Å; H87-I89 VanDerWaalsContact ND1-N 3.18Å; H87-I89 PolarHBondContact O-N 3.46Å; H87-A117 HydrophobicContact CB-CB 3.55Å
88	G	97.6	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	80.9	6.3	168.1	0	0	0	0	0	116.2	A84 R310	A84-G88 PolarHBondContact O-N 3.44Å; G88-R310 PolarHBondContact O-NH1 3.46Å
89	I	98.1	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.			trans	-104.4	97	173.2	-52.4	-62.4	0	0	0	106.9	F72 P73 Y76 H87 M94 W113 W114	F72-I89 HydrophobicContact CB-CG2 3.83Å; P73-I89 VanDerWaalsContact CB-O 3.32Å; P73-I89 WeakPolarHBondContact CB-O 3.27Å; P73-I89 HydrophobicContact CG-CG2 4.46Å; P73-I89 WeakPolarHBondContact CG-O 3.33Å; Y76-I89 HydrophobicContact CD1-CG1 4.03Å; Y76-I89 HydrophobicContact CE1-CG1 4.43Å; Y76-I89 HydrophobicContact CG-CG1 4.48Å; H87-I89 PolarHBondContact CE1-O 3.21Å; H87-I89 PolarHBondContact ND1-N 3.13Å; H87-I89 VanDerWaalsContact ND1-N 3.18Å; H87-I89 PolarHBondContact O-N 3.46Å; I89-M94 HydrophobicContact CD1-CE 4.15Å; I89-M94 HydrophobicContact CG2-CE 4.34Å; I89-W113 HydrophobicContact CD1-CB 3.98Å; I89-W113 WeakPolarHBondContact CD1-O 3.35Å; I89-W114 HydrophobicContact CD1-CD2 3.72Å; I89-W114 HydrophobicContact CD1-CE3 3.67Å; I89-W114 HydrophobicContact CD1-CG 4.29Å; I89-W114 HydrophobicContact CD1-CH2 4.38Å; I89-W114 HydrophobicContact CD1-CZ2 4.39Å; I89-W114 HydrophobicContact CD1-CZ3 4.01Å; I89-W114 HydrophobicContact CG1-CD2 4.22Å; I89-W114 HydrophobicContact CG1-CE3 3.63Å; I89-W114 HydrophobicContact CG1-CH2 4.45Å; I89-W114 HydrophobicContact CG1-CZ3 3.76Å; I89-W114 HydrophobicContact CG2-CZ3 4.46Å
90	L	97.1	Very high	97.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.155	C	C	.	.			trans	-97.8	-25.8	-165.2	-59.1	175.1	0	0	0	114.1	I68 A84 M94 Y305 N308 R310 I311	I68-L90 WeakPolarHBondContact CG1-O 3.45Å; A84-L90 HydrophobicContact CB-CD2 4.16Å; A84-L90 VanDerWaalsContact O-CD2 3.3Å; A84-L90 WeakPolarHBondContact O-CD2 3.36Å; L90-M94 HydrophobicContact CB-CG 4.33Å; L90-M94 HydrophobicContact CB-SD 3.69Å; L90-M94 HydrophobicContact CG-SD 4.11Å; L90-M94 PolarHBondContact N-SD 3Å; L90-Y305 HydrophobicContact CB-CE2 3.95Å; L90-Y305 WeakPolarHBondContact CB-OH 3.44Å; L90-Y305 HydrophobicContact CD2-CD2 4.47Å; L90-Y305 HydrophobicContact CD2-CE2 4Å; L90-Y305 WeakPolarHBondContact O-CE2 3.34Å; L90-Y305 PolarHBondContact O-OH 2.97Å; L90-N308 HydrophobicContact CD1-CB 4.49Å; L90-N308 HydrophobicContact CD2-CB 4.32Å; L90-R310 HydrophobicContact CD1-CB 3.42Å; L90-R310 VanDerWaalsContact CD1-CB 3.42Å; L90-R310 WeakPolarHBondContact CD1-O 3.39Å; L90-I311 HydrophobicContact CD1-CB 4.41Å; L90-I311 HydrophobicContact CD1-CG1 3.49Å; L90-I311 VanDerWaalsContact CD1-CG1 3.49Å; L90-I311 HydrophobicContact CD2-CD1 4.28Å; L90-I311 HydrophobicContact CD2-CG1 3.99Å; L90-I311 HydrophobicContact CG-CG1 4.37Å
91	A	95.5	Very high	97.2	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	17%	0.173	C	C	.	.	S	Bend	trans	-166.7	174.7	-173.8	0	0	0	0	0	110.7	I68 S93 M94 D264	I68-A91 HydrophobicContact CD1-CB 3.62Å; A91-S93 VanDerWaalsContact C-N 3.26Å; A91-S93 WeakPolarHBondContact CB-O 3.48Å; A91-M94 HydrophobicContact CB-CG 4.2Å; A91-D264 WeakPolarHBondContact CB-OD2 3.45Å
92	S	92.1	Very high	97.1	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.133	20%	0.196	C	C	.	.	S	Bend	trans	-72.3	-21	173	-56.9	0	0	0	0	112.9	T104	S92-T104 WeakPolarHBondContact O-CA 3.47Å
93	S	96.6	Very high	97	Very high	38 Å²	38	36.5 Å²	36.5	27%	0.266	19%	0.19	S	C	.	.	S	Bend	trans	-130.5	126.4	173	-57.7	0	0	0	0	109.3	A91 F103 V263	A91-S93 VanDerWaalsContact C-N 3.26Å; A91-S93 WeakPolarHBondContact CB-O 3.48Å; S93-F103 WeakPolarHBondContact CA-O 3.37Å; S93-V263 WeakPolarHBondContact CB-O 3.4Å
94	M	97.4	Very high	96.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.7	-179.3	-52.3	-179.1	-79.1	0	0	111.6	I89 L90 A91 H102 F103 W113	I89-M94 HydrophobicContact CD1-CE 4.15Å; I89-M94 HydrophobicContact CG2-CE 4.34Å; L90-M94 HydrophobicContact CB-CG 4.33Å; L90-M94 HydrophobicContact CB-SD 3.69Å; L90-M94 HydrophobicContact CG-SD 4.11Å; L90-M94 PolarHBondContact N-SD 3Å; A91-M94 HydrophobicContact CB-CG 4.2Å; M94-H102 WeakPolarHBondContact O-CA 3.42Å; M94-F103 HydrophobicContact CB-CB 3.95Å; M94-F103 HydrophobicContact CE-CB 3.75Å; M94-F103 HydrophobicContact CE-CD1 3.52Å; M94-F103 HydrophobicContact CE-CD2 3.79Å; M94-F103 HydrophobicContact CE-CE1 4.01Å; M94-F103 HydrophobicContact CE-CE2 4.22Å; M94-F103 HydrophobicContact CE-CG 3.39Å; M94-F103 HydrophobicContact CE-CZ 4.33Å; M94-F103 HydrophobicContact CG-CB 4.47Å; M94-F103 PolarHBondContact N-O 3.03Å; M94-F103 VanDerWaalsContact N-O 3.07Å; M94-F103 PolarHBondContact O-N 3.44Å; M94-W113 HydrophobicContact CB-CZ3 4.27Å; M94-W113 HydrophobicContact CE-CE3 3.95Å; M94-W113 HydrophobicContact CE-CZ3 4.38Å
95	Y	98	Very high	96.3	Very high	41 Å²	41	40.7 Å²	40.7	16%	0.161	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	170.9	176.8	-108.5	0	0	0	109.7	P97 H100 K101 H102 I272 Q312	Y95-P97 HydrophobicContact CE1-CB 4.07Å; Y95-H100 PolarHBondContact OH-ND1 3.31Å; Y95-K101 WeakPolarHBondContact CD2-O 3.46Å; Y95-H102 AromaticContact CD2-CD2 3.98Å; Y95-H102 AromaticContact CD2-CE1 3.31Å; Y95-H102 WeakPolarHBondContact CD2-CE1 3.33Å; Y95-H102 AromaticContact CD2-ND1 3.71Å; Y95-H102 AromaticContact CD2-NE2 3.48Å; Y95-H102 WeakPolarHBondContact CD2-NE2 3.38Å; Y95-H102 AromaticContact CE2-CE1 3.95Å; Y95-H102 AromaticContact CE2-NE2 3.69Å; Y95-I272 HydrophobicContact CD1-CD1 3.59Å; Y95-I272 HydrophobicContact CE1-CD1 4.01Å; Y95-I272 HydrophobicContact CG-CD1 4.35Å; Y95-Q312 PolarHBondContact O-NE2 2.89Å
96	D	97.8	Very high	95.9	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.5	175.1	-174.1	-57.6	0	0	0	109.2	I98 S99 H100 K101 M112 W113 R310	D96-I98 PolarHBondContact O-N 3.44Å; D96-I98 WeakPolarHBondContact OD1-CA 3.26Å; D96-I98 WeakPolarHBondContact OD1-CB 3.26Å; D96-I98 PolarHBondContact OD1-N 3.06Å; D96-S99 WeakPolarHBondContact CB-OG 3.43Å; D96-S99 VanDerWaalsContact CG-OG 3.28Å; D96-S99 PolarHBondContact OD1-N 3.34Å; D96-S99 PolarHBondContact OD1-OG 3.26Å; D96-H100 VanDerWaalsContact O-CA 3.23Å; D96-H100 WeakPolarHBondContact O-CA 3.47Å; D96-H100 PolarHBondContact O-N 3.41Å; D96-K101 PolarHBondContact N-O 3.25Å; D96-M112 HydrophobicContact CB-CE 4.3Å; D96-W113 HydrophobicContact CB-CH2 3.51Å; D96-W113 HydrophobicContact CB-CZ2 4.49Å; D96-W113 HydrophobicContact CB-CZ3 3.7Å; D96-R310 HydrophobicContact CB-CG 4.09Å; D96-R310 IonicContact OD2-CZ 2.96Å; D96-R310 IonicContact OD2-NE 3.93Å; D96-R310 PolarHBondContact OD2-NE 3.3Å; D96-R310 IonicContact OD2-NH2 2.93Å; D96-R310 PolarHBondContact OD2-NH2 3.15Å
97	P	96.3	Very high	95.5	Very high	56 Å²	56	49.5 Å²	49.5	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.3	-174.7	30.2	-35.9	0	0	0	113.8	Y95 H100 V309	Y95-P97 HydrophobicContact CE1-CB 4.07Å; P97-H100 PolarHBondContact O-CE1 3.08Å; P97-H100 PolarHBondContact O-ND1 3.21Å; P97-V309 WeakPolarHBondContact CG-O 3.32Å
98	I	96.1	Very high	95.2	Very high	126 Å²	126	50.9 Å²	50.9	65%	0.646	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-46.6	-179.6	-58.8	176.5	0	0	0	109.8	D96 V309	D96-I98 PolarHBondContact O-N 3.44Å; D96-I98 WeakPolarHBondContact OD1-CA 3.26Å; D96-I98 WeakPolarHBondContact OD1-CB 3.26Å; D96-I98 PolarHBondContact OD1-N 3.06Å; I98-V309 HydrophobicContact CD1-CB 4.39Å; I98-V309 HydrophobicContact CD1-CG1 4.36Å; I98-V309 HydrophobicContact CD1-CG2 4.01Å
99	S	96	Very high	94.9	Very high	40 Å²	40	54 Å²	54	28%	0.28	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.5	179.7	62.8	0	0	0	0	113.8	D96 K101 M112	D96-S99 WeakPolarHBondContact CB-OG 3.43Å; D96-S99 VanDerWaalsContact CG-OG 3.28Å; D96-S99 PolarHBondContact OD1-N 3.34Å; D96-S99 PolarHBondContact OD1-OG 3.26Å; S99-K101 PolarHBondContact O-N 3.21Å; S99-M112 WeakPolarHBondContact OG-CE 3.39Å
100	H	96.3	Very high	94.8	Very high	129 Å²	129	56.2 Å²	56.2	60%	0.597	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	28.1	-172.8	-54	-62.3	0	0	0	113.9	Y95 D96 P97	Y95-H100 PolarHBondContact OH-ND1 3.31Å; D96-H100 VanDerWaalsContact O-CA 3.23Å; D96-H100 WeakPolarHBondContact O-CA 3.47Å; D96-H100 PolarHBondContact O-N 3.41Å; P97-H100 PolarHBondContact O-CE1 3.08Å; P97-H100 PolarHBondContact O-ND1 3.21Å
101	K	96.6	Very high	94.7	Very high	90 Å²	90	58.2 Å²	58.2	39%	0.391	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152.8	178.3	-69.1	-178.9	175.4	178.8	0	111.7	Y95 D96 S99 D110 M112 W113	Y95-K101 WeakPolarHBondContact CD2-O 3.46Å; D96-K101 PolarHBondContact N-O 3.25Å; S99-K101 PolarHBondContact O-N 3.21Å; K101-D110 IonicContact NZ-OD2 3.09Å; K101-D110 PolarHBondContact NZ-OD2 3.14Å; K101-M112 HydrophobicContact CB-CE 4.49Å; K101-M112 HydrophobicContact CD-CE 4.15Å; K101-M112 HydrophobicContact CD-SD 4.19Å; K101-W113 HydrophobicContact CB-CH2 4.34Å; K101-W113 HydrophobicContact CB-CZ2 3.68Å; K101-W113 WeakPolarHBondContact O-CH2 3.19Å
102	H	96.7	Very high	94.7	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.486	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.4	171.5	-69.1	-89.4	0	0	0	110.4	M94 Y95 N107	M94-H102 WeakPolarHBondContact O-CA 3.42Å; Y95-H102 AromaticContact CD2-CD2 3.98Å; Y95-H102 AromaticContact CD2-CE1 3.31Å; Y95-H102 WeakPolarHBondContact CD2-CE1 3.33Å; Y95-H102 AromaticContact CD2-ND1 3.71Å; Y95-H102 AromaticContact CD2-NE2 3.48Å; Y95-H102 WeakPolarHBondContact CD2-NE2 3.38Å; Y95-H102 AromaticContact CE2-CE1 3.95Å; Y95-H102 AromaticContact CE2-NE2 3.69Å; H102-N107 PolarHBondContact O-ND2 3.02Å
103	F	97.1	Very high	95	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.9	169.5	-177	-86.8	0	0	0	108.7	F72 S93 M94 D108 W113 W114	F72-F103 AromaticContact CD2-CE1 3.97Å; F72-F103 HydrophobicContact CD2-CE1 3.97Å; F72-F103 AromaticContact CD2-CZ 3.57Å; F72-F103 HydrophobicContact CD2-CZ 3.57Å; F72-F103 HydrophobicContact CE2-CE1 4.27Å; F72-F103 AromaticContact CE2-CZ 3.71Å; F72-F103 HydrophobicContact CE2-CZ 3.71Å; S93-F103 WeakPolarHBondContact CA-O 3.37Å; M94-F103 HydrophobicContact CB-CB 3.95Å; M94-F103 HydrophobicContact CE-CB 3.75Å; M94-F103 HydrophobicContact CE-CD1 3.52Å; M94-F103 HydrophobicContact CE-CD2 3.79Å; M94-F103 HydrophobicContact CE-CE1 4.01Å; M94-F103 HydrophobicContact CE-CE2 4.22Å; M94-F103 HydrophobicContact CE-CG 3.39Å; M94-F103 HydrophobicContact CE-CZ 4.33Å; M94-F103 HydrophobicContact CG-CB 4.47Å; M94-F103 PolarHBondContact N-O 3.03Å; M94-F103 VanDerWaalsContact N-O 3.07Å; M94-F103 PolarHBondContact O-N 3.44Å; F103-D108 HydrophobicContact CD2-CB 4.31Å; F103-D108 HydrophobicContact CE1-CB 4.27Å; F103-D108 VanDerWaalsContact CE2-CA 3.45Å; F103-D108 HydrophobicContact CE2-CB 3.41Å; F103-D108 VanDerWaalsContact CE2-CB 3.41Å; F103-D108 HydrophobicContact CZ-CB 3.37Å; F103-W113 HydrophobicContact CB-CD2 3.96Å; F103-W113 HydrophobicContact CB-CE3 4.12Å; F103-W113 HydrophobicContact CB-CH2 3.95Å; F103-W113 HydrophobicContact CB-CZ2 3.77Å; F103-W113 HydrophobicContact CB-CZ3 4.12Å; F103-W113 HydrophobicContact CD2-CB 3.98Å; F103-W113 AromaticContact CD2-CD1 3.6Å; F103-W113 AromaticContact CD2-CD2 3.74Å; F103-W113 HydrophobicContact CD2-CD2 3.74Å; F103-W113 HydrophobicContact CD2-CE3 4.37Å; F103-W113 AromaticContact CD2-CG 3.51Å; F103-W113 HydrophobicContact CD2-CG 3.51Å; F103-W113 AromaticContact CD2-NE1 3.88Å; F103-W113 HydrophobicContact CE2-CB 4.15Å; F103-W113 HydrophobicContact CE2-CG 4.14Å; F103-W113 HydrophobicContact CG-CD2 4.29Å; F103-W113 HydrophobicContact CG-CG 4.49Å; F103-W114 HydrophobicContact CE2-CZ2 4.05Å; F103-W114 HydrophobicContact CZ-CZ2 4Å
104	T	94.9	Very high	95	Very high	44 Å²	44	57.8 Å²	57.8	27%	0.27	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-141.7	167.3	166.5	69.9	0	0	0	0	109.2	S92 Q106 N107 D108	S92-T104 WeakPolarHBondContact O-CA 3.47Å; T104-Q106 PolarHBondContact O-N 2.68Å; T104-Q106 PolarHBondContact OG1-N 3.02Å; T104-Q106 PolarHBondContact OG1-OE1 3.48Å; T104-N107 CarbonylContact O-C 3.55Å; T104-N107 PolarHBondContact O-N 3.46Å; T104-N107 PolarHBondContact OG1-N 3.36Å; T104-D108 PolarHBondContact O-N 2.72Å
105	L	88.4	Confident	94.8	Very high	82 Å²	82	61 Å²	61	43%	0.429	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.9	173.5	-58.7	178	0	0	0	114	F72	F72-L105 HydrophobicContact CD1-CD2 3.66Å; F72-L105 HydrophobicContact CE1-CD2 3.44Å; F72-L105 VanDerWaalsContact CE1-CD2 3.44Å; F72-L105 HydrophobicContact CE2-CD2 4.31Å; F72-L105 HydrophobicContact CG-CD2 4.21Å; F72-L105 HydrophobicContact CZ-CD2 3.79Å
106	Q	87.9	Confident	94.7	Very high	166 Å²	166	62 Å²	62	78%	0.776	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-9.2	175.4	-62.2	78	23.6	0	0	112.8	T104	T104-Q106 PolarHBondContact O-N 2.68Å; T104-Q106 PolarHBondContact OG1-N 3.02Å; T104-Q106 PolarHBondContact OG1-OE1 3.48Å
107	N	91	Very high	94.7	Very high	85 Å²	85	61.8 Å²	61.8	46%	0.455	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-141.4	62.9	-176.4	-174.7	40.1	0	0	0	110.3	H102 T104	H102-N107 PolarHBondContact O-ND2 3.02Å; T104-N107 CarbonylContact O-C 3.55Å; T104-N107 PolarHBondContact O-N 3.46Å; T104-N107 PolarHBondContact OG1-N 3.36Å
108	D	91.9	Very high	94.8	Very high	29 Å²	29	62 Å²	62	16%	0.155	34%	0.335	C	S	.	.			trans	-111	-4.3	-174.7	64.3	-23.9	0	0	0	113.4	F72 F103 T104 D110 W114	F72-D108 HydrophobicContact CE2-CB 3.92Å; F72-D108 VanDerWaalsContact CE2-OD2 3.26Å; F72-D108 WeakPolarHBondContact CE2-OD2 3.38Å; F72-D108 WeakPolarHBondContact CZ-OD2 3.31Å; F103-D108 HydrophobicContact CD2-CB 4.31Å; F103-D108 HydrophobicContact CE1-CB 4.27Å; F103-D108 VanDerWaalsContact CE2-CA 3.45Å; F103-D108 HydrophobicContact CE2-CB 3.41Å; F103-D108 VanDerWaalsContact CE2-CB 3.41Å; F103-D108 HydrophobicContact CZ-CB 3.37Å; T104-D108 PolarHBondContact O-N 2.72Å; D108-D110 VanDerWaalsContact C-N 3.35Å; D108-D110 PolarHBondContact O-N 3.49Å; D108-W114 HydrophobicContact CB-CZ2 4.4Å; D108-W114 PolarHBondContact O-NE1 3.12Å
109	S	91.4	Very high	94.9	Very high	66 Å²	66	56 Å²	56	46%	0.462	31%	0.305	S	S	.	.			trans	-77.8	-10.1	-170.5	61.8	0	0	0	0	115.8	P111	S109-P111 VanDerWaalsContact O-CD 3.3Å; S109-P111 WeakPolarHBondContact O-CD 3.23Å
110	D	95.2	Very high	95.1	Very high	45 Å²	45	54.1 Å²	54.1	24%	0.241	29%	0.292	C	S	.	.			trans	-69.9	118.1	179.3	-174.6	-25.3	0	0	0	110.7	K101 D108 M112 W113	K101-D110 IonicContact NZ-OD2 3.09Å; K101-D110 PolarHBondContact NZ-OD2 3.14Å; D108-D110 VanDerWaalsContact C-N 3.35Å; D108-D110 PolarHBondContact O-N 3.49Å; D110-M112 PolarHBondContact O-N 3Å; D110-M112 WeakPolarHBondContact OD1-CB 3.4Å; D110-M112 PolarHBondContact OD1-N 3.34Å; D110-W113 PolarHBondContact O-N 3.24Å; D110-W113 VanDerWaalsContact O-N 3.16Å
111	P	95.6	Very high	95.2	Very high	43 Å²	43	48 Å²	48	28%	0.279	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-19.7	-177.4	-23.8	34.8	0	0	0	114.8	S109 W113 W114 S115 V141 T142	S109-P111 VanDerWaalsContact O-CD 3.3Å; S109-P111 WeakPolarHBondContact O-CD 3.23Å; P111-W113 PolarHBondContact O-N 3.34Å; P111-W114 PolarHBondContact O-N 3.21Å; P111-W114 VanDerWaalsContact O-N 3.15Å; P111-S115 WeakPolarHBondContact O-CB 3.46Å; P111-S115 PolarHBondContact O-N 3.35Å; P111-S115 VanDerWaalsContact O-N 3.11Å; P111-V141 HydrophobicContact CB-CG1 3.99Å; P111-V141 HydrophobicContact CG-CG1 3.94Å; P111-T142 VanDerWaalsContact CG-O 3.29Å; P111-T142 WeakPolarHBondContact CG-O 3.44Å
112	M	95.8	Very high	95.3	Very high	50 Å²	50	44.7 Å²	44.7	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-57.6	-32.5	176.6	-173.5	-158.4	79.3	0	0	112.6	D96 S99 K101 D110 W114 S115 R310	D96-M112 HydrophobicContact CB-CE 4.3Å; S99-M112 WeakPolarHBondContact OG-CE 3.39Å; K101-M112 HydrophobicContact CB-CE 4.49Å; K101-M112 HydrophobicContact CD-CE 4.15Å; K101-M112 HydrophobicContact CD-SD 4.19Å; D110-M112 PolarHBondContact O-N 3Å; D110-M112 WeakPolarHBondContact OD1-CB 3.4Å; D110-M112 PolarHBondContact OD1-N 3.34Å; M112-W114 VanDerWaalsContact C-N 3.33Å; M112-S115 PolarHBondContact O-OG 2.75Å; M112-S115 VanDerWaalsContact O-OG 3.12Å; M112-R310 PolarHBondContact O-NH2 3.26Å
113	W	97.2	Very high	95.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-36.4	179.4	-63.5	111.3	0	0	0	112	I89 M94 D96 K101 F103 D110 P111 R310	I89-W113 HydrophobicContact CD1-CB 3.98Å; I89-W113 WeakPolarHBondContact CD1-O 3.35Å; M94-W113 HydrophobicContact CB-CZ3 4.27Å; M94-W113 HydrophobicContact CE-CE3 3.95Å; M94-W113 HydrophobicContact CE-CZ3 4.38Å; D96-W113 HydrophobicContact CB-CH2 3.51Å; D96-W113 HydrophobicContact CB-CZ2 4.49Å; D96-W113 HydrophobicContact CB-CZ3 3.7Å; K101-W113 HydrophobicContact CB-CH2 4.34Å; K101-W113 HydrophobicContact CB-CZ2 3.68Å; K101-W113 WeakPolarHBondContact O-CH2 3.19Å; F103-W113 HydrophobicContact CB-CD2 3.96Å; F103-W113 HydrophobicContact CB-CE3 4.12Å; F103-W113 HydrophobicContact CB-CH2 3.95Å; F103-W113 HydrophobicContact CB-CZ2 3.77Å; F103-W113 HydrophobicContact CB-CZ3 4.12Å; F103-W113 HydrophobicContact CD2-CB 3.98Å; F103-W113 AromaticContact CD2-CD1 3.6Å; F103-W113 AromaticContact CD2-CD2 3.74Å; F103-W113 HydrophobicContact CD2-CD2 3.74Å; F103-W113 HydrophobicContact CD2-CE3 4.37Å; F103-W113 AromaticContact CD2-CG 3.51Å; F103-W113 HydrophobicContact CD2-CG 3.51Å; F103-W113 AromaticContact CD2-NE1 3.88Å; F103-W113 HydrophobicContact CE2-CB 4.15Å; F103-W113 HydrophobicContact CE2-CG 4.14Å; F103-W113 HydrophobicContact CG-CD2 4.29Å; F103-W113 HydrophobicContact CG-CG 4.49Å; D110-W113 PolarHBondContact O-N 3.24Å; D110-W113 VanDerWaalsContact O-N 3.16Å; P111-W113 PolarHBondContact O-N 3.34Å; W113-R310 HydrophobicContact CZ3-CG 4.39Å; W113-R310 PolarHBondContact O-NH1 2.72Å
114	W	96.9	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-101.4	2.8	-169.6	-51.3	91.7	0	0	0	113.8	F72 Y76 I89 F103 D108 P111 M112 P137 V141 R144	F72-W114 AromaticContact CD2-CH2 3.45Å; F72-W114 HydrophobicContact CD2-CH2 3.45Å; F72-W114 VanDerWaalsContact CD2-CH2 3.45Å; F72-W114 AromaticContact CD2-CZ2 3.83Å; F72-W114 HydrophobicContact CD2-CZ2 3.83Å; F72-W114 AromaticContact CE2-CH2 3.76Å; F72-W114 HydrophobicContact CE2-CH2 3.76Å; F72-W114 AromaticContact CE2-CZ2 3.8Å; F72-W114 HydrophobicContact CE2-CZ2 3.8Å; F72-W114 HydrophobicContact CG-CH2 4.44Å; Y76-W114 HydrophobicContact CD1-CE3 4.22Å; Y76-W114 HydrophobicContact CD1-CZ3 4.45Å; Y76-W114 AromaticContact CD2-CE3 3.69Å; Y76-W114 HydrophobicContact CD2-CE3 3.69Å; Y76-W114 AromaticContact CD2-CZ3 3.58Å; Y76-W114 HydrophobicContact CD2-CZ3 3.58Å; Y76-W114 HydrophobicContact CE1-CE3 4.05Å; Y76-W114 AromaticContact CE2-CE3 3.53Å; Y76-W114 HydrophobicContact CE2-CE3 3.53Å; Y76-W114 AromaticContact CE2-CZ3 3.91Å; Y76-W114 HydrophobicContact CE2-CZ3 3.91Å; Y76-W114 HydrophobicContact CG-CE3 4.05Å; Y76-W114 AromaticContact CG-CZ3 3.89Å; Y76-W114 HydrophobicContact CG-CZ3 3.89Å; Y76-W114 AromaticContact CZ-CE3 3.72Å; Y76-W114 PolarHBondContact OH-O 3.04Å; I89-W114 HydrophobicContact CD1-CD2 3.72Å; I89-W114 HydrophobicContact CD1-CE3 3.67Å; I89-W114 HydrophobicContact CD1-CG 4.29Å; I89-W114 HydrophobicContact CD1-CH2 4.38Å; I89-W114 HydrophobicContact CD1-CZ2 4.39Å; I89-W114 HydrophobicContact CD1-CZ3 4.01Å; I89-W114 HydrophobicContact CG1-CD2 4.22Å; I89-W114 HydrophobicContact CG1-CE3 3.63Å; I89-W114 HydrophobicContact CG1-CH2 4.45Å; I89-W114 HydrophobicContact CG1-CZ3 3.76Å; I89-W114 HydrophobicContact CG2-CZ3 4.46Å; F103-W114 HydrophobicContact CE2-CZ2 4.05Å; F103-W114 HydrophobicContact CZ-CZ2 4Å; D108-W114 HydrophobicContact CB-CZ2 4.4Å; D108-W114 PolarHBondContact O-NE1 3.12Å; P111-W114 PolarHBondContact O-N 3.21Å; P111-W114 VanDerWaalsContact O-N 3.15Å; M112-W114 VanDerWaalsContact C-N 3.33Å; W114-P137 HydrophobicContact CH2-CB 4.4Å; W114-V141 HydrophobicContact CD2-CG2 4.15Å; W114-V141 HydrophobicContact CG-CG1 4.33Å; W114-V141 HydrophobicContact CG-CG2 3.97Å; W114-V141 HydrophobicContact CZ2-CG2 4.45Å; W114-R144 PolarHBondContact O-NE 2.9Å; W114-R144 PolarHBondContact O-NH2 3.16Å
115	S	94.4	Very high	95.6	Very high	71 Å²	71	41.3 Å²	41.3	50%	0.497	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21	-170.9	60.6	0	0	0	0	113.9	P111 M112 A117	P111-S115 WeakPolarHBondContact O-CB 3.46Å; P111-S115 PolarHBondContact O-N 3.35Å; P111-S115 VanDerWaalsContact O-N 3.11Å; M112-S115 PolarHBondContact O-OG 2.75Å; M112-S115 VanDerWaalsContact O-OG 3.12Å; S115-A117 VanDerWaalsContact C-N 3.28Å; S115-A117 PolarHBondContact O-N 2.75Å
116	A	96.4	Very high	96	Very high	62 Å²	62	43 Å²	43	51%	0.512	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.2	-175	0	0	0	0	0	114.2
117	A	97.2	Very high	96.5	Very high	6 Å²	6	37.3 Å²	37.3	5%	0.05	22%	0.218	C	C	.	.	S	Bend	trans	-135.7	146.3	-179.8	0	0	0	0	0	111.9	Y76 T80 L82 H87 S115 P119 R144	Y76-A117 HydrophobicContact CE1-CB 3.99Å; Y76-A117 PolarHBondContact OH-O 3.18Å; T80-A117 HydrophobicContact CG2-CB 3.8Å; L82-A117 HydrophobicContact CD1-CB 3.45Å; L82-A117 VanDerWaalsContact CD1-CB 3.45Å; H87-A117 HydrophobicContact CB-CB 3.55Å; S115-A117 VanDerWaalsContact C-N 3.28Å; S115-A117 PolarHBondContact O-N 2.75Å; A117-P119 WeakPolarHBondContact O-CD 3.43Å; A117-R144 PolarHBondContact O-NH2 2.95Å
118	K	98	Very high	96.7	Very high	60 Å²	60	36.5 Å²	36.5	26%	0.261	23%	0.23	S	C	.	.			trans	-97.8	111.2	175.7	-174.2	174.3	-170.9	147.4	0	110	L122 D126 Q384	K118-L122 HydrophobicContact CD-CB 4.39Å; K118-L122 VanDerWaalsContact CE-C 3.43Å; K118-L122 WeakPolarHBondContact CE-O 3.44Å; K118-L122 HydrophobicContact CG-CB 3.83Å; K118-D126 IonicContact NZ-OD1 3.35Å; K118-D126 PolarHBondContact NZ-OD1 2.78Å; K118-D126 IonicContact NZ-OD2 3.45Å; K118-D126 PolarHBondContact NZ-OD2 2.92Å; K118-Q384 HydrophobicContact CB-CG 4.33Å; K118-Q384 HydrophobicContact CD-CG 4.45Å
119	P	98.6	Very high	97	Very high	1 Å²	1	38 Å²	38	1%	0.006	23%	0.234	C	C	.	.			trans	-72.3	157.5	179.6	31.2	-36.5	0	0	0	111.6	Y76 V79 T80 A117 W121 L122 T123	Y76-P119 HydrophobicContact CE2-CB 4.09Å; Y76-P119 HydrophobicContact CE2-CG 4.31Å; V79-P119 HydrophobicContact CB-CB 4.46Å; V79-P119 HydrophobicContact CG2-CB 3.96Å; V79-P119 CarbonylContact O-C 3.6Å; V79-P119 WeakPolarHBondContact O-CA 3.31Å; T80-P119 HydrophobicContact CG2-CB 4.24Å; A117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-W121 HydrophobicContact CB-CD2 3.78Å; P119-W121 HydrophobicContact CB-CE3 3.95Å; P119-W121 HydrophobicContact CB-CH2 3.64Å; P119-W121 HydrophobicContact CB-CZ2 3.46Å; P119-W121 VanDerWaalsContact CB-CZ2 3.46Å; P119-W121 HydrophobicContact CB-CZ3 3.9Å; P119-W121 HydrophobicContact CG-CD2 3.88Å; P119-W121 HydrophobicContact CG-CG 4.4Å; P119-W121 HydrophobicContact CG-CH2 4.05Å; P119-W121 HydrophobicContact CG-CZ2 3.32Å; P119-W121 PolarHBondContact O-N 3.37Å; P119-W121 VanDerWaalsContact O-N 3.14Å; P119-L122 HydrophobicContact CG-CD1 4.14Å; P119-L122 HydrophobicContact CG-CG 4.05Å; P119-L122 PolarHBondContact O-N 3.45Å; P119-T123 PolarHBondContact O-N 2.87Å; P119-T123 VanDerWaalsContact O-N 3.15Å
120	L	98.9	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.1	-36.1	-173.4	-178	54.7	0	0	0	113.3	V79 L122 T123 A124 F180 Y372 M375 L379 V381	V79-L120 PolarHBondContact O-N 2.72Å; L120-L122 PolarHBondContact O-N 2.94Å; L120-T123 PolarHBondContact O-N 2.83Å; L120-T123 VanDerWaalsContact O-N 3.16Å; L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.24Å; L120-F180 HydrophobicContact CB-CD1 4.38Å; L120-F180 HydrophobicContact CB-CE1 3.82Å; L120-F180 HydrophobicContact CB-CZ 4.13Å; L120-F180 HydrophobicContact CD2-CD1 4.34Å; L120-F180 HydrophobicContact CD2-CD2 4.06Å; L120-F180 HydrophobicContact CD2-CE1 3.97Å; L120-F180 HydrophobicContact CD2-CE2 3.68Å; L120-F180 HydrophobicContact CD2-CG 4.37Å; L120-F180 HydrophobicContact CD2-CZ 3.63Å; L120-F180 HydrophobicContact CG-CD1 3.99Å; L120-F180 HydrophobicContact CG-CE1 3.81Å; L120-F180 HydrophobicContact CG-CE2 4.36Å; L120-F180 HydrophobicContact CG-CG 4.33Å; L120-F180 HydrophobicContact CG-CZ 4.01Å; L120-Y372 HydrophobicContact CB-CD2 4.2Å; L120-Y372 HydrophobicContact CB-CE2 3.9Å; L120-Y372 HydrophobicContact CD1-CE2 4.15Å; L120-M375 HydrophobicContact CD2-CB 3.5Å; L120-M375 VanDerWaalsContact CD2-CB 3.5Å; L120-M375 HydrophobicContact CD2-CE 3.78Å; L120-M375 HydrophobicContact CD2-CG 4.38Å; L120-M375 HydrophobicContact CD2-SD 4.03Å; L120-L379 HydrophobicContact CD1-CD1 4.18Å; L120-L379 HydrophobicContact CD2-CD1 4.01Å; L120-L379 HydrophobicContact CG-CD1 4.23Å; L120-V381 HydrophobicContact CD1-CG2 4.02Å
121	W	98.8	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-27.4	177.6	58.9	83.2	0	0	0	113.4	Y76 V79 P119 K125 T131 W136 R144 P146 F180	Y76-W121 HydrophobicContact CD2-CH2 4.48Å; Y76-W121 HydrophobicContact CE2-CH2 4.21Å; Y76-W121 HydrophobicContact CE2-CZ2 4.35Å; V79-W121 HydrophobicContact CB-CE3 4.38Å; V79-W121 HydrophobicContact CB-CZ3 3.89Å; V79-W121 HydrophobicContact CG1-CE3 4.46Å; V79-W121 HydrophobicContact CG1-CZ3 3.95Å; V79-W121 HydrophobicContact CG2-CE3 4.44Å; V79-W121 HydrophobicContact CG2-CH2 3.87Å; V79-W121 HydrophobicContact CG2-CZ3 3.57Å; P119-W121 HydrophobicContact CB-CD2 3.78Å; P119-W121 HydrophobicContact CB-CE3 3.95Å; P119-W121 HydrophobicContact CB-CH2 3.64Å; P119-W121 HydrophobicContact CB-CZ2 3.46Å; P119-W121 VanDerWaalsContact CB-CZ2 3.46Å; P119-W121 HydrophobicContact CB-CZ3 3.9Å; P119-W121 HydrophobicContact CG-CD2 3.88Å; P119-W121 HydrophobicContact CG-CG 4.4Å; P119-W121 HydrophobicContact CG-CH2 4.05Å; P119-W121 HydrophobicContact CG-CZ2 3.32Å; P119-W121 PolarHBondContact O-N 3.37Å; P119-W121 VanDerWaalsContact O-N 3.14Å; W121-K125 VanDerWaalsContact O-CG 3.23Å; W121-K125 WeakPolarHBondContact O-CG 3.35Å; W121-K125 PolarHBondContact O-N 2.87Å; W121-T131 HydrophobicContact CB-CG2 4.29Å; W121-T131 WeakPolarHBondContact O-CG2 3.29Å; W121-T131 PolarHBondContact O-OG1 2.81Å; W121-W136 AromaticContact CH2-CD1 3.88Å; W121-W136 AromaticContact CZ3-CD1 3.63Å; W121-W136 HydrophobicContact CZ3-CG 4.25Å; W121-R144 PolarHBondContact NE1-O 3.46Å; W121-P146 HydrophobicContact CB-CB 4.43Å; W121-P146 HydrophobicContact CB-CG 4.11Å; W121-P146 HydrophobicContact CD2-CG 4.37Å; W121-P146 HydrophobicContact CG-CG 3.85Å; W121-F180 HydrophobicContact CB-CD1 3.98Å; W121-F180 HydrophobicContact CB-CE1 4.11Å; W121-F180 HydrophobicContact CE3-CE1 4.32Å
122	L	98.6	Very high	97.6	Very high	20 Å²	20	33 Å²	33	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-81	-38	171.6	-62.5	-173.5	0	0	0	111.3	K118 P119 L120 A124 K125 D126 R144	K118-L122 HydrophobicContact CD-CB 4.39Å; K118-L122 VanDerWaalsContact CE-C 3.43Å; K118-L122 WeakPolarHBondContact CE-O 3.44Å; K118-L122 HydrophobicContact CG-CB 3.83Å; P119-L122 HydrophobicContact CG-CD1 4.14Å; P119-L122 HydrophobicContact CG-CG 4.05Å; P119-L122 PolarHBondContact O-N 3.45Å; L120-L122 PolarHBondContact O-N 2.94Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.43Å; L122-K125 HydrophobicContact CD2-CD 4.3Å; L122-K125 PolarHBondContact O-N 2.73Å; L122-D126 PolarHBondContact O-N 2.94Å; L122-R144 HydrophobicContact CD1-CB 4.13Å
123	T	98.6	Very high	97.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-40.5	174.6	-58.1	0	0	0	0	112.2	P119 L120 D126 S127 V381 P382 Q384	P119-T123 PolarHBondContact O-N 2.87Å; P119-T123 VanDerWaalsContact O-N 3.15Å; L120-T123 PolarHBondContact O-N 2.83Å; L120-T123 VanDerWaalsContact O-N 3.16Å; T123-D126 PolarHBondContact O-N 3.28Å; T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 3.18Å; T123-V381 HydrophobicContact CG2-CG2 4.36Å; T123-P382 WeakPolarHBondContact CG2-O 3.18Å; T123-Q384 HydrophobicContact CG2-CG 4.37Å
124	A	98.5	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.4	-38.8	175.1	0	0	0	0	0	112	L120 L122 D126 S127 G128 Y129 T131 F180	L120-A124 WeakPolarHBondContact O-CB 3.47Å; L120-A124 PolarHBondContact O-N 3.24Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.43Å; A124-D126 PolarHBondContact O-N 3.33Å; A124-S127 CarbonylContact O-C 3.59Å; A124-S127 WeakPolarHBondContact O-CA 3.05Å; A124-S127 WeakPolarHBondContact O-CB 3.37Å; A124-S127 PolarHBondContact O-N 2.87Å; A124-G128 PolarHBondContact O-N 2.81Å; A124-Y129 HydrophobicContact CB-CD2 4.2Å; A124-Y129 WeakPolarHBondContact O-CB 3.16Å; A124-Y129 PolarHBondContact O-N 3.24Å; A124-T131 HydrophobicContact CB-CG2 3.66Å; A124-F180 HydrophobicContact CB-CB 4.42Å
125	K	97.9	Very high	97.9	Very high	77 Å²	77	30.8 Å²	30.8	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-44.1	172.9	-80.1	173.8	61.2	168.8	0	112.7	W121 L122 S127 G128 Y129 T131 T145	W121-K125 VanDerWaalsContact O-CG 3.23Å; W121-K125 WeakPolarHBondContact O-CG 3.35Å; W121-K125 PolarHBondContact O-N 2.87Å; L122-K125 HydrophobicContact CD2-CD 4.3Å; L122-K125 PolarHBondContact O-N 2.73Å; K125-S127 PolarHBondContact O-N 3.37Å; K125-G128 PolarHBondContact O-N 3.31Å; K125-Y129 WeakPolarHBondContact CA-O 3.29Å; K125-T131 WeakPolarHBondContact CD-OG1 3.38Å; K125-T131 HydrophobicContact CG-CG2 4.07Å; K125-T145 PolarHBondContact NZ-O 2.74Å
126	D	98	Very high	98.1	Very high	118 Å²	118	27.5 Å²	27.5	63%	0.631	16%	0.163	S	C	*	.	H	α-helix	trans	-59.2	-28.5	173.7	-82.9	37.8	0	0	0	113	K118 L122 T123 A124 G128	K118-D126 IonicContact NZ-OD1 3.35Å; K118-D126 PolarHBondContact NZ-OD1 2.78Å; K118-D126 IonicContact NZ-OD2 3.45Å; K118-D126 PolarHBondContact NZ-OD2 2.92Å; L122-D126 PolarHBondContact O-N 2.94Å; T123-D126 PolarHBondContact O-N 3.28Å; A124-D126 PolarHBondContact O-N 3.33Å; D126-G128 PolarHBondContact O-N 3.36Å
127	S	96.9	Very high	98.2	Very high	47 Å²	47	25 Å²	25	33%	0.329	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	10.1	176.7	-50.4	0	0	0	0	112.9	T123 A124 K125	T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 3.18Å; A124-S127 CarbonylContact O-C 3.59Å; A124-S127 WeakPolarHBondContact O-CA 3.05Å; A124-S127 WeakPolarHBondContact O-CB 3.37Å; A124-S127 PolarHBondContact O-N 2.87Å; K125-S127 PolarHBondContact O-N 3.37Å
128	G	96.6	Very high	98.1	Very high	68 Å²	68	24.8 Å²	24.8	70%	0.701	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	4.6	178.7	0	0	0	0	0	114.8	A124 K125 D126	A124-G128 PolarHBondContact O-N 2.81Å; K125-G128 PolarHBondContact O-N 3.31Å; D126-G128 PolarHBondContact O-N 3.36Å
129	Y	97.6	Very high	98.1	Very high	59 Å²	59	22 Å²	22	23%	0.231	13%	0.128	C	C	.	.			trans	-85.6	147.4	179.5	-62.8	-28.1	0	0	0	113	A124 K125 M179 L379 V381	A124-Y129 HydrophobicContact CB-CD2 4.2Å; A124-Y129 WeakPolarHBondContact O-CB 3.16Å; A124-Y129 PolarHBondContact O-N 3.24Å; K125-Y129 WeakPolarHBondContact CA-O 3.29Å; Y129-M179 HydrophobicContact CD1-CB 4.23Å; Y129-M179 HydrophobicContact CD1-CG 3.66Å; Y129-M179 HydrophobicContact CD2-CB 3.89Å; Y129-M179 HydrophobicContact CD2-CG 4.21Å; Y129-M179 HydrophobicContact CE1-CG 4.14Å; Y129-M179 HydrophobicContact CE2-CB 4.48Å; Y129-M179 HydrophobicContact CG-CB 3.75Å; Y129-M179 HydrophobicContact CG-CG 3.71Å; Y129-L379 WeakPolarHBondContact CE2-O 3.37Å; Y129-L379 PolarHBondContact OH-O 2.96Å; Y129-V381 HydrophobicContact CD2-CG1 3.87Å; Y129-V381 HydrophobicContact CE2-CG1 3.55Å
130	K	98.1	Very high	98.1	Very high	51 Å²	51	23.9 Å²	23.9	22%	0.222	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145.9	162.2	-65	-171.4	-170.3	171.9	0	110	T147 E175 P176 A178 M179	K130-T147 HydrophobicContact CB-CG2 4.33Å; K130-T147 HydrophobicContact CD-CG2 4.23Å; K130-T147 HydrophobicContact CG-CG2 4.16Å; K130-E175 VanDerWaalsContact NZ-CB 3.32Å; K130-E175 IonicContact NZ-OE2 3.16Å; K130-E175 PolarHBondContact NZ-OE2 3.41Å; K130-P176 WeakPolarHBondContact CD-O 3.21Å; K130-P176 PolarHBondContact NZ-O 2.76Å; K130-A178 HydrophobicContact CB-CB 4.48Å; K130-A178 CarbonylContact O-C 3.55Å; K130-A178 VanDerWaalsContact O-CA 3.27Å; K130-A178 WeakPolarHBondContact O-CA 3.39Å; K130-M179 PolarHBondContact O-N 3.2Å
131	T	98.7	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.1	179.8	61.6	0	0	0	0	112.1	W121 A124 K125 P146 T147 H148 F180	W121-T131 HydrophobicContact CB-CG2 4.29Å; W121-T131 WeakPolarHBondContact O-CG2 3.29Å; W121-T131 PolarHBondContact O-OG1 2.81Å; A124-T131 HydrophobicContact CB-CG2 3.66Å; K125-T131 WeakPolarHBondContact CD-OG1 3.38Å; K125-T131 HydrophobicContact CG-CG2 4.07Å; T131-P146 WeakPolarHBondContact OG1-CA 3.49Å; T131-P146 WeakPolarHBondContact OG1-CB 3.35Å; T131-T147 PolarHBondContact N-OG1 2.9Å; T131-T147 WeakPolarHBondContact O-CA 3.44Å; T131-T147 VanDerWaalsContact O-CB 3.27Å; T131-T147 WeakPolarHBondContact O-CB 3.39Å; T131-T147 PolarHBondContact O-N 3.09Å; T131-T147 PolarHBondContact OG1-N 2.92Å; T131-H148 PolarHBondContact O-N 2.92Å; T131-F180 CarbonylContact C-O 3.58Å; T131-F180 WeakPolarHBondContact CA-O 3.27Å; T131-F180 WeakPolarHBondContact CB-O 3.4Å; T131-F180 HydrophobicContact CG2-CB 4.15Å
132	A	98.6	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.7	-177.2	0	0	0	0	0	112.1	H148 W168 A178 F180 A181 T182	A132-H148 CarbonylContact C-O 3.57Å; A132-H148 WeakPolarHBondContact CA-O 3.38Å; A132-H148 HydrophobicContact CB-CB 4.48Å; A132-W168 HydrophobicContact CB-CB 4.04Å; A132-W168 HydrophobicContact CB-CD2 4.4Å; A132-W168 HydrophobicContact CB-CE3 3.76Å; A132-A178 HydrophobicContact CB-CB 3.94Å; A132-F180 PolarHBondContact N-O 3.11Å; A132-A181 HydrophobicContact CB-CB 3.92Å; A132-A181 VanDerWaalsContact O-CA 3.29Å; A132-A181 WeakPolarHBondContact O-CA 3.47Å; A132-T182 PolarHBondContact O-N 2.87Å; A132-T182 PolarHBondContact O-OG1 3.14Å
133	S	98.7	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	128.2	167.6	176.9	0	0	0	0	112.2	W136 S139 H148 F149 F150 T182	S133-W136 WeakPolarHBondContact OG-CB 3.27Å; S133-W136 PolarHBondContact OG-N 3.47Å; S133-S139 VanDerWaalsContact CB-CB 3.5Å; S133-S139 WeakPolarHBondContact CB-OG 3.44Å; S133-S139 WeakPolarHBondContact OG-CB 3.31Å; S133-S139 PolarHBondContact OG-OG 3.11Å; S133-H148 PolarHBondContact N-O 2.8Å; S133-F149 CarbonylContact O-C 3.52Å; S133-F149 WeakPolarHBondContact O-CA 3.45Å; S133-F150 PolarHBondContact O-N 3.15Å; S133-T182 CarbonylContact C-O 3.6Å; S133-T182 WeakPolarHBondContact CA-O 3.37Å; S133-T182 WeakPolarHBondContact CA-OG1 3.37Å; S133-T182 WeakPolarHBondContact CB-OG1 3.4Å; S133-T182 PolarHBondContact OG-OG1 3.3Å; S133-T182 VanDerWaalsContact OG-OG1 3.07Å
134	A	98.6	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	92.3	161.6	0	0	0	0	0	109.8	W136 F150 R161 V165 T182 L183 Y184	A134-W136 VanDerWaalsContact C-N 3.32Å; A134-W136 PolarHBondContact O-N 3.28Å; A134-F150 HydrophobicContact CB-CD2 3.85Å; A134-F150 HydrophobicContact CB-CE2 4.44Å; A134-R161 HydrophobicContact CB-CB 3.96Å; A134-R161 HydrophobicContact CB-CG 4.34Å; A134-V165 HydrophobicContact CB-CG2 3.53Å; A134-T182 PolarHBondContact N-O 2.8Å; A134-L183 HydrophobicContact CB-CG 4.29Å; A134-Y184 PolarHBondContact O-N 3.16Å
135	M	98	Very high	97.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.025	21%	0.212	C	C	.	.	S	Bend	trans	65	25.6	166.6	-55.2	-172.4	-175.1	0	0	115.7	F150 Y152 N153 V156 Y184	M135-F150 HydrophobicContact CE-CB 3.93Å; M135-F150 HydrophobicContact CE-CG 4.26Å; M135-F150 HydrophobicContact CG-CB 3.82Å; M135-Y152 HydrophobicContact CB-CD2 4.17Å; M135-Y152 HydrophobicContact SD-CD2 4.3Å; M135-N153 HydrophobicContact CE-CB 3.93Å; M135-N153 VanDerWaalsContact CE-O 3.28Å; M135-N153 WeakPolarHBondContact CE-O 3.45Å; M135-N153 PolarHBondContact SD-N 3.46Å; M135-N153 VanDerWaalsContact SD-N 3.41Å; M135-V156 HydrophobicContact CE-CB 3.62Å; M135-V156 HydrophobicContact CE-CG1 4.25Å; M135-V156 HydrophobicContact CE-CG2 3.6Å; M135-Y184 HydrophobicContact CB-CD1 4.31Å; M135-Y184 WeakPolarHBondContact O-CB 3.49Å
136	W	98.6	Very high	97.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.197	C	C	.	.			trans	-66.8	136.6	171.9	-162.1	-83.4	0	0	0	111.2	L31 H75 L78 V79 W121 S133 A134 G138 S139 T182	L31-W136 HydrophobicContact CD1-CH2 4.38Å; L31-W136 HydrophobicContact CD2-CH2 3.23Å; L31-W136 HydrophobicContact CD2-CZ2 3.61Å; L31-W136 HydrophobicContact CD2-CZ3 3.84Å; L31-W136 HydrophobicContact CG-CH2 3.55Å; L31-W136 HydrophobicContact CG-CZ2 4.41Å; L31-W136 HydrophobicContact CG-CZ3 3.79Å; H75-W136 HydrophobicContact CB-CZ2 4.31Å; H75-W136 AromaticContact CD2-CE2 3.77Å; H75-W136 AromaticContact CD2-CH2 3.86Å; H75-W136 AromaticContact CD2-CZ2 3.64Å; H75-W136 PolarHBondContact O-NE1 2.88Å; L78-W136 HydrophobicContact CB-CZ2 4.09Å; L78-W136 HydrophobicContact CD1-CH2 4.14Å; L78-W136 HydrophobicContact CD1-CZ2 4.03Å; V79-W136 HydrophobicContact CG1-CZ2 3.78Å; W121-W136 AromaticContact CH2-CD1 3.88Å; W121-W136 AromaticContact CZ3-CD1 3.63Å; W121-W136 HydrophobicContact CZ3-CG 4.25Å; S133-W136 WeakPolarHBondContact OG-CB 3.27Å; S133-W136 PolarHBondContact OG-N 3.47Å; A134-W136 VanDerWaalsContact C-N 3.32Å; A134-W136 PolarHBondContact O-N 3.28Å; W136-G138 PolarHBondContact O-N 3.41Å; W136-S139 PolarHBondContact N-OG 3.03Å; W136-S139 WeakPolarHBondContact O-CB 3.39Å; W136-S139 PolarHBondContact O-N 2.96Å; W136-S139 PolarHBondContact O-OG 3.23Å; W136-T182 HydrophobicContact CD2-CG2 4.02Å; W136-T182 HydrophobicContact CE3-CG2 3.98Å; W136-T182 HydrophobicContact CG-CG2 4.33Å; W136-T182 HydrophobicContact CZ3-CG2 4.46Å
137	P	97.6	Very high	97.3	Very high	10 Å²	10	31 Å²	31	7%	0.065	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	124.1	177.5	-31.6	37.8	0	0	0	113.5	F72 H75 W114	F72-P137 HydrophobicContact CD1-CB 4.23Å; F72-P137 HydrophobicContact CD1-CG 4.35Å; F72-P137 HydrophobicContact CD2-CB 4.45Å; F72-P137 HydrophobicContact CE1-CB 4.35Å; F72-P137 HydrophobicContact CE1-CG 4.4Å; F72-P137 HydrophobicContact CG-CB 4.28Å; H75-P137 HydrophobicContact CB-CB 4.03Å; H75-P137 HydrophobicContact CB-CG 3.65Å; W114-P137 HydrophobicContact CH2-CB 4.4Å
138	G	97.1	Very high	97.3	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-1.3	-179	0	0	0	0	0	115.4	W136	W136-G138 PolarHBondContact O-N 3.41Å
139	S	97.8	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.7	-178	69.2	0	0	0	0	114.7	S133 W136 T145 P146	S133-S139 VanDerWaalsContact CB-CB 3.5Å; S133-S139 WeakPolarHBondContact CB-OG 3.44Å; S133-S139 WeakPolarHBondContact OG-CB 3.31Å; S133-S139 PolarHBondContact OG-OG 3.11Å; W136-S139 PolarHBondContact N-OG 3.03Å; W136-S139 WeakPolarHBondContact O-CB 3.39Å; W136-S139 PolarHBondContact O-N 2.96Å; W136-S139 PolarHBondContact O-OG 3.23Å; S139-T145 WeakPolarHBondContact O-CA 3.5Å; S139-P146 WeakPolarHBondContact O-CD 3.44Å
140	D	96.9	Very high	97.4	Very high	42 Å²	42	31.4 Å²	31.4	23%	0.225	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	14.8	176.2	60.1	-16.3	0	0	0	113	F149 Y152	D140-F149 HydrophobicContact CB-CD2 3.9Å; D140-F149 HydrophobicContact CB-CE2 4.01Å; D140-Y152 PolarHBondContact OD2-N 3.19Å
141	V	96.9	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-76.1	126.5	175.7	174.9	0	0	0	0	110.6	P111 W114 N143 R144 T145	P111-V141 HydrophobicContact CB-CG1 3.99Å; P111-V141 HydrophobicContact CG-CG1 3.94Å; W114-V141 HydrophobicContact CD2-CG2 4.15Å; W114-V141 HydrophobicContact CG-CG1 4.33Å; W114-V141 HydrophobicContact CG-CG2 3.97Å; W114-V141 HydrophobicContact CZ2-CG2 4.45Å; V141-N143 PolarHBondContact O-N 3.42Å; V141-R144 HydrophobicContact CB-CB 4.33Å; V141-R144 HydrophobicContact CG1-CB 4.26Å; V141-R144 HydrophobicContact CG1-CG 4.33Å; V141-R144 CarbonylContact O-C 3.56Å; V141-R144 WeakPolarHBondContact O-CA 3.4Å; V141-R144 PolarHBondContact O-N 3.43Å; V141-T145 VanDerWaalsContact O-CG2 3.27Å; V141-T145 WeakPolarHBondContact O-CG2 3.27Å; V141-T145 PolarHBondContact O-N 3.46Å
142	T	93.6	Very high	97.2	Very high	83 Å²	83	38.5 Å²	38.5	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	136.7	-178	-57.6	0	0	0	0	112.2	P111 R144	P111-T142 VanDerWaalsContact CG-O 3.29Å; P111-T142 WeakPolarHBondContact CG-O 3.44Å; T142-R144 PolarHBondContact O-N 3.05Å; T142-R144 VanDerWaalsContact O-N 3.12Å
143	N	92.7	Very high	97.1	Very high	154 Å²	154	42 Å²	42	82%	0.824	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	9.6	-176.7	-58.7	-32.6	0	0	0	115.5	V141	V141-N143 PolarHBondContact O-N 3.42Å
144	R	95.9	Very high	97	Very high	41 Å²	41	45.1 Å²	45.1	16%	0.155	24%	0.238	C	C	.	.	S	Bend	trans	-131.2	16.1	179.1	-57.6	-173.8	69.9	78	-1.3	112.7	W114 A117 W121 L122 V141 T142	W114-R144 PolarHBondContact O-NE 2.9Å; W114-R144 PolarHBondContact O-NH2 3.16Å; A117-R144 PolarHBondContact O-NH2 2.95Å; W121-R144 PolarHBondContact NE1-O 3.46Å; L122-R144 HydrophobicContact CD1-CB 4.13Å; V141-R144 HydrophobicContact CB-CB 4.33Å; V141-R144 HydrophobicContact CG1-CB 4.26Å; V141-R144 HydrophobicContact CG1-CG 4.33Å; V141-R144 CarbonylContact O-C 3.56Å; V141-R144 WeakPolarHBondContact O-CA 3.4Å; V141-R144 PolarHBondContact O-N 3.43Å; T142-R144 PolarHBondContact O-N 3.05Å; T142-R144 VanDerWaalsContact O-N 3.12Å
145	T	97.9	Very high	96.9	Very high	30 Å²	30	49 Å²	49	18%	0.184	27%	0.27	C	S	.	.			trans	-80.1	153.1	-174.2	60.6	0	0	0	0	112.9	K125 S139 V141 F149	K125-T145 PolarHBondContact NZ-O 2.74Å; S139-T145 WeakPolarHBondContact O-CA 3.5Å; V141-T145 VanDerWaalsContact O-CG2 3.27Å; V141-T145 WeakPolarHBondContact O-CG2 3.27Å; V141-T145 PolarHBondContact O-N 3.46Å; T145-F149 HydrophobicContact CG2-CD1 4.15Å; T145-F149 HydrophobicContact CG2-CD2 4.33Å; T145-F149 HydrophobicContact CG2-CE1 3.75Å; T145-F149 HydrophobicContact CG2-CE2 3.94Å; T145-F149 HydrophobicContact CG2-CG 4.44Å; T145-F149 HydrophobicContact CG2-CZ 3.65Å
146	P	98.1	Very high	96.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.013	28%	0.275	C	S	.	.			trans	-58.1	176.6	161.6	-23	33.8	0	0	0	112.9	W121 T131 S139 H148 F149	W121-P146 HydrophobicContact CB-CB 4.43Å; W121-P146 HydrophobicContact CB-CG 4.11Å; W121-P146 HydrophobicContact CD2-CG 4.37Å; W121-P146 HydrophobicContact CG-CG 3.85Å; T131-P146 WeakPolarHBondContact OG1-CA 3.49Å; T131-P146 WeakPolarHBondContact OG1-CB 3.35Å; S139-P146 WeakPolarHBondContact O-CD 3.44Å; P146-H148 WeakPolarHBondContact CB-O 3.49Å; P146-F149 HydrophobicContact CG-CB 4.32Å
147	T	97.9	Very high	96.9	Very high	57 Å²	57	52.9 Å²	52.9	35%	0.35	29%	0.294	S	S	.	.	S	Bend	trans	-66	-42.4	173.2	-52.7	0	0	0	0	111.5	K130 T131	K130-T147 HydrophobicContact CB-CG2 4.33Å; K130-T147 HydrophobicContact CD-CG2 4.23Å; K130-T147 HydrophobicContact CG-CG2 4.16Å; T131-T147 PolarHBondContact N-OG1 2.9Å; T131-T147 WeakPolarHBondContact O-CA 3.44Å; T131-T147 VanDerWaalsContact O-CB 3.27Å; T131-T147 WeakPolarHBondContact O-CB 3.39Å; T131-T147 PolarHBondContact O-N 3.09Å; T131-T147 PolarHBondContact OG1-N 2.92Å
148	H	98	Very high	97	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.31	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133	174.7	-56	-73.5	0	0	0	109.3	T131 A132 S133 P146 W168	T131-H148 PolarHBondContact O-N 2.92Å; A132-H148 CarbonylContact C-O 3.57Å; A132-H148 WeakPolarHBondContact CA-O 3.38Å; A132-H148 HydrophobicContact CB-CB 4.48Å; S133-H148 PolarHBondContact N-O 2.8Å; P146-H148 WeakPolarHBondContact CB-O 3.49Å; H148-W168 HydrophobicContact CB-CB 4.39Å; H148-W168 HydrophobicContact CB-CD2 3.5Å; H148-W168 HydrophobicContact CB-CE3 3.95Å; H148-W168 HydrophobicContact CB-CG 3.71Å; H148-W168 HydrophobicContact CB-CH2 4.49Å; H148-W168 HydrophobicContact CB-CZ2 4.14Å; H148-W168 HydrophobicContact CB-CZ3 4.42Å; H148-W168 AromaticContact CG-CD1 3.78Å; H148-W168 AromaticContact CG-CG 3.87Å
149	F	98.1	Very high	97	Very high	76 Å²	76	58.8 Å²	58.8	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.2	178.2	69.1	-77.4	0	0	0	112.7	S133 D140 T145 P146 P151	S133-F149 CarbonylContact O-C 3.52Å; S133-F149 WeakPolarHBondContact O-CA 3.45Å; D140-F149 HydrophobicContact CB-CD2 3.9Å; D140-F149 HydrophobicContact CB-CE2 4.01Å; T145-F149 HydrophobicContact CG2-CD1 4.15Å; T145-F149 HydrophobicContact CG2-CD2 4.33Å; T145-F149 HydrophobicContact CG2-CE1 3.75Å; T145-F149 HydrophobicContact CG2-CE2 3.94Å; T145-F149 HydrophobicContact CG2-CG 4.44Å; T145-F149 HydrophobicContact CG2-CZ 3.65Å; P146-F149 HydrophobicContact CG-CB 4.32Å; F149-P151 HydrophobicContact CE2-CG 4.41Å
150	F	97.5	Very high	97.1	Very high	39 Å²	39	63.6 Å²	63.6	17%	0.171	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.9	162.6	-76.9	-68.7	0	0	0	110.4	S133 A134 M135 N164 W168	S133-F150 PolarHBondContact O-N 3.15Å; A134-F150 HydrophobicContact CB-CD2 3.85Å; A134-F150 HydrophobicContact CB-CE2 4.44Å; M135-F150 HydrophobicContact CE-CB 3.93Å; M135-F150 HydrophobicContact CE-CG 4.26Å; M135-F150 HydrophobicContact CG-CB 3.82Å; F150-N164 HydrophobicContact CE2-CB 3.55Å; F150-N164 HydrophobicContact CZ-CB 3.63Å; F150-N164 VanDerWaalsContact CZ-CG 3.48Å; F150-W168 AromaticContact CD2-CH2 3.5Å; F150-W168 HydrophobicContact CD2-CH2 3.5Å; F150-W168 AromaticContact CD2-CZ3 3.97Å; F150-W168 HydrophobicContact CD2-CZ3 3.97Å; F150-W168 AromaticContact CE2-CH2 3.45Å; F150-W168 HydrophobicContact CE2-CH2 3.45Å; F150-W168 VanDerWaalsContact CE2-CH2 3.45Å; F150-W168 HydrophobicContact CE2-CZ2 4.21Å; F150-W168 AromaticContact CE2-CZ3 3.99Å; F150-W168 HydrophobicContact CE2-CZ3 3.99Å; F150-W168 HydrophobicContact CG-CH2 4.15Å; F150-W168 HydrophobicContact CZ-CH2 4.05Å; F150-W168 HydrophobicContact CZ-CZ2 4.42Å
151	P	96.6	Very high	97.1	Very high	81 Å²	81	61.6 Å²	61.6	53%	0.526	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-58.2	146.7	155.1	-18.2	31.6	0	0	0	110	F149 N153	F149-P151 HydrophobicContact CE2-CG 4.41Å; P151-N153 PolarHBondContact O-N 2.96Å
152	Y	96.5	Very high	97.2	Very high	118 Å²	118	61.7 Å²	61.7	46%	0.463	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-58.5	123	178.1	-177.8	-105.5	0	0	0	111.6	M135 D140 P154 Y184	M135-Y152 HydrophobicContact CB-CD2 4.17Å; M135-Y152 HydrophobicContact SD-CD2 4.3Å; D140-Y152 PolarHBondContact OD2-N 3.19Å; Y152-P154 HydrophobicContact CE1-CG 4.3Å; Y152-Y184 HydrophobicContact CE2-CE1 4.11Å
153	N	96.8	Very high	97.4	Very high	74 Å²	74	58.6 Å²	58.6	40%	0.396	32%	0.317	S	S	.	.			trans	-150.7	104.4	175	179.4	-0.7	0	0	0	110.1	M135 P151 A155 V156	M135-N153 HydrophobicContact CE-CB 3.93Å; M135-N153 VanDerWaalsContact CE-O 3.28Å; M135-N153 WeakPolarHBondContact CE-O 3.45Å; M135-N153 PolarHBondContact SD-N 3.46Å; M135-N153 VanDerWaalsContact SD-N 3.41Å; P151-N153 PolarHBondContact O-N 2.96Å; N153-A155 PolarHBondContact O-N 3.49Å; N153-A155 VanDerWaalsContact OD1-CB 3.3Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.49Å; N153-V156 HydrophobicContact CB-CG2 3.98Å; N153-V156 PolarHBondContact O-N 2.76Å; N153-V156 VanDerWaalsContact O-N 3.08Å
154	P	95.1	Very high	97.7	Very high	66 Å²	66	53.8 Å²	53.8	43%	0.429	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.8	-175.1	29.2	-35.7	0	0	0	113.7	Y152	Y152-P154 HydrophobicContact CE1-CG 4.3Å
155	A	97.4	Very high	97.8	Very high	80 Å²	80	51.8 Å²	51.8	66%	0.661	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.7	175	0	0	0	0	0	113.5	N153 T157	N153-A155 PolarHBondContact O-N 3.49Å; N153-A155 VanDerWaalsContact OD1-CB 3.3Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.49Å; A155-T157 PolarHBondContact O-N 2.75Å
156	V	98.3	Very high	97.8	Very high	23 Å²	23	50.5 Å²	50.5	14%	0.139	28%	0.276	C	S	.	.	S	Bend	trans	-76.6	123	177.8	-175.5	0	0	0	0	109.1	M135 N153 Q160 R161	M135-V156 HydrophobicContact CE-CB 3.62Å; M135-V156 HydrophobicContact CE-CG1 4.25Å; M135-V156 HydrophobicContact CE-CG2 3.6Å; N153-V156 HydrophobicContact CB-CG2 3.98Å; N153-V156 PolarHBondContact O-N 2.76Å; N153-V156 VanDerWaalsContact O-N 3.08Å; V156-Q160 HydrophobicContact CG1-CB 3.69Å; V156-R161 HydrophobicContact CB-CG 4.5Å; V156-R161 HydrophobicContact CG1-CG 3.88Å; V156-R161 PolarHBondContact O-NE 2.89Å; V156-R161 PolarHBondContact O-NH2 2.87Å; V156-R161 VanDerWaalsContact O-NH2 3.14Å
157	T	98.4	Very high	97.7	Very high	66 Å²	66	56.1 Å²	56.1	41%	0.405	30%	0.302	S	S	.	.			trans	-71	157.7	-174.7	69.2	0	0	0	0	112.1	A155 Q159 Q160 R161	A155-T157 PolarHBondContact O-N 2.75Å; T157-Q159 PolarHBondContact O-N 3.3Å; T157-Q160 PolarHBondContact O-N 2.93Å; T157-Q160 VanDerWaalsContact O-N 3.11Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 2.83Å; T157-Q160 PolarHBondContact OG1-OE1 3.1Å; T157-R161 WeakPolarHBondContact O-CG 3.45Å; T157-R161 PolarHBondContact O-N 2.76Å
158	F	98.6	Very high	97.7	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-55.1	-42.6	176.1	-176.7	-95.9	0	0	0	111.4	F34 Q160 R161 L162 L183 W185 N213 L216 L217	F34-F158 HydrophobicContact CE1-CD2 4.48Å; F34-F158 AromaticContact CE1-CE2 3.85Å; F34-F158 HydrophobicContact CE1-CE2 3.85Å; F34-F158 HydrophobicContact CE1-CZ 4.28Å; F34-F158 AromaticContact CZ-CE2 3.84Å; F34-F158 HydrophobicContact CZ-CE2 3.84Å; F34-F158 AromaticContact CZ-CZ 3.91Å; F34-F158 HydrophobicContact CZ-CZ 3.91Å; F158-Q160 VanDerWaalsContact C-N 3.35Å; F158-Q160 PolarHBondContact O-N 3.16Å; F158-R161 PolarHBondContact O-N 2.81Å; F158-L162 HydrophobicContact CE1-CB 4.41Å; F158-L162 HydrophobicContact CE1-CD2 3.96Å; F158-L162 VanDerWaalsContact O-CB 3.23Å; F158-L162 WeakPolarHBondContact O-CB 3.4Å; F158-L162 PolarHBondContact O-N 2.82Å; F158-L183 HydrophobicContact CD2-CD2 3.98Å; F158-L183 HydrophobicContact CE2-CD2 3.44Å; F158-L183 VanDerWaalsContact CE2-CD2 3.44Å; F158-L183 HydrophobicContact CZ-CD2 4.2Å; F158-W185 VanDerWaalsContact CA-CZ3 3.48Å; F158-W185 HydrophobicContact CB-CD2 3.87Å; F158-W185 HydrophobicContact CB-CE3 3.67Å; F158-W185 HydrophobicContact CB-CH2 3.79Å; F158-W185 HydrophobicContact CB-CZ2 3.95Å; F158-W185 HydrophobicContact CB-CZ3 3.65Å; F158-W185 HydrophobicContact CD2-CB 3.91Å; F158-W185 AromaticContact CD2-CD2 3.65Å; F158-W185 HydrophobicContact CD2-CD2 3.65Å; F158-W185 AromaticContact CD2-CE3 3.8Å; F158-W185 HydrophobicContact CD2-CE3 3.8Å; F158-W185 AromaticContact CD2-CG 3.71Å; F158-W185 HydrophobicContact CD2-CG 3.71Å; F158-W185 HydrophobicContact CE2-CB 4.18Å; F158-W185 HydrophobicContact CE2-CG 4.35Å; F158-W185 HydrophobicContact CG-CD2 4.21Å; F158-W185 HydrophobicContact CG-CE3 4.24Å; F158-W185 VanDerWaalsContact N-CH2 3.26Å; F158-N213 HydrophobicContact CD1-CB 3.8Å; F158-N213 HydrophobicContact CE1-CB 3.74Å; F158-N213 VanDerWaalsContact CE1-O 3.29Å; F158-N213 WeakPolarHBondContact CE1-O 3.36Å; F158-N213 HydrophobicContact CE2-CB 4.46Å; F158-N213 HydrophobicContact CG-CB 4.2Å; F158-N213 HydrophobicContact CZ-CB 4.09Å; F158-L216 HydrophobicContact CD1-CD2 4.16Å; F158-L217 HydrophobicContact CZ-CB 4.46Å
159	Q	98.4	Very high	97.8	Very high	131 Å²	131	52.7 Å²	52.7	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-61.1	-41	178.3	-174.1	176.2	0.4	0	0	112.5	T157 G163 L216	T157-Q159 PolarHBondContact O-N 3.3Å; Q159-G163 PolarHBondContact O-N 2.87Å; Q159-L216 HydrophobicContact CB-CD2 3.95Å; Q159-L216 HydrophobicContact CG-CD2 4.15Å
160	Q	98.5	Very high	97.7	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-47.5	175.9	-72.9	169.4	-41.8	0	0	111.1	V156 T157 F158 L162 G163 N164	V156-Q160 HydrophobicContact CG1-CB 3.69Å; T157-Q160 PolarHBondContact O-N 2.93Å; T157-Q160 VanDerWaalsContact O-N 3.11Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 2.83Å; T157-Q160 PolarHBondContact OG1-OE1 3.1Å; F158-Q160 VanDerWaalsContact C-N 3.35Å; F158-Q160 PolarHBondContact O-N 3.16Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.38Å; Q160-G163 PolarHBondContact O-N 3.3Å; Q160-N164 PolarHBondContact O-N 3.1Å; Q160-N164 VanDerWaalsContact O-N 3.1Å; Q160-N164 PolarHBondContact O-OD1 2.85Å
161	R	98.6	Very high	97.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-48.1	176.3	-64.8	-179.9	-158.4	-164.9	1.4	111.2	A134 V156 T157 F158 V165 L183 Y184 E186	A134-R161 HydrophobicContact CB-CB 3.96Å; A134-R161 HydrophobicContact CB-CG 4.34Å; V156-R161 HydrophobicContact CB-CG 4.5Å; V156-R161 HydrophobicContact CG1-CG 3.88Å; V156-R161 PolarHBondContact O-NE 2.89Å; V156-R161 PolarHBondContact O-NH2 2.87Å; V156-R161 VanDerWaalsContact O-NH2 3.14Å; T157-R161 WeakPolarHBondContact O-CG 3.45Å; T157-R161 PolarHBondContact O-N 2.76Å; F158-R161 PolarHBondContact O-N 2.81Å; R161-V165 WeakPolarHBondContact O-CB 3.34Å; R161-V165 WeakPolarHBondContact O-CG2 3.45Å; R161-V165 PolarHBondContact O-N 2.78Å; R161-L183 HydrophobicContact CB-CD1 4.46Å; R161-Y184 PolarHBondContact NH1-O 2.9Å; R161-E186 IonicContact CZ-OE1 3.15Å; R161-E186 VanDerWaalsContact CZ-OE1 3.28Å; R161-E186 IonicContact CZ-OE2 2.88Å; R161-E186 IonicContact NH1-OE1 2.66Å; R161-E186 PolarHBondContact NH1-OE1 3.47Å; R161-E186 IonicContact NH1-OE2 3.56Å; R161-E186 PolarHBondContact NH1-OE2 3.27Å; R161-E186 IonicContact NH2-OE1 3.73Å; R161-E186 PolarHBondContact NH2-OE1 3Å; R161-E186 IonicContact NH2-OE2 3.92Å; R161-E186 PolarHBondContact NH2-OE2 3.3Å
162	L	98.7	Very high	97.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-45.6	180	174.6	61.8	0	0	0	112.6	F158 Q160 V165 T166 L183 L216 L217 E220	F158-L162 HydrophobicContact CE1-CB 4.41Å; F158-L162 HydrophobicContact CE1-CD2 3.96Å; F158-L162 VanDerWaalsContact O-CB 3.23Å; F158-L162 WeakPolarHBondContact O-CB 3.4Å; F158-L162 PolarHBondContact O-N 2.82Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.38Å; L162-V165 PolarHBondContact O-N 3.25Å; L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.31Å; L162-T166 PolarHBondContact O-N 3.12Å; L162-T166 PolarHBondContact O-OG1 3.01Å; L162-L183 HydrophobicContact CB-CD1 4.08Å; L162-L183 HydrophobicContact CD1-CD1 4.2Å; L162-L216 HydrophobicContact CD2-CD2 4.44Å; L162-L216 HydrophobicContact CD2-CG 3.91Å; L162-L217 HydrophobicContact CD1-CD1 3.5Å; L162-L217 HydrophobicContact CD2-CB 4.35Å; L162-E220 HydrophobicContact CD2-CB 3.84Å; L162-E220 HydrophobicContact CD2-CG 4.34Å; L162-E220 HydrophobicContact CG-CB 4.16Å; L162-E220 HydrophobicContact CG-CG 4.18Å
163	G	98	Very high	96.3	Very high	18 Å²	18	52.5 Å²	52.5	19%	0.186	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-50.8	178.4	0	0	0	0	0	111.4	Q159 Q160 V165 T166 E167	Q159-G163 PolarHBondContact O-N 2.87Å; Q160-G163 PolarHBondContact O-N 3.3Å; G163-V165 PolarHBondContact O-N 3.29Å; G163-T166 WeakPolarHBondContact O-CB 3.31Å; G163-T166 PolarHBondContact O-N 2.91Å; G163-E167 WeakPolarHBondContact O-CG 3.49Å; G163-E167 PolarHBondContact O-N 3.44Å
164	N	97.8	Very high	95.6	Very high	52 Å²	52	57.9 Å²	57.9	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.3	-78.1	91.8	0	0	0	113.2	F150 Q160 T166 E167 W168	F150-N164 HydrophobicContact CE2-CB 3.55Å; F150-N164 HydrophobicContact CZ-CB 3.63Å; F150-N164 VanDerWaalsContact CZ-CG 3.48Å; Q160-N164 PolarHBondContact O-N 3.1Å; Q160-N164 VanDerWaalsContact O-N 3.1Å; Q160-N164 PolarHBondContact O-OD1 2.85Å; N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.11Å; N164-E167 PolarHBondContact O-N 3.14Å; N164-W168 HydrophobicContact CB-CH2 4.22Å; N164-W168 HydrophobicContact CB-CZ2 4.1Å; N164-W168 HydrophobicContact CB-CZ3 4.47Å; N164-W168 PolarHBondContact O-N 3.49Å
165	V	98.2	Very high	94.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-40.6	176.3	166.9	0	0	0	0	111.3	L30 A134 R161 L162 G163 W168 I169 A181 L183	L30-V165 HydrophobicContact CD1-CG1 3.69Å; A134-V165 HydrophobicContact CB-CG2 3.53Å; R161-V165 WeakPolarHBondContact O-CB 3.34Å; R161-V165 WeakPolarHBondContact O-CG2 3.45Å; R161-V165 PolarHBondContact O-N 2.78Å; L162-V165 PolarHBondContact O-N 3.25Å; G163-V165 PolarHBondContact O-N 3.29Å; V165-W168 HydrophobicContact CG2-CE3 4.02Å; V165-W168 HydrophobicContact CG2-CZ3 4.06Å; V165-W168 PolarHBondContact O-N 2.89Å; V165-I169 HydrophobicContact CG1-CD1 3.88Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.21Å; V165-I169 PolarHBondContact O-N 3.34Å; V165-A181 HydrophobicContact CG1-CB 3.88Å; V165-L183 HydrophobicContact CB-CD1 4.48Å; V165-L183 HydrophobicContact CG2-CD1 4.41Å
166	T	98	Very high	94.5	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-46.7	176.3	-59	0	0	0	0	111	L162 G163 N164 W168 I169 L170 E220 S224 L226	L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.31Å; L162-T166 PolarHBondContact O-N 3.12Å; L162-T166 PolarHBondContact O-OG1 3.01Å; G163-T166 WeakPolarHBondContact O-CB 3.31Å; G163-T166 PolarHBondContact O-N 2.91Å; N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.11Å; T166-W168 PolarHBondContact O-N 3.43Å; T166-I169 PolarHBondContact O-N 2.61Å; T166-L170 HydrophobicContact CG2-CD1 4.29Å; T166-L170 WeakPolarHBondContact O-CG 3.39Å; T166-L170 PolarHBondContact O-N 2.93Å; T166-E220 HydrophobicContact CG2-CG 4.24Å; T166-S224 VanDerWaalsContact CG2-CB 3.43Å; T166-S224 WeakPolarHBondContact CG2-OG 3.05Å; T166-L226 HydrophobicContact CG2-CD1 3.81Å
167	E	97.1	Very high	94.4	Very high	120 Å²	120	60 Å²	60	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-43.2	175.4	-72.7	174.2	179.5	0	0	112.1	G163 N164 I169 L170 G171	G163-E167 WeakPolarHBondContact O-CG 3.49Å; G163-E167 PolarHBondContact O-N 3.44Å; N164-E167 PolarHBondContact O-N 3.14Å; E167-I169 VanDerWaalsContact C-N 3.34Å; E167-I169 PolarHBondContact O-N 2.92Å; E167-L170 PolarHBondContact O-N 3.31Å; E167-G171 PolarHBondContact O-N 2.98Å
168	W	98	Very high	94.4	Very high	43 Å²	43	56.9 Å²	56.9	16%	0.163	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-36.1	177.8	-63	-28.7	0	0	0	112.8	A132 H148 F150 N164 V165 T166 G177 A178	A132-W168 HydrophobicContact CB-CB 4.04Å; A132-W168 HydrophobicContact CB-CD2 4.4Å; A132-W168 HydrophobicContact CB-CE3 3.76Å; H148-W168 HydrophobicContact CB-CB 4.39Å; H148-W168 HydrophobicContact CB-CD2 3.5Å; H148-W168 HydrophobicContact CB-CE3 3.95Å; H148-W168 HydrophobicContact CB-CG 3.71Å; H148-W168 HydrophobicContact CB-CH2 4.49Å; H148-W168 HydrophobicContact CB-CZ2 4.14Å; H148-W168 HydrophobicContact CB-CZ3 4.42Å; H148-W168 AromaticContact CG-CD1 3.78Å; H148-W168 AromaticContact CG-CG 3.87Å; F150-W168 AromaticContact CD2-CH2 3.5Å; F150-W168 HydrophobicContact CD2-CH2 3.5Å; F150-W168 AromaticContact CD2-CZ3 3.97Å; F150-W168 HydrophobicContact CD2-CZ3 3.97Å; F150-W168 AromaticContact CE2-CH2 3.45Å; F150-W168 HydrophobicContact CE2-CH2 3.45Å; F150-W168 VanDerWaalsContact CE2-CH2 3.45Å; F150-W168 HydrophobicContact CE2-CZ2 4.21Å; F150-W168 AromaticContact CE2-CZ3 3.99Å; F150-W168 HydrophobicContact CE2-CZ3 3.99Å; F150-W168 HydrophobicContact CG-CH2 4.15Å; F150-W168 HydrophobicContact CZ-CH2 4.05Å; F150-W168 HydrophobicContact CZ-CZ2 4.42Å; N164-W168 HydrophobicContact CB-CH2 4.22Å; N164-W168 HydrophobicContact CB-CZ2 4.1Å; N164-W168 HydrophobicContact CB-CZ3 4.47Å; N164-W168 PolarHBondContact O-N 3.49Å; V165-W168 HydrophobicContact CG2-CE3 4.02Å; V165-W168 HydrophobicContact CG2-CZ3 4.06Å; V165-W168 PolarHBondContact O-N 2.89Å; T166-W168 PolarHBondContact O-N 3.43Å; W168-G177 CarbonylContact O-C 3.55Å; W168-G177 WeakPolarHBondContact O-CA 3.36Å; W168-A178 PolarHBondContact O-N 3.22Å
169	I	98.3	Very high	94.4	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.046	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-38.9	174.6	-67.3	164.9	0	0	0	111.1	P28 L30 V165 T166 E167 G177 A181 L226 I230	P28-I169 HydrophobicContact CB-CG2 3.84Å; P28-I169 HydrophobicContact CG-CG2 4.12Å; L30-I169 HydrophobicContact CB-CD1 4.3Å; L30-I169 HydrophobicContact CD1-CD1 4.46Å; L30-I169 HydrophobicContact CD2-CD1 4.4Å; V165-I169 HydrophobicContact CG1-CD1 3.88Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.21Å; V165-I169 PolarHBondContact O-N 3.34Å; T166-I169 PolarHBondContact O-N 2.61Å; E167-I169 VanDerWaalsContact C-N 3.34Å; E167-I169 PolarHBondContact O-N 2.92Å; I169-G177 WeakPolarHBondContact O-CA 3.41Å; I169-A181 HydrophobicContact CD1-CB 3.78Å; I169-A181 HydrophobicContact CG1-CB 3.88Å; I169-L226 HydrophobicContact CB-CD1 4.12Å; I169-L226 HydrophobicContact CG2-CD1 3.83Å; I169-L226 HydrophobicContact CG2-CD2 3.94Å; I169-I230 HydrophobicContact CG2-CG2 4.3Å
170	L	96.4	Very high	94.4	Very high	86 Å²	86	52.1 Å²	52.1	45%	0.45	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-38.4	177.6	-74.6	169.6	0	0	0	112.5	T166 E167 L226	T166-L170 HydrophobicContact CG2-CD1 4.29Å; T166-L170 WeakPolarHBondContact O-CG 3.39Å; T166-L170 PolarHBondContact O-N 2.93Å; E167-L170 PolarHBondContact O-N 3.31Å; L170-L226 HydrophobicContact CD2-CD1 4.47Å; L170-L226 HydrophobicContact CD2-CD2 3.69Å; L170-L226 HydrophobicContact CD2-CG 3.97Å; L170-L226 HydrophobicContact CG-CD1 4.31Å; L170-L226 HydrophobicContact CG-CD2 4.29Å; L170-L226 HydrophobicContact CG-CG 4.34Å
171	G	94.2	Very high	94.4	Very high	31 Å²	31	47.3 Å²	47.3	32%	0.32	27%	0.272	S	S	.	.			trans	74.3	-170.2	-167.9	0	0	0	0	0	112.1	E167	E167-G171 PolarHBondContact O-N 2.98Å
172	D	87.8	Confident	94.5	Very high	111 Å²	111	47.3 Å²	47.3	59%	0.594	27%	0.272	S	S	*	.			trans	-112.4	9.8	-172.7	68.3	4.4	0	0	0	113.7	K174 E175	D172-K174 PolarHBondContact O-N 2.95Å; D172-K174 WeakPolarHBondContact OD1-CA 3.26Å; D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 3.43Å; D172-E175 PolarHBondContact OD1-N 3.37Å
173	G	79.3	Confident	94.5	Very high	82 Å²	82	47.2 Å²	47.2	85%	0.845	27%	0.272	S	S	*	.	S	Bend	trans	76.6	-9.8	-177.7	0	0	0	0	0	115.1
174	K	82.6	Confident	94.5	Very high	188 Å²	188	47.1 Å²	47.1	82%	0.817	27%	0.266	S	S	*	.	S	Bend	trans	-98.9	-36.3	170	-63.5	179.2	-178.6	175.7	0	110.9	D172	D172-K174 PolarHBondContact O-N 2.95Å; D172-K174 WeakPolarHBondContact OD1-CA 3.26Å; D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 3.43Å
175	E	80.1	Confident	94.6	Very high	104 Å²	104	46.5 Å²	46.5	49%	0.486	26%	0.26	S	S	.	.	S	Bend	trans	-118.7	141.8	-177.7	-77.2	-70.8	145.7	0	0	110.2	K130 D172	K130-E175 VanDerWaalsContact NZ-CB 3.32Å; K130-E175 IonicContact NZ-OE2 3.16Å; K130-E175 PolarHBondContact NZ-OE2 3.41Å; D172-E175 PolarHBondContact OD1-N 3.37Å
176	P	89.4	Confident	94.6	Very high	95 Å²	95	46.9 Å²	46.9	62%	0.617	26%	0.261	S	S	*	.			trans	-62.5	144	174.8	26.8	-33.2	0	0	0	110.2	K130	K130-P176 WeakPolarHBondContact CD-O 3.21Å; K130-P176 PolarHBondContact NZ-O 2.76Å
177	G	96.8	Very high	94.6	Very high	15 Å²	15	48 Å²	48	16%	0.155	27%	0.267	C	S	.	.			trans	-73.9	178.6	175.9	0	0	0	0	0	113.7	W168 I169	W168-G177 CarbonylContact O-C 3.55Å; W168-G177 WeakPolarHBondContact O-CA 3.36Å; I169-G177 WeakPolarHBondContact O-CA 3.41Å
178	A	98.1	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.6	179.6	0	0	0	0	0	111.8	K130 A132 W168	K130-A178 HydrophobicContact CB-CB 4.48Å; K130-A178 CarbonylContact O-C 3.55Å; K130-A178 VanDerWaalsContact O-CA 3.27Å; K130-A178 WeakPolarHBondContact O-CA 3.39Å; A132-A178 HydrophobicContact CB-CB 3.94Å; W168-A178 PolarHBondContact O-N 3.22Å
179	M	98.3	Very high	94.7	Very high	35 Å²	35	41.1 Å²	41.1	17%	0.172	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-24.3	176.4	-65.3	-60	-62.7	0	0	112.6	T26 P28 L29 Y129 K130 L379	T26-M179 HydrophobicContact CG2-CE 3.82Å; T26-M179 WeakPolarHBondContact O-CE 3.43Å; P28-M179 CarbonylContact C-O 3.45Å; P28-M179 VanDerWaalsContact CA-O 3.23Å; P28-M179 WeakPolarHBondContact CA-O 3.36Å; P28-M179 HydrophobicContact CG-CE 4.41Å; P28-M179 HydrophobicContact CG-SD 4.15Å; L29-M179 PolarHBondContact N-O 2.86Å; Y129-M179 HydrophobicContact CD1-CB 4.23Å; Y129-M179 HydrophobicContact CD1-CG 3.66Å; Y129-M179 HydrophobicContact CD2-CB 3.89Å; Y129-M179 HydrophobicContact CD2-CG 4.21Å; Y129-M179 HydrophobicContact CE1-CG 4.14Å; Y129-M179 HydrophobicContact CE2-CB 4.48Å; Y129-M179 HydrophobicContact CG-CB 3.75Å; Y129-M179 HydrophobicContact CG-CG 3.71Å; K130-M179 PolarHBondContact O-N 3.2Å; M179-L379 HydrophobicContact CB-CD2 4.45Å; M179-L379 WeakPolarHBondContact O-CD2 3.34Å
180	F	98.8	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.9	174	177.1	-118	0	0	0	110.1	L29 L31 L120 W121 A124 T131 A132 T182 M375 L379	L29-F180 HydrophobicContact CB-CD2 4.24Å; L29-F180 HydrophobicContact CD2-CD2 4.03Å; L29-F180 HydrophobicContact CD2-CE2 4.15Å; L29-F180 HydrophobicContact CG-CD2 4.12Å; L29-F180 HydrophobicContact CG-CE2 4.37Å; L29-F180 WeakPolarHBondContact O-CA 3.36Å; L31-F180 HydrophobicContact CB-CE2 4.26Å; L120-F180 HydrophobicContact CB-CD1 4.38Å; L120-F180 HydrophobicContact CB-CE1 3.82Å; L120-F180 HydrophobicContact CB-CZ 4.13Å; L120-F180 HydrophobicContact CD2-CD1 4.34Å; L120-F180 HydrophobicContact CD2-CD2 4.06Å; L120-F180 HydrophobicContact CD2-CE1 3.97Å; L120-F180 HydrophobicContact CD2-CE2 3.68Å; L120-F180 HydrophobicContact CD2-CG 4.37Å; L120-F180 HydrophobicContact CD2-CZ 3.63Å; L120-F180 HydrophobicContact CG-CD1 3.99Å; L120-F180 HydrophobicContact CG-CE1 3.81Å; L120-F180 HydrophobicContact CG-CE2 4.36Å; L120-F180 HydrophobicContact CG-CG 4.33Å; L120-F180 HydrophobicContact CG-CZ 4.01Å; W121-F180 HydrophobicContact CB-CD1 3.98Å; W121-F180 HydrophobicContact CB-CE1 4.11Å; W121-F180 HydrophobicContact CE3-CE1 4.32Å; A124-F180 HydrophobicContact CB-CB 4.42Å; T131-F180 CarbonylContact C-O 3.58Å; T131-F180 WeakPolarHBondContact CA-O 3.27Å; T131-F180 WeakPolarHBondContact CB-O 3.4Å; T131-F180 HydrophobicContact CG2-CB 4.15Å; A132-F180 PolarHBondContact N-O 3.11Å; F180-T182 HydrophobicContact CE1-CG2 3.77Å; F180-T182 HydrophobicContact CE2-CG2 4.24Å; F180-T182 HydrophobicContact CZ-CG2 3.45Å; F180-T182 VanDerWaalsContact CZ-CG2 3.45Å; F180-M375 HydrophobicContact CE2-SD 4.06Å; F180-M375 HydrophobicContact CZ-SD 4.47Å; F180-L379 HydrophobicContact CB-CD1 3.84Å; F180-L379 HydrophobicContact CB-CD2 4.4Å; F180-L379 HydrophobicContact CD2-CD1 3.95Å; F180-L379 HydrophobicContact CG-CD1 4.02Å
181	A	98.9	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.8	179.1	0	0	0	0	0	111.1	L29 L30 L31 A132 V165 I169	L29-A181 PolarHBondContact O-N 3.36Å; L30-A181 WeakPolarHBondContact CA-O 3.31Å; L30-A181 HydrophobicContact CD1-CB 3.79Å; L31-A181 PolarHBondContact N-O 3.42Å; A132-A181 HydrophobicContact CB-CB 3.92Å; A132-A181 VanDerWaalsContact O-CA 3.29Å; A132-A181 WeakPolarHBondContact O-CA 3.47Å; V165-A181 HydrophobicContact CG1-CB 3.88Å; I169-A181 HydrophobicContact CD1-CB 3.78Å; I169-A181 HydrophobicContact CG1-CB 3.88Å
182	T	98.9	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.3	173	51.5	0	0	0	0	110.1	L31 A132 S133 A134 W136 F180	L31-T182 HydrophobicContact CB-CG2 4.28Å; L31-T182 HydrophobicContact CD2-CG2 4.31Å; L31-T182 CarbonylContact O-C 3.52Å; L31-T182 VanDerWaalsContact O-CA 3.26Å; L31-T182 WeakPolarHBondContact O-CA 3.39Å; A132-T182 PolarHBondContact O-N 2.87Å; A132-T182 PolarHBondContact O-OG1 3.14Å; S133-T182 CarbonylContact C-O 3.6Å; S133-T182 WeakPolarHBondContact CA-O 3.37Å; S133-T182 WeakPolarHBondContact CA-OG1 3.37Å; S133-T182 WeakPolarHBondContact CB-OG1 3.4Å; S133-T182 PolarHBondContact OG-OG1 3.3Å; S133-T182 VanDerWaalsContact OG-OG1 3.07Å; A134-T182 PolarHBondContact N-O 2.8Å; W136-T182 HydrophobicContact CD2-CG2 4.02Å; W136-T182 HydrophobicContact CE3-CG2 3.98Å; W136-T182 HydrophobicContact CG-CG2 4.33Å; W136-T182 HydrophobicContact CZ3-CG2 4.46Å; F180-T182 HydrophobicContact CE1-CG2 3.77Å; F180-T182 HydrophobicContact CE2-CG2 4.24Å; F180-T182 HydrophobicContact CZ-CG2 3.45Å; F180-T182 VanDerWaalsContact CZ-CG2 3.45Å
183	L	98.9	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.4	175.3	-170.5	157.4	0	0	0	109.3	L30 L31 V32 S33 A134 F158 R161 L162 V165	L30-L183 HydrophobicContact CD1-CB 4.36Å; L31-L183 PolarHBondContact O-N 2.82Å; V32-L183 CarbonylContact C-O 3.58Å; V32-L183 WeakPolarHBondContact CA-O 3.32Å; V32-L183 HydrophobicContact CG1-CD2 4.03Å; V32-L183 HydrophobicContact CG2-CB 4.31Å; S33-L183 PolarHBondContact N-O 2.92Å; A134-L183 HydrophobicContact CB-CG 4.29Å; F158-L183 HydrophobicContact CD2-CD2 3.98Å; F158-L183 HydrophobicContact CE2-CD2 3.44Å; F158-L183 VanDerWaalsContact CE2-CD2 3.44Å; F158-L183 HydrophobicContact CZ-CD2 4.2Å; R161-L183 HydrophobicContact CB-CD1 4.46Å; L162-L183 HydrophobicContact CB-CD1 4.08Å; L162-L183 HydrophobicContact CD1-CD1 4.2Å; V165-L183 HydrophobicContact CB-CD1 4.48Å; V165-L183 HydrophobicContact CG2-CD1 4.41Å
184	Y	98.9	Very high	96.5	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.1	178	168.1	-99.1	0	0	0	111.6	D35 T71 H75 A134 M135 Y152 R161 E186	D35-Y184 HydrophobicContact CB-CE2 3.72Å; D35-Y184 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y184 VanDerWaalsContact OD2-CZ 3.3Å; D35-Y184 PolarHBondContact OD2-OH 3.44Å; T71-Y184 HydrophobicContact CG2-CE2 4.45Å; H75-Y184 AromaticContact CE1-CD2 3.87Å; H75-Y184 AromaticContact CE1-CE2 3.68Å; H75-Y184 AromaticContact NE2-CD2 3.42Å; H75-Y184 WeakPolarHBondContact NE2-CD2 3.33Å; H75-Y184 AromaticContact NE2-CE2 3.73Å; A134-Y184 PolarHBondContact O-N 3.16Å; M135-Y184 HydrophobicContact CB-CD1 4.31Å; M135-Y184 WeakPolarHBondContact O-CB 3.49Å; Y152-Y184 HydrophobicContact CE2-CE1 4.11Å; R161-Y184 PolarHBondContact NH1-O 2.9Å; Y184-E186 HydrophobicContact CE1-CG 3.68Å
185	W	98.8	Very high	97.2	Very high	39 Å²	39	31.4 Å²	31.4	15%	0.148	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.5	172.3	-168	-112.8	0	0	0	111.5	S33 F34 D35 F158 E187	S33-W185 PolarHBondContact O-N 3.15Å; F34-W185 HydrophobicContact CD1-CB 3.96Å; F34-W185 AromaticContact CD1-CD1 3.8Å; F34-W185 HydrophobicContact CD1-CG 4.22Å; F34-W185 HydrophobicContact CE1-CB 4.21Å; F34-W185 HydrophobicContact CE1-CG 4.32Å; D35-W185 WeakPolarHBondContact CB-O 3.29Å; D35-W185 PolarHBondContact N-O 2.87Å; F158-W185 VanDerWaalsContact CA-CZ3 3.48Å; F158-W185 HydrophobicContact CB-CD2 3.87Å; F158-W185 HydrophobicContact CB-CE3 3.67Å; F158-W185 HydrophobicContact CB-CH2 3.79Å; F158-W185 HydrophobicContact CB-CZ2 3.95Å; F158-W185 HydrophobicContact CB-CZ3 3.65Å; F158-W185 HydrophobicContact CD2-CB 3.91Å; F158-W185 AromaticContact CD2-CD2 3.65Å; F158-W185 HydrophobicContact CD2-CD2 3.65Å; F158-W185 AromaticContact CD2-CE3 3.8Å; F158-W185 HydrophobicContact CD2-CE3 3.8Å; F158-W185 AromaticContact CD2-CG 3.71Å; F158-W185 HydrophobicContact CD2-CG 3.71Å; F158-W185 HydrophobicContact CE2-CB 4.18Å; F158-W185 HydrophobicContact CE2-CG 4.35Å; F158-W185 HydrophobicContact CG-CD2 4.21Å; F158-W185 HydrophobicContact CG-CE3 4.24Å; F158-W185 VanDerWaalsContact N-CH2 3.26Å; W185-E187 VanDerWaalsContact C-N 3.33Å; W185-E187 PolarHBondContact O-N 2.8Å
186	E	98.7	Very high	98.1	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.033	14%	0.14	C	C	.	.			trans	-77.1	-12.7	-170.1	-61.4	75.7	-173.9	0	0	114.7	R161 Y184 D189 R190	R161-E186 IonicContact CZ-OE1 3.15Å; R161-E186 VanDerWaalsContact CZ-OE1 3.28Å; R161-E186 IonicContact CZ-OE2 2.88Å; R161-E186 IonicContact NH1-OE1 2.66Å; R161-E186 PolarHBondContact NH1-OE1 3.47Å; R161-E186 IonicContact NH1-OE2 3.56Å; R161-E186 PolarHBondContact NH1-OE2 3.27Å; R161-E186 IonicContact NH2-OE1 3.73Å; R161-E186 PolarHBondContact NH2-OE1 3Å; R161-E186 IonicContact NH2-OE2 3.92Å; R161-E186 PolarHBondContact NH2-OE2 3.3Å; Y184-E186 HydrophobicContact CE1-CG 3.68Å; E186-D189 PolarHBondContact O-N 3.03Å; E186-R190 PolarHBondContact O-N 2.92Å
187	E	98.8	Very high	98.5	Very high	27 Å²	27	21.9 Å²	21.9	13%	0.126	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	146.2	178.4	-66.5	-69.2	176.7	0	0	110.5	F34 D35 W185 S191 V210	F34-E187 WeakPolarHBondContact CB-O 3.47Å; D35-E187 CarbonylContact O-C 3.52Å; W185-E187 VanDerWaalsContact C-N 3.33Å; W185-E187 PolarHBondContact O-N 2.8Å; E187-S191 VanDerWaalsContact CD-OG 3.28Å; E187-S191 PolarHBondContact OE1-OG 2.96Å; E187-S191 WeakPolarHBondContact OE2-CB 3.14Å; E187-S191 PolarHBondContact OE2-N 3.48Å; E187-S191 PolarHBondContact OE2-OG 2.95Å; E187-V210 HydrophobicContact CB-CG2 3.95Å
188	P	98.6	Very high	98.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.7	4.2	10.5	35.3	-39.4	0	0	0	117.3	D35 F37 Y41 R190 S191 G192 M203 V206 L207 V210	D35-P188 WeakPolarHBondContact O-CD 3.28Å; D35-P188 VanDerWaalsContact O-N 3.09Å; F37-P188 HydrophobicContact CB-CG 3.94Å; F37-P188 HydrophobicContact CG-CG 4.13Å; Y41-P188 HydrophobicContact CD2-CG 4.46Å; Y41-P188 HydrophobicContact CE2-CG 4.2Å; P188-R190 PolarHBondContact O-N 2.52Å; P188-S191 PolarHBondContact O-N 3.42Å; P188-G192 PolarHBondContact O-N 3.47Å; P188-M203 HydrophobicContact CB-CE 4.09Å; P188-V206 HydrophobicContact CB-CG1 3.92Å; P188-L207 HydrophobicContact CB-CD2 3.7Å; P188-L207 HydrophobicContact CG-CD2 3.81Å; P188-V210 HydrophobicContact CB-CG2 4.37Å
189	D	98.8	Very high	98.5	Very high	17 Å²	17	29 Å²	29	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-54.6	-52.9	-176.3	178.2	70.8	0	0	0	113	D35 E186 S191 G192 H193 H238 M240 H337	D35-D189 HydrophobicContact CB-CB 3.74Å; D35-D189 WeakPolarHBondContact O-CB 3.3Å; D35-D189 PolarHBondContact O-N 3.44Å; D35-D189 WeakPolarHBondContact OD1-CB 3.46Å; E186-D189 PolarHBondContact O-N 3.03Å; D189-S191 VanDerWaalsContact C-N 3.29Å; D189-S191 PolarHBondContact O-N 3.03Å; D189-G192 CarbonylContact O-C 3.5Å; D189-G192 WeakPolarHBondContact O-CA 3.35Å; D189-G192 PolarHBondContact O-N 3.09Å; D189-H193 PolarHBondContact O-N 3.49Å; D189-H193 IonicContact OD1-CD2 3.59Å; D189-H193 IonicContact OD1-NE2 2.85Å; D189-H193 IonicContact OD2-CD2 2.72Å; D189-H193 PolarHBondContact OD2-CD2 3.34Å; D189-H193 IonicContact OD2-NE2 2.76Å; D189-H193 PolarHBondContact OD2-NE2 2.84Å; D189-H238 IonicContact OD1-CE1 2.52Å; D189-H238 PolarHBondContact OD1-CE1 3.4Å; D189-M240 WeakPolarHBondContact OD1-CE 3.38Å; D189-H337 IonicContact OD1-CD2 2.67Å; D189-H337 PolarHBondContact OD1-CD2 3.33Å; D189-H337 IonicContact OD1-NE2 3.85Å; D189-H337 PolarHBondContact OD1-NE2 3.32Å
190	R	98.4	Very high	98.4	Very high	121 Å²	121	30.6 Å²	30.6	46%	0.457	15%	0.154	S	C	.	.	H	α-helix	trans	-53.7	-47.7	-178	178.5	-171.7	-61.6	179.1	4.7	111.7	E186 P188 A194	E186-R190 PolarHBondContact O-N 2.92Å; P188-R190 PolarHBondContact O-N 2.52Å; R190-A194 PolarHBondContact O-N 3.27Å; R190-A194 VanDerWaalsContact O-N 3.16Å
191	S	98.7	Very high	98.4	Very high	16 Å²	16	35.4 Å²	35.4	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-74.1	-32.1	178	-65.8	0	0	0	0	112.8	E187 P188 D189 H193 A194 F195 V206	E187-S191 VanDerWaalsContact CD-OG 3.28Å; E187-S191 PolarHBondContact OE1-OG 2.96Å; E187-S191 WeakPolarHBondContact OE2-CB 3.14Å; E187-S191 PolarHBondContact OE2-N 3.48Å; E187-S191 PolarHBondContact OE2-OG 2.95Å; P188-S191 PolarHBondContact O-N 3.42Å; D189-S191 VanDerWaalsContact C-N 3.29Å; D189-S191 PolarHBondContact O-N 3.03Å; S191-H193 VanDerWaalsContact C-N 3.31Å; S191-H193 PolarHBondContact O-N 2.8Å; S191-A194 PolarHBondContact O-N 2.79Å; S191-A194 VanDerWaalsContact O-N 3.13Å; S191-F195 WeakPolarHBondContact O-CD2 3.49Å; S191-F195 PolarHBondContact O-N 3.28Å; S191-V206 VanDerWaalsContact CB-CG2 3.46Å; S191-V206 WeakPolarHBondContact OG-CG2 3.38Å
192	G	98.6	Very high	98.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-41.6	171.6	0	0	0	0	0	111.9	P188 D189 G196 G335	P188-G192 PolarHBondContact O-N 3.47Å; D189-G192 CarbonylContact O-C 3.5Å; D189-G192 WeakPolarHBondContact O-CA 3.35Å; D189-G192 PolarHBondContact O-N 3.09Å; G192-G196 WeakPolarHBondContact O-CA 3.32Å; G192-G196 PolarHBondContact O-N 2.93Å; G192-G335 WeakPolarHBondContact O-CA 3.47Å; G192-G335 PolarHBondContact O-N 3.17Å
193	H	98.6	Very high	98.3	Very high	24 Å²	24	36.2 Å²	36.2	11%	0.111	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-42.2	170.8	-78.2	-39.6	0	0	0	113.1	D189 S191 R333 L334 G335 D336 H337	D189-H193 PolarHBondContact O-N 3.49Å; D189-H193 IonicContact OD1-CD2 3.59Å; D189-H193 IonicContact OD1-NE2 2.85Å; D189-H193 IonicContact OD2-CD2 2.72Å; D189-H193 PolarHBondContact OD2-CD2 3.34Å; D189-H193 IonicContact OD2-NE2 2.76Å; D189-H193 PolarHBondContact OD2-NE2 2.84Å; S191-H193 VanDerWaalsContact C-N 3.31Å; S191-H193 PolarHBondContact O-N 2.8Å; H193-R333 HydrophobicContact CB-CB 4.49Å; H193-R333 PolarHBondContact CD2-NH1 3.27Å; H193-R333 VanDerWaalsContact CE1-CD 3.48Å; H193-R333 WeakPolarHBondContact CE1-CD 3.47Å; H193-R333 PolarHBondContact CE1-NH1 3.24Å; H193-R333 WeakPolarHBondContact ND1-CD 3.45Å; H193-R333 PolarHBondContact NE2-NH1 2.63Å; H193-L334 PolarHBondContact O-N 2.85Å; H193-G335 WeakPolarHBondContact CA-O 3.5Å; H193-G335 PolarHBondContact ND1-O 2.9Å; H193-G335 PolarHBondContact O-N 3.19Å; H193-D336 IonicContact CE1-OD1 3.64Å; H193-H337 AromaticContact CE1-CD2 3.21Å; H193-H337 PolarHBondContact CE1-CD2 3.08Å; H193-H337 AromaticContact CE1-NE2 3.38Å; H193-H337 PolarHBondContact CE1-NE2 3.08Å; H193-H337 AromaticContact NE2-CD2 3.53Å; H193-H337 AromaticContact NE2-NE2 3.23Å; H193-H337 PolarHBondContact NE2-NE2 3.09Å
194	A	98.4	Very high	98.3	Very high	55 Å²	55	39.3 Å²	39.3	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-72.6	-37.2	-175.7	0	0	0	0	0	113.6	R190 S191 L334	R190-A194 PolarHBondContact O-N 3.27Å; R190-A194 VanDerWaalsContact O-N 3.16Å; S191-A194 PolarHBondContact O-N 2.79Å; S191-A194 VanDerWaalsContact O-N 3.13Å; A194-L334 WeakPolarHBondContact O-CD1 3.27Å
195	F	98.1	Very high	98.3	Very high	85 Å²	85	45.3 Å²	45.3	37%	0.373	24%	0.235	S	C	.	.	H	α-helix	trans	-114.3	-23.6	-172.3	-55.7	-51.2	0	0	0	114.2	S191 N199 A202 V206	S191-F195 WeakPolarHBondContact O-CD2 3.49Å; S191-F195 PolarHBondContact O-N 3.28Å; F195-N199 HydrophobicContact CB-CB 4.13Å; F195-N199 WeakPolarHBondContact O-CB 3.36Å; F195-A202 HydrophobicContact CB-CB 4.05Å; F195-A202 HydrophobicContact CD1-CB 4.24Å; F195-A202 HydrophobicContact CD2-CB 3.71Å; F195-A202 HydrophobicContact CE2-CB 4.19Å; F195-A202 HydrophobicContact CG-CB 3.73Å; F195-V206 HydrophobicContact CE2-CG2 4.43Å
196	G	98	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.			trans	80.7	146.8	-168.6	0	0	0	0	0	112.8	G192 E198 N199 Q242	G192-G196 WeakPolarHBondContact O-CA 3.32Å; G192-G196 PolarHBondContact O-N 2.93Å; G196-E198 PolarHBondContact O-N 3.2Å; G196-N199 PolarHBondContact O-N 2.9Å; G196-Q242 VanDerWaalsContact CA-OE1 3.26Å
197	P	97.8	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.9	-175.6	30.1	-37.5	0	0	0	113.8	Y41 R44 M240 Q242	Y41-P197 HydrophobicContact CE1-CB 4.33Å; Y41-P197 VanDerWaalsContact OH-CB 3.23Å; Y41-P197 WeakPolarHBondContact OH-CB 3.25Å; R44-P197 PolarHBondContact NH2-O 3.02Å; P197-M240 HydrophobicContact CB-CB 4.44Å; P197-M240 HydrophobicContact CB-CG 4.22Å; P197-M240 HydrophobicContact CG-CG 4.1Å; P197-Q242 HydrophobicContact CG-CB 4.08Å
198	E	97.4	Very high	98.3	Very high	97 Å²	97	47.9 Å²	47.9	45%	0.453	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.3	179.5	-56.8	-47.8	133.1	0	0	113.5	R44 G196 T200 Q242	R44-E198 IonicContact CZ-OE1 3.45Å; R44-E198 IonicContact CZ-OE2 3.44Å; R44-E198 IonicContact NH1-OE1 3.49Å; R44-E198 PolarHBondContact NH1-OE1 3.15Å; R44-E198 IonicContact NH1-OE2 3.86Å; R44-E198 IonicContact NH2-OE1 3.38Å; R44-E198 PolarHBondContact NH2-OE1 3.3Å; R44-E198 IonicContact NH2-OE2 3.29Å; R44-E198 PolarHBondContact NH2-OE2 2.86Å; G196-E198 PolarHBondContact O-N 3.2Å; E198-T200 PolarHBondContact O-N 3.14Å; E198-Q242 HydrophobicContact CB-CG 4.47Å; E198-Q242 HydrophobicContact CG-CB 3.93Å; E198-Q242 HydrophobicContact CG-CG 4.26Å
199	N	97.9	Very high	98.3	Very high	66 Å²	66	53.6 Å²	53.6	35%	0.353	27%	0.274	S	S	.	.			trans	-79.1	74.5	167.8	-170	-24.7	0	0	0	110.4	F195 G196 T201 A202 M203	F195-N199 HydrophobicContact CB-CB 4.13Å; F195-N199 WeakPolarHBondContact O-CB 3.36Å; G196-N199 PolarHBondContact O-N 2.9Å; N199-T201 PolarHBondContact O-N 3.16Å; N199-A202 HydrophobicContact CB-CB 4.41Å; N199-A202 PolarHBondContact O-N 3.13Å; N199-A202 WeakPolarHBondContact OD1-CB 3.27Å; N199-A202 PolarHBondContact OD1-N 3Å; N199-A202 VanDerWaalsContact OD1-N 3.13Å; N199-M203 WeakPolarHBondContact O-CB 3.27Å; N199-M203 WeakPolarHBondContact O-CG 3.35Å; N199-M203 PolarHBondContact O-N 2.76Å
200	T	96.9	Very high	98.3	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-32.5	-174.5	57.3	0	0	0	0	113	E198 T204	E198-T200 PolarHBondContact O-N 3.14Å; T200-T204 VanDerWaalsContact O-CB 3.25Å; T200-T204 WeakPolarHBondContact O-CB 3.42Å; T200-T204 PolarHBondContact O-N 3.2Å; T200-T204 PolarHBondContact O-OG1 3.14Å
201	T	97.8	Very high	98.3	Very high	101 Å²	101	47.2 Å²	47.2	62%	0.62	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-47.2	177.3	-59.4	0	0	0	0	112.3	N199	N199-T201 PolarHBondContact O-N 3.16Å
202	A	98.1	Very high	98.3	Very high	17 Å²	17	49.8 Å²	49.8	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-46.5	177.2	0	0	0	0	0	110.7	F195 N199 T204 K205 V206	F195-A202 HydrophobicContact CB-CB 4.05Å; F195-A202 HydrophobicContact CD1-CB 4.24Å; F195-A202 HydrophobicContact CD2-CB 3.71Å; F195-A202 HydrophobicContact CE2-CB 4.19Å; F195-A202 HydrophobicContact CG-CB 3.73Å; N199-A202 HydrophobicContact CB-CB 4.41Å; N199-A202 PolarHBondContact O-N 3.13Å; N199-A202 WeakPolarHBondContact OD1-CB 3.27Å; N199-A202 PolarHBondContact OD1-N 3Å; N199-A202 VanDerWaalsContact OD1-N 3.13Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.62Å; A202-K205 WeakPolarHBondContact O-CB 3.48Å; A202-K205 PolarHBondContact O-N 2.91Å; A202-K205 VanDerWaalsContact O-N 3.07Å; A202-V206 PolarHBondContact O-N 3.45Å
203	M	98.5	Very high	98.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-30.2	-178.9	-67.9	-53.2	-61.1	0	0	113.1	Y41 F45 P188 N199 K205 V206 L207	Y41-M203 HydrophobicContact CE2-CE 4.29Å; F45-M203 HydrophobicContact CE1-CB 3.96Å; F45-M203 HydrophobicContact CZ-CB 3.73Å; P188-M203 HydrophobicContact CB-CE 4.09Å; N199-M203 WeakPolarHBondContact O-CB 3.27Å; N199-M203 WeakPolarHBondContact O-CG 3.35Å; N199-M203 PolarHBondContact O-N 2.76Å; M203-K205 VanDerWaalsContact C-N 3.26Å; M203-K205 PolarHBondContact O-N 2.92Å; M203-V206 HydrophobicContact CE-CG1 4.45Å; M203-V206 PolarHBondContact O-N 2.89Å; M203-L207 HydrophobicContact CE-CG 4.33Å; M203-L207 VanDerWaalsContact O-CB 3.28Å; M203-L207 WeakPolarHBondContact O-CB 3.31Å; M203-L207 WeakPolarHBondContact O-CG 3.4Å; M203-L207 PolarHBondContact O-N 3.12Å
204	T	98.6	Very high	98.3	Very high	65 Å²	65	50.1 Å²	50.1	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-38.2	173.6	-64.4	0	0	0	0	111.6	F45 T200 A202 K208	F45-T204 WeakPolarHBondContact CE1-OG1 3.45Å; T200-T204 VanDerWaalsContact O-CB 3.25Å; T200-T204 WeakPolarHBondContact O-CB 3.42Å; T200-T204 PolarHBondContact O-N 3.2Å; T200-T204 PolarHBondContact O-OG1 3.14Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.62Å; T204-K208 VanDerWaalsContact O-CB 3.27Å; T204-K208 WeakPolarHBondContact O-CB 3.48Å; T204-K208 PolarHBondContact O-N 3.08Å; T204-K208 VanDerWaalsContact O-N 3.07Å
205	K	98.4	Very high	98.3	Very high	143 Å²	143	48.2 Å²	48.2	62%	0.622	25%	0.25	S	C	*	.	H	α-helix	trans	-70.3	-47.3	178.6	-62	179	-177.3	178.2	0	111	A202 M203 L207 K208 E209	A202-K205 WeakPolarHBondContact O-CB 3.48Å; A202-K205 PolarHBondContact O-N 2.91Å; A202-K205 VanDerWaalsContact O-N 3.07Å; M203-K205 VanDerWaalsContact C-N 3.26Å; M203-K205 PolarHBondContact O-N 2.92Å; K205-L207 PolarHBondContact O-N 2.84Å; K205-K208 WeakPolarHBondContact O-CB 3.38Å; K205-K208 PolarHBondContact O-N 3.26Å; K205-E209 WeakPolarHBondContact O-CG 3.41Å; K205-E209 PolarHBondContact O-N 2.88Å
206	V	98.6	Very high	98.4	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-49.1	179.1	176.4	0	0	0	0	110.8	P188 S191 F195 A202 M203 K208 E209 V210	P188-V206 HydrophobicContact CB-CG1 3.92Å; S191-V206 VanDerWaalsContact CB-CG2 3.46Å; S191-V206 WeakPolarHBondContact OG-CG2 3.38Å; F195-V206 HydrophobicContact CE2-CG2 4.43Å; A202-V206 PolarHBondContact O-N 3.45Å; M203-V206 HydrophobicContact CE-CG1 4.45Å; M203-V206 PolarHBondContact O-N 2.89Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 2.99Å; V206-E209 WeakPolarHBondContact O-CA 3.46Å; V206-E209 WeakPolarHBondContact O-CB 3.44Å; V206-E209 PolarHBondContact O-N 3.17Å; V206-V210 WeakPolarHBondContact O-CG2 3.39Å; V206-V210 PolarHBondContact O-N 3.39Å
207	L	98.6	Very high	98.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-71.9	-27.5	-177.3	-71.7	178.1	0	0	0	112.7	F37 Y41 F45 M47 P188 M203 K205 V210 D211	F37-L207 HydrophobicContact CE2-CD2 4.34Å; Y41-L207 HydrophobicContact CD1-CD1 4.37Å; Y41-L207 HydrophobicContact CD2-CD1 3.72Å; Y41-L207 HydrophobicContact CD2-CD2 3.75Å; Y41-L207 HydrophobicContact CD2-CG 4.38Å; Y41-L207 HydrophobicContact CE2-CD1 4.29Å; Y41-L207 HydrophobicContact CE2-CD2 4.27Å; Y41-L207 HydrophobicContact CG-CD1 3.76Å; F45-L207 HydrophobicContact CB-CB 4.45Å; F45-L207 HydrophobicContact CB-CD1 4.03Å; F45-L207 HydrophobicContact CD1-CD1 3.99Å; F45-L207 HydrophobicContact CD2-CD1 3.09Å; F45-L207 HydrophobicContact CE1-CD1 4.21Å; F45-L207 HydrophobicContact CE2-CD1 3.36Å; F45-L207 HydrophobicContact CG-CB 4.45Å; F45-L207 HydrophobicContact CG-CD1 3.43Å; F45-L207 VanDerWaalsContact CG-CD1 3.43Å; F45-L207 HydrophobicContact CZ-CD1 3.92Å; M47-L207 HydrophobicContact CE-CB 3.6Å; M47-L207 HydrophobicContact CE-CD1 3.94Å; M47-L207 HydrophobicContact CE-CD2 3.88Å; M47-L207 HydrophobicContact CE-CG 3.99Å; P188-L207 HydrophobicContact CB-CD2 3.7Å; P188-L207 HydrophobicContact CG-CD2 3.81Å; M203-L207 HydrophobicContact CE-CG 4.33Å; M203-L207 VanDerWaalsContact O-CB 3.28Å; M203-L207 WeakPolarHBondContact O-CB 3.31Å; M203-L207 WeakPolarHBondContact O-CG 3.4Å; M203-L207 PolarHBondContact O-N 3.12Å; K205-L207 PolarHBondContact O-N 2.84Å; L207-V210 PolarHBondContact O-N 3.25Å; L207-D211 WeakPolarHBondContact O-CB 3.44Å; L207-D211 PolarHBondContact O-N 3.05Å
208	K	98.7	Very high	98.4	Very high	114 Å²	114	46.8 Å²	46.8	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-44	166.3	-168.4	-156.7	174	-54.7	0	111	T204 K205 V206 V210 D211 D212	T204-K208 VanDerWaalsContact O-CB 3.27Å; T204-K208 WeakPolarHBondContact O-CB 3.48Å; T204-K208 PolarHBondContact O-N 3.08Å; T204-K208 VanDerWaalsContact O-N 3.07Å; K205-K208 WeakPolarHBondContact O-CB 3.38Å; K205-K208 PolarHBondContact O-N 3.26Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 2.99Å; K208-V210 VanDerWaalsContact C-N 3.34Å; K208-D211 PolarHBondContact O-N 3.08Å; K208-D212 IonicContact NZ-OD1 3.28Å; K208-D212 PolarHBondContact NZ-OD1 3.34Å; K208-D212 IonicContact NZ-OD2 2.81Å; K208-D212 PolarHBondContact NZ-OD2 3.33Å; K208-D212 WeakPolarHBondContact O-CB 3.45Å; K208-D212 PolarHBondContact O-N 3.5Å
209	E	98.5	Very high	98.5	Very high	121 Å²	121	45.4 Å²	45.4	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-64.4	-38.3	176.7	-69.1	172.8	-166.7	0	0	112.2	K205 V206 D212 N213	K205-E209 WeakPolarHBondContact O-CG 3.41Å; K205-E209 PolarHBondContact O-N 2.88Å; V206-E209 WeakPolarHBondContact O-CA 3.46Å; V206-E209 WeakPolarHBondContact O-CB 3.44Å; V206-E209 PolarHBondContact O-N 3.17Å; E209-D212 PolarHBondContact O-N 3.48Å; E209-N213 PolarHBondContact O-N 2.88Å
210	V	98.8	Very high	98.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-46.4	173	172.2	0	0	0	0	111	F34 F37 E187 P188 V206 L207 K208 N213 I214	F34-V210 HydrophobicContact CB-CG1 4.49Å; F34-V210 HydrophobicContact CD1-CG1 3.73Å; F34-V210 HydrophobicContact CE1-CG1 4.1Å; F34-V210 HydrophobicContact CG-CG1 4.09Å; F37-V210 HydrophobicContact CD1-CG1 3.78Å; F37-V210 HydrophobicContact CE1-CG1 3.47Å; F37-V210 VanDerWaalsContact CE1-CG1 3.47Å; F37-V210 HydrophobicContact CZ-CG1 4.37Å; E187-V210 HydrophobicContact CB-CG2 3.95Å; P188-V210 HydrophobicContact CB-CG2 4.37Å; V206-V210 WeakPolarHBondContact O-CG2 3.39Å; V206-V210 PolarHBondContact O-N 3.39Å; L207-V210 PolarHBondContact O-N 3.25Å; K208-V210 VanDerWaalsContact C-N 3.34Å; V210-N213 WeakPolarHBondContact O-CB 3.37Å; V210-N213 PolarHBondContact O-N 2.67Å; V210-I214 HydrophobicContact CG1-CD1 4.49Å; V210-I214 WeakPolarHBondContact O-CG1 3.32Å; V210-I214 PolarHBondContact O-N 3.35Å
211	D	98.9	Very high	98.6	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-36.9	176.3	-170	74.5	0	0	0	112.3	M47 P48 N49 L50 L207 K208 N213 I214 G215	M47-D211 WeakPolarHBondContact CA-OD1 3.48Å; M47-D211 HydrophobicContact SD-CB 3.81Å; P48-D211 WeakPolarHBondContact CD-OD2 3.4Å; P48-D211 WeakPolarHBondContact CG-OD2 3.43Å; N49-D211 WeakPolarHBondContact CB-O 3.33Å; N49-D211 WeakPolarHBondContact CB-OD2 3.48Å; N49-D211 PolarHBondContact N-OD1 2.85Å; N49-D211 VanDerWaalsContact N-OD1 3.13Å; N49-D211 PolarHBondContact N-OD2 3.48Å; N49-D211 PolarHBondContact ND2-O 2.91Å; N49-D211 PolarHBondContact ND2-OD2 2.69Å; L50-D211 PolarHBondContact N-OD1 2.89Å; L207-D211 WeakPolarHBondContact O-CB 3.44Å; L207-D211 PolarHBondContact O-N 3.05Å; K208-D211 PolarHBondContact O-N 3.08Å; D211-N213 VanDerWaalsContact C-N 3.31Å; D211-N213 PolarHBondContact O-N 2.85Å; D211-I214 WeakPolarHBondContact O-CB 3.37Å; D211-I214 PolarHBondContact O-N 3.02Å; D211-I214 VanDerWaalsContact O-N 3.16Å; D211-G215 PolarHBondContact O-N 3.37Å
212	D	98.9	Very high	98.6	Very high	70 Å²	70	41.1 Å²	41.1	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-39.1	172.7	-69.8	-19.9	0	0	0	110.9	K208 E209 G215 L216	K208-D212 IonicContact NZ-OD1 3.28Å; K208-D212 PolarHBondContact NZ-OD1 3.34Å; K208-D212 IonicContact NZ-OD2 2.81Å; K208-D212 PolarHBondContact NZ-OD2 3.33Å; K208-D212 WeakPolarHBondContact O-CB 3.45Å; K208-D212 PolarHBondContact O-N 3.5Å; E209-D212 PolarHBondContact O-N 3.48Å; D212-G215 CarbonylContact O-C 3.52Å; D212-G215 WeakPolarHBondContact O-CA 3.04Å; D212-G215 PolarHBondContact O-N 3.35Å; D212-G215 VanDerWaalsContact O-N 3.17Å; D212-L216 PolarHBondContact O-N 3.16Å
213	N	98.9	Very high	98.6	Very high	33 Å²	33	48 Å²	48	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-35.7	173.6	-80.2	-22.3	0	0	0	112.4	F34 F158 E209 V210 D211 G215 L216 L217	F34-N213 HydrophobicContact CE1-CB 4.08Å; F34-N213 HydrophobicContact CZ-CB 4.35Å; F158-N213 HydrophobicContact CD1-CB 3.8Å; F158-N213 HydrophobicContact CE1-CB 3.74Å; F158-N213 VanDerWaalsContact CE1-O 3.29Å; F158-N213 WeakPolarHBondContact CE1-O 3.36Å; F158-N213 HydrophobicContact CE2-CB 4.46Å; F158-N213 HydrophobicContact CG-CB 4.2Å; F158-N213 HydrophobicContact CZ-CB 4.09Å; E209-N213 PolarHBondContact O-N 2.88Å; V210-N213 WeakPolarHBondContact O-CB 3.37Å; V210-N213 PolarHBondContact O-N 2.67Å; D211-N213 VanDerWaalsContact C-N 3.31Å; D211-N213 PolarHBondContact O-N 2.85Å; N213-G215 VanDerWaalsContact C-N 3.32Å; N213-L216 PolarHBondContact O-N 3.27Å; N213-L217 WeakPolarHBondContact O-CB 3.43Å; N213-L217 PolarHBondContact O-N 3.27Å
214	I	98.9	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-41.1	170.4	-65.6	168.3	0	0	0	110	F34 F37 N49 L50 L53 V210 D211 L216 L217 M218	F34-I214 HydrophobicContact CE2-CD1 4.15Å; F34-I214 HydrophobicContact CE2-CG1 3.61Å; F34-I214 HydrophobicContact CZ-CD1 4.49Å; F34-I214 HydrophobicContact CZ-CG1 3.65Å; F37-I214 HydrophobicContact CE1-CD1 4.32Å; N49-I214 HydrophobicContact CB-CB 4.36Å; N49-I214 HydrophobicContact CB-CG2 4.17Å; L50-I214 HydrophobicContact CB-CD1 3.92Å; L50-I214 HydrophobicContact CD1-CD1 4.21Å; L50-I214 HydrophobicContact CD2-CD1 4.36Å; L50-I214 HydrophobicContact CG-CD1 4.38Å; L53-I214 HydrophobicContact CD1-CG2 4.04Å; V210-I214 HydrophobicContact CG1-CD1 4.49Å; V210-I214 WeakPolarHBondContact O-CG1 3.32Å; V210-I214 PolarHBondContact O-N 3.35Å; D211-I214 WeakPolarHBondContact O-CB 3.37Å; D211-I214 PolarHBondContact O-N 3.02Å; D211-I214 VanDerWaalsContact O-N 3.16Å; I214-L216 VanDerWaalsContact C-N 3.35Å; I214-L216 PolarHBondContact O-N 3.29Å; I214-L217 WeakPolarHBondContact O-CB 3.36Å; I214-L217 PolarHBondContact O-N 2.83Å; I214-M218 HydrophobicContact CG2-SD 4.31Å; I214-M218 VanDerWaalsContact O-CG 3.31Å; I214-M218 WeakPolarHBondContact O-CG 3.36Å; I214-M218 PolarHBondContact O-N 3.2Å
215	G	98.8	Very high	98.5	Very high	15 Å²	15	48.2 Å²	48.2	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-42.7	172.1	0	0	0	0	0	112.8	N49 D211 D212 N213 M218 S219	N49-G215 WeakPolarHBondContact OD1-CA 3.44Å; D211-G215 PolarHBondContact O-N 3.37Å; D212-G215 CarbonylContact O-C 3.52Å; D212-G215 WeakPolarHBondContact O-CA 3.04Å; D212-G215 PolarHBondContact O-N 3.35Å; D212-G215 VanDerWaalsContact O-N 3.17Å; N213-G215 VanDerWaalsContact C-N 3.32Å; G215-M218 PolarHBondContact O-N 2.98Å; G215-S219 WeakPolarHBondContact O-CB 3.45Å; G215-S219 PolarHBondContact O-N 2.84Å
216	L	98.8	Very high	98.4	Very high	50 Å²	50	42.1 Å²	42.1	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-43.9	175.7	-179.9	61.2	0	0	0	111.8	F158 Q159 L162 D212 N213 I214 M218 S219 E220	F158-L216 HydrophobicContact CD1-CD2 4.16Å; Q159-L216 HydrophobicContact CB-CD2 3.95Å; Q159-L216 HydrophobicContact CG-CD2 4.15Å; L162-L216 HydrophobicContact CD2-CD2 4.44Å; L162-L216 HydrophobicContact CD2-CG 3.91Å; D212-L216 PolarHBondContact O-N 3.16Å; N213-L216 PolarHBondContact O-N 3.27Å; I214-L216 VanDerWaalsContact C-N 3.35Å; I214-L216 PolarHBondContact O-N 3.29Å; L216-M218 PolarHBondContact O-N 3.36Å; L216-S219 PolarHBondContact O-N 2.75Å; L216-E220 WeakPolarHBondContact O-CB 3.36Å; L216-E220 PolarHBondContact O-N 2.8Å
217	L	98.8	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.2	-52.4	172.1	167.6	65	0	0	0	111.1	L30 V32 F158 L162 N213 I214 S219 E220 L221 L232 V234	L30-L217 HydrophobicContact CD2-CD1 4.02Å; V32-L217 HydrophobicContact CG1-CD2 4.47Å; V32-L217 HydrophobicContact CG2-CD1 4.49Å; V32-L217 HydrophobicContact CG2-CD2 3.97Å; F158-L217 HydrophobicContact CZ-CB 4.46Å; L162-L217 HydrophobicContact CD1-CD1 3.5Å; L162-L217 HydrophobicContact CD2-CB 4.35Å; N213-L217 WeakPolarHBondContact O-CB 3.43Å; N213-L217 PolarHBondContact O-N 3.27Å; I214-L217 WeakPolarHBondContact O-CB 3.36Å; I214-L217 PolarHBondContact O-N 2.83Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 3.23Å; L217-E220 PolarHBondContact O-N 2.79Å; L217-L221 HydrophobicContact CD1-CD1 3.83Å; L217-L221 HydrophobicContact CD1-CG 4.09Å; L217-L221 HydrophobicContact CG-CD1 4.25Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.8Å; L217-L232 HydrophobicContact CD2-CD1 4.19Å; L217-L232 HydrophobicContact CD2-CD2 4.1Å; L217-L232 HydrophobicContact CG-CD2 4.43Å; L217-V234 HydrophobicContact CD2-CG2 4.11Å
218	M	98.7	Very high	98.1	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-39.8	178.9	-65.6	173.5	63.9	0	0	112.1	L52 L53 I214 G215 L216 K222 W227	L52-M218 HydrophobicContact CB-CE 4.24Å; L52-M218 HydrophobicContact CD2-CE 3.67Å; L52-M218 HydrophobicContact CG-CE 3.8Å; L53-M218 HydrophobicContact CB-SD 3.97Å; L53-M218 HydrophobicContact CD1-CG 4.35Å; L53-M218 HydrophobicContact CD1-SD 4.41Å; I214-M218 HydrophobicContact CG2-SD 4.31Å; I214-M218 VanDerWaalsContact O-CG 3.31Å; I214-M218 WeakPolarHBondContact O-CG 3.36Å; I214-M218 PolarHBondContact O-N 3.2Å; G215-M218 PolarHBondContact O-N 2.98Å; L216-M218 PolarHBondContact O-N 3.36Å; M218-K222 VanDerWaalsContact O-CG 3.27Å; M218-K222 WeakPolarHBondContact O-CG 3.18Å; M218-K222 PolarHBondContact O-N 2.93Å; M218-K222 VanDerWaalsContact O-N 3.1Å; M218-W227 HydrophobicContact CB-CE3 4.48Å; M218-W227 HydrophobicContact CB-CH2 4.35Å; M218-W227 HydrophobicContact CB-CZ3 3.92Å; M218-W227 HydrophobicContact CE-CH2 3.67Å; M218-W227 HydrophobicContact CE-CZ2 4.1Å; M218-W227 HydrophobicContact CE-CZ3 4.36Å; M218-W227 HydrophobicContact CG-CH2 3.85Å; M218-W227 HydrophobicContact CG-CZ3 3.66Å; M218-W227 HydrophobicContact SD-CH2 4.41Å
219	S	98.6	Very high	98	Very high	68 Å²	68	49.9 Å²	49.9	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-65.3	-45.8	178.1	-177.1	0	0	0	0	112	G215 L216 L217 K222 K223	G215-S219 WeakPolarHBondContact O-CB 3.45Å; G215-S219 PolarHBondContact O-N 2.84Å; L216-S219 PolarHBondContact O-N 2.75Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 3.23Å; S219-K222 PolarHBondContact O-N 2.9Å; S219-K223 WeakPolarHBondContact O-CB 3.23Å; S219-K223 PolarHBondContact O-N 3.02Å
220	E	98.6	Very high	98	Very high	41 Å²	41	44.4 Å²	44.4	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-179.4	-170.2	57.2	-147.8	0	0	111.3	L162 T166 L216 L217 K222 K223 S224	L162-E220 HydrophobicContact CD2-CB 3.84Å; L162-E220 HydrophobicContact CD2-CG 4.34Å; L162-E220 HydrophobicContact CG-CB 4.16Å; L162-E220 HydrophobicContact CG-CG 4.18Å; T166-E220 HydrophobicContact CG2-CG 4.24Å; L216-E220 WeakPolarHBondContact O-CB 3.36Å; L216-E220 PolarHBondContact O-N 2.8Å; L217-E220 PolarHBondContact O-N 2.79Å; E220-K222 VanDerWaalsContact C-N 3.3Å; E220-K222 PolarHBondContact O-N 3.17Å; E220-K223 PolarHBondContact O-N 2.83Å; E220-K223 IonicContact OE1-NZ 2.79Å; E220-K223 IonicContact OE2-NZ 3.21Å; E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.43Å; E220-S224 PolarHBondContact O-OG 3.21Å
221	L	98.5	Very high	98	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-36.8	173.8	-68.4	178.7	0	0	0	112.3	L30 L217 S224 G225 L226 W227 I230 L232	L30-L221 HydrophobicContact CD2-CD2 4.48Å; L217-L221 HydrophobicContact CD1-CD1 3.83Å; L217-L221 HydrophobicContact CD1-CG 4.09Å; L217-L221 HydrophobicContact CG-CD1 4.25Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.8Å; L221-S224 WeakPolarHBondContact CA-OG 3.35Å; L221-S224 PolarHBondContact O-OG 3.36Å; L221-S224 VanDerWaalsContact O-OG 3.12Å; L221-G225 PolarHBondContact O-N 3.22Å; L221-L226 HydrophobicContact CB-CB 4.49Å; L221-L226 HydrophobicContact CD2-CB 3.88Å; L221-L226 HydrophobicContact CD2-CD1 3.92Å; L221-L226 CarbonylContact O-C 3.32Å; L221-L226 PolarHBondContact O-N 3.08Å; L221-W227 HydrophobicContact CB-CB 4.36Å; L221-W227 HydrophobicContact CB-CE3 4Å; L221-W227 HydrophobicContact CD1-CE3 4.2Å; L221-W227 HydrophobicContact CD1-CZ3 4.4Å; L221-W227 PolarHBondContact O-N 2.68Å; L221-I230 HydrophobicContact CD1-CD1 4.12Å; L221-I230 HydrophobicContact CD2-CD1 3.72Å; L221-L232 HydrophobicContact CD1-CD2 3.94Å
222	K	98.4	Very high	98	Very high	106 Å²	106	44.5 Å²	44.5	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-68.7	-46.6	174.7	-74.5	170.3	-175.1	175.2	0	111.7	M218 S219 E220 S224 G225 W227	M218-K222 VanDerWaalsContact O-CG 3.27Å; M218-K222 WeakPolarHBondContact O-CG 3.18Å; M218-K222 PolarHBondContact O-N 2.93Å; M218-K222 VanDerWaalsContact O-N 3.1Å; S219-K222 PolarHBondContact O-N 2.9Å; E220-K222 VanDerWaalsContact C-N 3.3Å; E220-K222 PolarHBondContact O-N 3.17Å; K222-S224 VanDerWaalsContact C-N 3.32Å; K222-S224 PolarHBondContact O-N 3Å; K222-G225 PolarHBondContact O-N 3.2Å; K222-G225 VanDerWaalsContact O-N 3.1Å; K222-W227 HydrophobicContact CB-CB 4.28Å; K222-W227 HydrophobicContact CG-CB 3.58Å; K222-W227 HydrophobicContact CG-CD2 4Å; K222-W227 HydrophobicContact CG-CE3 4.49Å; K222-W227 HydrophobicContact CG-CG 3.57Å
223	K	98.2	Very high	98	Very high	162 Å²	162	41.1 Å²	41.1	70%	0.704	22%	0.219	S	C	*	.	H	α-helix	trans	-62.2	-38.9	-179.5	179.2	-173.3	163.7	-151.3	0	112.3	S219 E220 G225	S219-K223 WeakPolarHBondContact O-CB 3.23Å; S219-K223 PolarHBondContact O-N 3.02Å; E220-K223 PolarHBondContact O-N 2.83Å; E220-K223 IonicContact OE1-NZ 2.79Å; E220-K223 IonicContact OE2-NZ 3.21Å; K223-G225 VanDerWaalsContact C-N 3.27Å; K223-G225 PolarHBondContact O-N 2.9Å
224	S	96.8	Very high	98	Very high	27 Å²	27	39.6 Å²	39.6	19%	0.189	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.5	176.3	54.2	0	0	0	0	114	T166 E220 L221 K222 L226	T166-S224 VanDerWaalsContact CG2-CB 3.43Å; T166-S224 WeakPolarHBondContact CG2-OG 3.05Å; E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.43Å; E220-S224 PolarHBondContact O-OG 3.21Å; L221-S224 WeakPolarHBondContact CA-OG 3.35Å; L221-S224 PolarHBondContact O-OG 3.36Å; L221-S224 VanDerWaalsContact O-OG 3.12Å; K222-S224 VanDerWaalsContact C-N 3.32Å; K222-S224 PolarHBondContact O-N 3Å; S224-L226 VanDerWaalsContact C-N 3.26Å; S224-L226 PolarHBondContact O-N 2.97Å
225	G	96.4	Very high	98	Very high	42 Å²	42	39.6 Å²	39.6	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	11.1	-176	0	0	0	0	0	114.5	L221 K222 K223 R229	L221-G225 PolarHBondContact O-N 3.22Å; K222-G225 PolarHBondContact O-N 3.2Å; K222-G225 VanDerWaalsContact O-N 3.1Å; K223-G225 VanDerWaalsContact C-N 3.27Å; K223-G225 PolarHBondContact O-N 2.9Å; G225-R229 WeakPolarHBondContact O-CD 3.44Å
226	L	97.2	Very high	98	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.073	20%	0.204	C	C	.	.			trans	-81.5	-22.4	176.3	-67	-178.4	0	0	0	113.2	T166 I169 L170 L221 S224 G228 R229 I230	T166-L226 HydrophobicContact CG2-CD1 3.81Å; I169-L226 HydrophobicContact CB-CD1 4.12Å; I169-L226 HydrophobicContact CG2-CD1 3.83Å; I169-L226 HydrophobicContact CG2-CD2 3.94Å; L170-L226 HydrophobicContact CD2-CD1 4.47Å; L170-L226 HydrophobicContact CD2-CD2 3.69Å; L170-L226 HydrophobicContact CD2-CG 3.97Å; L170-L226 HydrophobicContact CG-CD1 4.31Å; L170-L226 HydrophobicContact CG-CD2 4.29Å; L170-L226 HydrophobicContact CG-CG 4.34Å; L221-L226 HydrophobicContact CB-CB 4.49Å; L221-L226 HydrophobicContact CD2-CB 3.88Å; L221-L226 HydrophobicContact CD2-CD1 3.92Å; L221-L226 CarbonylContact O-C 3.32Å; L221-L226 PolarHBondContact O-N 3.08Å; S224-L226 VanDerWaalsContact C-N 3.26Å; S224-L226 PolarHBondContact O-N 2.97Å; L226-G228 PolarHBondContact O-N 3.44Å; L226-R229 WeakPolarHBondContact O-CA 3.43Å; L226-R229 PolarHBondContact O-N 3.07Å; L226-I230 HydrophobicContact CB-CD1 4.49Å; L226-I230 HydrophobicContact CB-CG2 4.1Å; L226-I230 HydrophobicContact CD2-CG2 3.95Å; L226-I230 HydrophobicContact CG-CG2 4.48Å; L226-I230 PolarHBondContact O-N 3.05Å
227	W	97.1	Very high	98	Very high	62 Å²	62	36.6 Å²	36.6	24%	0.235	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	123.5	179.4	-171.2	-94.2	0	0	0	111.3	M218 L221 K222 R229 L232 T353	M218-W227 HydrophobicContact CB-CE3 4.48Å; M218-W227 HydrophobicContact CB-CH2 4.35Å; M218-W227 HydrophobicContact CB-CZ3 3.92Å; M218-W227 HydrophobicContact CE-CH2 3.67Å; M218-W227 HydrophobicContact CE-CZ2 4.1Å; M218-W227 HydrophobicContact CE-CZ3 4.36Å; M218-W227 HydrophobicContact CG-CH2 3.85Å; M218-W227 HydrophobicContact CG-CZ3 3.66Å; M218-W227 HydrophobicContact SD-CH2 4.41Å; L221-W227 HydrophobicContact CB-CB 4.36Å; L221-W227 HydrophobicContact CB-CE3 4Å; L221-W227 HydrophobicContact CD1-CE3 4.2Å; L221-W227 HydrophobicContact CD1-CZ3 4.4Å; L221-W227 PolarHBondContact O-N 2.68Å; K222-W227 HydrophobicContact CB-CB 4.28Å; K222-W227 HydrophobicContact CG-CB 3.58Å; K222-W227 HydrophobicContact CG-CD2 4Å; K222-W227 HydrophobicContact CG-CE3 4.49Å; K222-W227 HydrophobicContact CG-CG 3.57Å; W227-R229 PolarHBondContact O-N 3.09Å; W227-L232 HydrophobicContact CZ3-CD2 4.48Å; W227-T353 HydrophobicContact CH2-CG2 4.11Å
228	G	94.3	Very high	97.9	Very high	47 Å²	47	36.6 Å²	36.6	49%	0.485	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	2.3	-174.5	0	0	0	0	0	114.9	L226 P355	L226-G228 PolarHBondContact O-N 3.44Å; G228-P355 WeakPolarHBondContact O-CG 3.39Å
229	R	96.4	Very high	97.9	Very high	181 Å²	181	36.4 Å²	36.4	68%	0.683	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-0.5	174.4	-60.9	-165.6	177.6	-148.8	-2.4	113.5	G225 L226 W227	G225-R229 WeakPolarHBondContact O-CD 3.44Å; L226-R229 WeakPolarHBondContact O-CA 3.43Å; L226-R229 PolarHBondContact O-N 3.07Å; W227-R229 PolarHBondContact O-N 3.09Å
230	I	97.8	Very high	97.9	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.168	C	C	.	.	S	Bend	trans	-129.8	162.8	173.2	72.4	168.6	0	0	0	109.6	P28 L30 I169 L221 L226 G354 P355	P28-I230 HydrophobicContact CB-CB 4.31Å; P28-I230 HydrophobicContact CB-CG2 3.82Å; P28-I230 HydrophobicContact CG-CG2 4.04Å; P28-I230 CarbonylContact O-C 3.27Å; P28-I230 WeakPolarHBondContact O-CA 3.47Å; P28-I230 WeakPolarHBondContact O-CB 3.31Å; L30-I230 HydrophobicContact CB-CD1 4.06Å; L30-I230 HydrophobicContact CD2-CD1 4.45Å; I169-I230 HydrophobicContact CG2-CG2 4.3Å; L221-I230 HydrophobicContact CD1-CD1 4.12Å; L221-I230 HydrophobicContact CD2-CD1 3.72Å; L226-I230 HydrophobicContact CB-CD1 4.49Å; L226-I230 HydrophobicContact CB-CG2 4.1Å; L226-I230 HydrophobicContact CD2-CG2 3.95Å; L226-I230 HydrophobicContact CG-CG2 4.48Å; L226-I230 PolarHBondContact O-N 3.05Å; I230-G354 WeakPolarHBondContact O-CA 3.48Å; I230-P355 WeakPolarHBondContact O-CD 3.48Å
231	N	98.6	Very high	97.9	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.8	163	-65.9	-49.5	0	0	0	108.8	P28 L29 L30 G356 F357	P28-N231 PolarHBondContact O-N 3.26Å; L29-N231 CarbonylContact C-O 3.5Å; L29-N231 WeakPolarHBondContact CA-O 3.33Å; L29-N231 HydrophobicContact CD1-CB 3.69Å; L30-N231 PolarHBondContact N-O 2.99Å; N231-G356 WeakPolarHBondContact OD1-CA 3.21Å; N231-G356 PolarHBondContact OD1-N 3.29Å; N231-F357 HydrophobicContact CB-CD2 4.46Å; N231-F357 HydrophobicContact CB-CE2 3.96Å
232	L	98.8	Very high	97.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	179	172.9	62.7	0	0	0	109.2	L30 V32 L53 L217 L221 W227 V234 A352 T353	L30-L232 HydrophobicContact CB-CD1 4.16Å; L30-L232 HydrophobicContact CD2-CD1 4.01Å; L30-L232 HydrophobicContact CG-CD1 3.95Å; L30-L232 WeakPolarHBondContact O-CA 3.26Å; V32-L232 HydrophobicContact CG2-CD1 3.77Å; L53-L232 HydrophobicContact CD1-CD2 3.86Å; L217-L232 HydrophobicContact CD2-CD1 4.19Å; L217-L232 HydrophobicContact CD2-CD2 4.1Å; L217-L232 HydrophobicContact CG-CD2 4.43Å; L221-L232 HydrophobicContact CD1-CD2 3.94Å; W227-L232 HydrophobicContact CZ3-CD2 4.48Å; L232-V234 HydrophobicContact CD1-CG2 4.2Å; L232-V234 HydrophobicContact CD2-CG2 4.32Å; L232-V234 HydrophobicContact CG-CG2 4.16Å; L232-A352 CarbonylContact O-C 3.35Å; L232-A352 WeakPolarHBondContact O-CA 3.31Å; L232-A352 VanDerWaalsContact O-CB 3.31Å; L232-A352 WeakPolarHBondContact O-CB 3.16Å; L232-T353 HydrophobicContact CB-CG2 4.23Å; L232-T353 HydrophobicContact CD2-CG2 4.3Å; L232-T353 PolarHBondContact N-O 2.85Å; L232-T353 PolarHBondContact O-N 3.17Å
233	I	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127	168.7	-59.2	174.8	0	0	0	107.6	L29 L30 L31 V32 L350 A352 F357 M375	L29-I233 HydrophobicContact CD1-CD1 4.03Å; L29-I233 HydrophobicContact CD1-CG1 4.1Å; L30-I233 PolarHBondContact O-N 3.44Å; L31-I233 HydrophobicContact CD1-CB 3.84Å; L31-I233 HydrophobicContact CD1-CG2 3.65Å; V32-I233 PolarHBondContact N-O 3.29Å; I233-L350 HydrophobicContact CG2-CD1 3.88Å; I233-L350 HydrophobicContact CG2-CD2 4.35Å; I233-L350 HydrophobicContact CG2-CG 3.87Å; I233-A352 HydrophobicContact CB-CB 4.49Å; I233-A352 HydrophobicContact CG1-CB 3.99Å; I233-F357 HydrophobicContact CD1-CZ 3.97Å; I233-F357 HydrophobicContact CG1-CE2 4.13Å; I233-F357 HydrophobicContact CG1-CZ 3.69Å; I233-M375 HydrophobicContact CD1-CG 3.77Å; I233-M375 HydrophobicContact CD1-SD 4.24Å
234	V	98.9	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.5	170.3	-179.3	0	0	0	0	107.7	V32 F34 L53 L217 L232 F349 A351	V32-V234 HydrophobicContact CB-CG2 4.28Å; V32-V234 WeakPolarHBondContact O-CA 3.38Å; F34-V234 HydrophobicContact CD2-CG1 3.84Å; F34-V234 HydrophobicContact CE2-CG1 3.83Å; L53-V234 HydrophobicContact CD1-CG2 3.78Å; L217-V234 HydrophobicContact CD2-CG2 4.11Å; L232-V234 HydrophobicContact CD1-CG2 4.2Å; L232-V234 HydrophobicContact CD2-CG2 4.32Å; L232-V234 HydrophobicContact CG-CG2 4.16Å; V234-F349 HydrophobicContact CG1-CZ 4.33Å; V234-A351 PolarHBondContact N-O 2.82Å; V234-A351 PolarHBondContact O-N 3.38Å; V234-A351 VanDerWaalsContact O-O 3.13Å
235	T	98.8	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-174.5	-175.7	-170.3	0	0	0	0	110	L31 V32 S33 F34 L63 L78 F349	L31-T235 HydrophobicContact CD1-CG2 3.87Å; V32-T235 PolarHBondContact O-N 3Å; S33-T235 WeakPolarHBondContact CA-O 3.45Å; F34-T235 PolarHBondContact N-O 3.48Å; F34-T235 VanDerWaalsContact N-O 3.08Å; L63-T235 WeakPolarHBondContact CD1-OG1 3.32Å; L78-T235 HydrophobicContact CD1-CG2 4.09Å; T235-F349 WeakPolarHBondContact CA-O 3.31Å; T235-F349 PolarHBondContact OG1-O 3.33Å
236	S	98.8	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.159	C	C	.	.			trans	-136.9	177.3	162.9	-176	0	0	0	0	110	F34 G36 F37 H238 P348	F34-S236 WeakPolarHBondContact O-CB 3.42Å; F34-S236 PolarHBondContact O-OG 3.36Å; G36-S236 PolarHBondContact N-OG 2.9Å; F37-S236 PolarHBondContact N-OG 3.28Å; S236-H238 PolarHBondContact OG-O 2.91Å; S236-P348 WeakPolarHBondContact O-CG 3.29Å
237	D	98.5	Very high	97.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	17%	0.171	C	C	.	.	S	Bend	trans	-99.2	-35.5	-177	58.4	-28.1	0	0	0	112.9	G36 N65 T71 N74 H75	G36-D237 PolarHBondContact N-OD1 3.32Å; N65-D237 WeakPolarHBondContact CB-O 3.08Å; N65-D237 PolarHBondContact ND2-O 2.97Å; T71-D237 WeakPolarHBondContact CA-OD2 3.49Å; T71-D237 WeakPolarHBondContact CG2-OD2 3.37Å; N74-D237 HydrophobicContact CB-CB 3.82Å; N74-D237 WeakPolarHBondContact CB-O 3.3Å; H75-D237 WeakPolarHBondContact CE1-CB 3.14Å; H75-D237 IonicContact CE1-OD1 3.22Å; H75-D237 IonicContact CE1-OD2 3.59Å; H75-D237 PolarHBondContact CE1-OD2 3.23Å; H75-D237 VanDerWaalsContact ND1-CB 3.35Å; H75-D237 WeakPolarHBondContact ND1-CB 3.5Å; H75-D237 IonicContact ND1-OD2 3.59Å; H75-D237 PolarHBondContact ND1-OD2 3.44Å
238	H	98.8	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.			trans	-155.4	176.7	174.1	54.6	72.7	0	0	0	111.9	D35 G36 F37 N65 T69 T71 D189 S236 H337 M346	D35-H238 IonicContact OD1-CE1 2.8Å; D35-H238 PolarHBondContact OD1-CE1 3.18Å; D35-H238 IonicContact OD1-NE2 2.61Å; D35-H238 PolarHBondContact OD1-NE2 2.94Å; G36-H238 CarbonylContact C-O 3.48Å; G36-H238 VanDerWaalsContact C-O 3.27Å; G36-H238 VanDerWaalsContact CA-O 3.25Å; G36-H238 WeakPolarHBondContact CA-O 3.48Å; F37-H238 PolarHBondContact N-O 2.81Å; N65-H238 WeakPolarHBondContact ND2-CB 3.36Å; T69-H238 PolarHBondContact O-CD2 2.88Å; T71-H238 PolarHBondContact OG1-NE2 2.93Å; D189-H238 IonicContact OD1-CE1 2.52Å; D189-H238 PolarHBondContact OD1-CE1 3.4Å; S236-H238 PolarHBondContact OG-O 2.91Å; H238-H337 AromaticContact CD2-CE1 3.84Å; H238-H337 AromaticContact CD2-ND1 3.52Å; H238-H337 AromaticContact CE1-CD2 3.41Å; H238-H337 PolarHBondContact CE1-CD2 3.16Å; H238-H337 VanDerWaalsContact CE1-CD2 3.41Å; H238-H337 AromaticContact CE1-CE1 3.22Å; H238-H337 PolarHBondContact CE1-CE1 2.91Å; H238-H337 AromaticContact CE1-CG 3.29Å; H238-H337 AromaticContact CE1-ND1 3.17Å; H238-H337 PolarHBondContact CE1-ND1 3.22Å; H238-H337 AromaticContact CE1-NE2 3.46Å; H238-H337 PolarHBondContact CE1-NE2 2.84Å; H238-H337 AromaticContact CG-ND1 3.7Å; H238-H337 AromaticContact ND1-CD2 3.9Å; H238-H337 AromaticContact ND1-CE1 3.99Å; H238-H337 AromaticContact ND1-CG 3.4Å; H238-H337 AromaticContact ND1-ND1 3.47Å; H238-H337 PolarHBondContact ND1-ND1 3.24Å; H238-H337 AromaticContact NE2-CE1 3Å; H238-H337 PolarHBondContact NE2-CE1 3.22Å; H238-H337 AromaticContact NE2-CG 3.76Å; H238-H337 AromaticContact NE2-ND1 3.11Å; H238-H337 PolarHBondContact NE2-ND1 3.23Å; H238-H337 VanDerWaalsContact NE2-ND1 3.11Å; H238-H337 AromaticContact NE2-NE2 3.67Å; H238-M346 CarbonylContact C-O 3.57Å; H238-M346 WeakPolarHBondContact CA-O 3.5Å
239	G	98.4	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.			trans	-97.8	-149.3	167.6	0	0	0	0	0	112.8	H337 S345 M346	G239-H337 WeakPolarHBondContact O-CB 3.41Å; G239-S345 CarbonylContact C-O 3.57Å; G239-S345 WeakPolarHBondContact CA-O 3.49Å; G239-M346 VanDerWaalsContact N-C 3.3Å; G239-M346 PolarHBondContact N-O 3.37Å
240	M	98.8	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.			trans	-155.4	138.2	-172.7	-174.4	65.8	65.5	0	0	110.5	R38 D189 P197 D336 S345	R38-M240 WeakPolarHBondContact CD-O 3.36Å; R38-M240 PolarHBondContact NH1-O 2.63Å; D189-M240 WeakPolarHBondContact OD1-CE 3.38Å; P197-M240 HydrophobicContact CB-CB 4.44Å; P197-M240 HydrophobicContact CB-CG 4.22Å; P197-M240 HydrophobicContact CG-CG 4.1Å; M240-D336 PolarHBondContact SD-N 3.33Å; M240-D336 VanDerWaalsContact SD-N 3.36Å; M240-S345 PolarHBondContact N-O 3.36Å
241	A	98.6	Very high	98	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.5	174.8	0	0	0	0	0	111.2	E320 G335 D336 Y339 M346	A241-E320 HydrophobicContact CB-CG 4Å; A241-G335 CarbonylContact O-C 3.51Å; A241-G335 WeakPolarHBondContact O-CA 3.33Å; A241-D336 PolarHBondContact N-O 3.34Å; A241-D336 PolarHBondContact O-N 2.95Å; A241-Y339 HydrophobicContact CB-CD2 4.17Å; A241-Y339 HydrophobicContact CB-CE2 3.83Å; A241-M346 HydrophobicContact CB-CE 3.74Å
242	Q	98.5	Very high	97.8	Very high	64 Å²	64	24.1 Å²	24.1	30%	0.299	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.2	177.1	-179.2	67.4	48.8	0	0	110.5	G196 P197 E198 G321 L334	G196-Q242 VanDerWaalsContact CA-OE1 3.26Å; P197-Q242 HydrophobicContact CG-CB 4.08Å; E198-Q242 HydrophobicContact CB-CG 4.47Å; E198-Q242 HydrophobicContact CG-CB 3.93Å; E198-Q242 HydrophobicContact CG-CG 4.26Å; Q242-G321 WeakPolarHBondContact O-CA 3.21Å; Q242-L334 PolarHBondContact NE2-O 3.43Å
243	C	98	Very high	97.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.02	16%	0.156	C	C	.	.			trans	-104.2	159.2	173.1	-55	0	0	0	0	111.2	L331 L334 D336	C243-L331 HydrophobicContact CB-CD1 3.84Å; C243-L331 HydrophobicContact CB-CD2 4.29Å; C243-L334 PolarHBondContact N-O 3.2Å; C243-D336 WeakPolarHBondContact SG-CB 3.39Å; C243-D336 PolarHBondContact SG-N 3.25Å; C243-D336 VanDerWaalsContact SG-N 3.44Å
244	S	97	Very high	97.2	Very high	35 Å²	35	31.5 Å²	31.5	25%	0.245	17%	0.167	C	C	.	.			trans	-138.2	142.5	178.8	177.1	0	0	0	0	111.4	E246 H247	S244-E246 PolarHBondContact O-N 2.72Å; S244-E246 PolarHBondContact OG-N 2.76Å; S244-E246 VanDerWaalsContact OG-N 3.12Å; S244-H247 PolarHBondContact O-N 2.81Å
245	A	96.1	Very high	96.9	Very high	53 Å²	53	31.7 Å²	31.7	44%	0.438	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	172.8	0	0	0	0	0	112.7	L248 L331	A245-L248 WeakPolarHBondContact O-CG 3.21Å; A245-L331 HydrophobicContact CB-CB 4.06Å
246	E	96.3	Very high	96.6	Very high	166 Å²	166	37 Å²	37	78%	0.776	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.1	173.5	-59.4	-179.8	169.9	0	0	112.2	S244	S244-E246 PolarHBondContact O-N 2.72Å; S244-E246 PolarHBondContact OG-N 2.76Å; S244-E246 VanDerWaalsContact OG-N 3.12Å
247	H	97.7	Very high	96.3	Very high	72 Å²	72	38.4 Å²	38.4	33%	0.333	20%	0.202	S	C	.	.	S	Bend	trans	-108.6	50.8	-176.3	-62.1	166.8	0	0	0	111.7	S244 G321 W322 T323	S244-H247 PolarHBondContact O-N 2.81Å; H247-G321 WeakPolarHBondContact CB-O 3.34Å; H247-W322 HydrophobicContact CB-CD2 3.7Å; H247-W322 HydrophobicContact CB-CE3 3.85Å; H247-W322 HydrophobicContact CB-CG 4.06Å; H247-W322 HydrophobicContact CB-CH2 4.46Å; H247-W322 HydrophobicContact CB-CZ2 4.32Å; H247-W322 HydrophobicContact CB-CZ3 4.24Å; H247-W322 AromaticContact CD2-CZ2 3.81Å; H247-W322 AromaticContact CG-CE2 3.98Å; H247-W322 WeakPolarHBondContact O-CA 3.47Å; H247-T323 PolarHBondContact O-N 3.34Å
248	L	98	Very high	96.1	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.5	179.2	-60	-178.3	0	0	0	111.8	A245 T323 V325 L331	A245-L248 WeakPolarHBondContact O-CG 3.21Å; L248-T323 WeakPolarHBondContact CA-O 3.36Å; L248-T323 HydrophobicContact CD2-CG2 4.25Å; L248-V325 HydrophobicContact CB-CG2 4.33Å; L248-V325 HydrophobicContact CD2-CG1 4.15Å; L248-L331 HydrophobicContact CD2-CD1 3.85Å
249	I	98	Very high	95.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.9	167.7	-60.9	145.8	0	0	0	107.5	H288 M291 A318 W322 T323 I324 V325	I249-H288 HydrophobicContact CG1-CB 3.99Å; I249-H288 HydrophobicContact CG2-CB 3.8Å; I249-M291 HydrophobicContact CD1-CB 3.89Å; I249-M291 HydrophobicContact CD1-CG 4.44Å; I249-M291 HydrophobicContact CG2-CE 4.25Å; I249-M291 HydrophobicContact CG2-SD 3.84Å; I249-A318 HydrophobicContact CD1-CB 3.97Å; I249-W322 HydrophobicContact CD1-CB 3.96Å; I249-W322 HydrophobicContact CD1-CE3 4.21Å; I249-W322 HydrophobicContact CG1-CE3 3.87Å; I249-W322 HydrophobicContact CG1-CZ3 4.5Å; I249-T323 PolarHBondContact N-O 3.12Å; I249-I324 HydrophobicContact CD1-CG1 4.21Å; I249-I324 WeakPolarHBondContact O-CA 3.5Å; I249-V325 PolarHBondContact O-N 2.93Å; I249-V325 VanDerWaalsContact O-O 3.14Å
250	R	96.8	Very high	95.7	Very high	61 Å²	61	46 Å²	46	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.3	-179.5	-62.6	171.5	-161.3	75.1	8.1	109.4	D252 D253 V325 G328 N329	R250-D252 VanDerWaalsContact C-N 3.31Å; R250-D252 PolarHBondContact O-N 2.91Å; R250-D253 HydrophobicContact CB-CB 4.24Å; R250-D253 WeakPolarHBondContact CB-OD2 3.42Å; R250-D253 WeakPolarHBondContact CD-OD2 3.49Å; R250-D253 IonicContact NH1-OD2 2.81Å; R250-D253 PolarHBondContact O-N 3.07Å; R250-V325 WeakPolarHBondContact CA-O 3.29Å; R250-V325 HydrophobicContact CB-CG2 4.47Å; R250-V325 HydrophobicContact CG-CG2 3.79Å; R250-G328 WeakPolarHBondContact CD-O 3.47Å; R250-G328 PolarHBondContact NE-O 3.43Å; R250-N329 PolarHBondContact NE-OD1 2.95Å; R250-N329 PolarHBondContact NH2-OD1 3.32Å
251	L	95.6	Very high	95.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.9	-36.1	179.8	-63.9	-178.3	0	0	0	112.1	D253 C254 L255 Y260 L262 L265 L271 L284 L316 I324 V325 K326	L251-D253 PolarHBondContact O-N 2.86Å; L251-C254 PolarHBondContact O-N 3.32Å; L251-C254 VanDerWaalsContact O-N 3.07Å; L251-C254 PolarHBondContact O-SG 3.44Å; L251-L255 PolarHBondContact O-N 2.92Å; L251-Y260 HydrophobicContact CD1-CE2 4.47Å; L251-L262 HydrophobicContact CD1-CD1 4.31Å; L251-L265 HydrophobicContact CD1-CD1 4.26Å; L251-L271 HydrophobicContact CD1-CD2 4.43Å; L251-L284 HydrophobicContact CD2-CD2 4.22Å; L251-L316 HydrophobicContact CD2-CD1 3.64Å; L251-I324 HydrophobicContact CD1-CG2 3.93Å; L251-I324 HydrophobicContact CD2-CG2 3.71Å; L251-I324 HydrophobicContact CG-CG2 3.69Å; L251-V325 PolarHBondContact N-O 2.62Å; L251-K326 PolarHBondContact N-O 2.85Å
252	D	94	Very high	95.6	Very high	39 Å²	39	51.4 Å²	51.4	21%	0.209	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-70.2	-15.9	-177	-67.3	3.1	0	0	0	112.7	R250 C254 P257 Y260 K326 Q327	R250-D252 VanDerWaalsContact C-N 3.31Å; R250-D252 PolarHBondContact O-N 2.91Å; D252-C254 VanDerWaalsContact C-N 3.26Å; D252-C254 PolarHBondContact O-N 2.91Å; D252-P257 WeakPolarHBondContact OD1-CG 3.28Å; D252-P257 WeakPolarHBondContact OD2-CG 3.13Å; D252-Y260 PolarHBondContact OD1-OH 2.48Å; D252-Y260 VanDerWaalsContact OD1-OH 3.07Å; D252-K326 WeakPolarHBondContact CB-O 3.37Å; D252-K326 PolarHBondContact N-O 3.42Å; D252-K326 WeakPolarHBondContact OD1-CG 3.37Å; D252-Q327 HydrophobicContact CB-CB 4.3Å
253	D	94.1	Very high	95.5	Very high	122 Å²	122	49.3 Å²	49.3	65%	0.652	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71.4	-22.2	173	-67	-0.5	0	0	0	112	R250 L251	R250-D253 HydrophobicContact CB-CB 4.24Å; R250-D253 WeakPolarHBondContact CB-OD2 3.42Å; R250-D253 WeakPolarHBondContact CD-OD2 3.49Å; R250-D253 IonicContact NH1-OD2 2.81Å; R250-D253 PolarHBondContact O-N 3.07Å; L251-D253 PolarHBondContact O-N 2.86Å
254	C	91.8	Very high	95.5	Very high	34 Å²	34	50.1 Å²	50.1	23%	0.23	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-21.4	-174.9	63.8	0	0	0	0	114.4	L251 D252 C287	L251-C254 PolarHBondContact O-N 3.32Å; L251-C254 VanDerWaalsContact O-N 3.07Å; L251-C254 PolarHBondContact O-SG 3.44Å; D252-C254 VanDerWaalsContact C-N 3.26Å; D252-C254 PolarHBondContact O-N 2.91Å; C254-C287 HydrophobicContact CB-CB 3.58Å; C254-C287 WeakPolarHBondContact CB-SG 3.37Å; C254-C287 WeakPolarHBondContact SG-CB 3.39Å; C254-C287 CovalentContact SG-SG 2.04Å; C254-C287 PolarHBondContact SG-SG 2.8Å
255	L	93	Very high	95.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	27%	0.268	C	S	.	.	S	Bend	trans	-147.9	122.1	-178.1	-174.3	70	0	0	0	111.5	L251 N259 Y260 V280 L283 L284	L251-L255 PolarHBondContact O-N 2.92Å; L255-N259 HydrophobicContact CD1-CB 3.73Å; L255-N259 HydrophobicContact CD2-CB 4.35Å; L255-N259 HydrophobicContact CG-CB 4.01Å; L255-Y260 HydrophobicContact CD2-CD1 3.46Å; L255-Y260 VanDerWaalsContact CD2-CD1 3.46Å; L255-Y260 HydrophobicContact CD2-CE1 4.04Å; L255-Y260 HydrophobicContact CD2-CG 4.23Å; L255-Y260 HydrophobicContact CG-CD1 3.97Å; L255-Y260 HydrophobicContact CG-CE1 4.27Å; L255-V280 HydrophobicContact CD2-CG1 3.67Å; L255-L283 HydrophobicContact CD1-CD1 3.78Å; L255-L284 HydrophobicContact CB-CD2 4.27Å; L255-L284 HydrophobicContact CD2-CD1 4.1Å; L255-L284 HydrophobicContact CD2-CD2 3.98Å; L255-L284 HydrophobicContact CD2-CG 4.04Å
256	H	92.8	Very high	95.4	Very high	112 Å²	112	48.8 Å²	48.8	52%	0.519	25%	0.251	S	S	.	.			trans	-61.1	136.7	177	-164.9	-93.5	0	0	0	111.4	D258 N259	H256-D258 IonicContact CE1-OD2 3.59Å; H256-D258 PolarHBondContact CE1-OD2 3.17Å; H256-D258 PolarHBondContact ND1-N 2.81Å; H256-D258 IonicContact ND1-OD2 3.67Å; H256-D258 PolarHBondContact ND1-OD2 2.83Å; H256-D258 PolarHBondContact O-N 2.93Å; H256-N259 WeakPolarHBondContact O-CB 3.2Å; H256-N259 PolarHBondContact O-N 3.41Å; H256-N259 PolarHBondContact O-ND2 3.39Å
257	P	92.1	Very high	95.4	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-53.6	-22.5	-179.5	-29.8	34.6	0	0	0	116.2	D252 N259 Y260 K274	D252-P257 WeakPolarHBondContact OD1-CG 3.28Å; D252-P257 WeakPolarHBondContact OD2-CG 3.13Å; P257-N259 PolarHBondContact O-N 2.86Å; P257-Y260 PolarHBondContact O-N 2.99Å; P257-K274 PolarHBondContact O-NZ 2.83Å
258	D	93.2	Very high	95.5	Very high	105 Å²	105	37.6 Å²	37.6	56%	0.561	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-72.9	-10.6	177.5	-67.2	-22.9	0	0	0	113.6	H256 K274	H256-D258 IonicContact CE1-OD2 3.59Å; H256-D258 PolarHBondContact CE1-OD2 3.17Å; H256-D258 PolarHBondContact ND1-N 2.81Å; H256-D258 IonicContact ND1-OD2 3.67Å; H256-D258 PolarHBondContact ND1-OD2 2.83Å; H256-D258 PolarHBondContact O-N 2.93Å; D258-K274 WeakPolarHBondContact O-CD 3.41Å
259	N	94.6	Very high	95.5	Very high	47 Å²	47	37.3 Å²	37.3	25%	0.251	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-89.9	-11.1	178.8	-66.6	-61.4	0	0	0	113.8	L255 H256 P257 K274 N275 V280	L255-N259 HydrophobicContact CD1-CB 3.73Å; L255-N259 HydrophobicContact CD2-CB 4.35Å; L255-N259 HydrophobicContact CG-CB 4.01Å; H256-N259 WeakPolarHBondContact O-CB 3.2Å; H256-N259 PolarHBondContact O-N 3.41Å; H256-N259 PolarHBondContact O-ND2 3.39Å; P257-N259 PolarHBondContact O-N 2.86Å; N259-K274 PolarHBondContact O-N 3.26Å; N259-N275 PolarHBondContact OD1-ND2 2.86Å; N259-V280 HydrophobicContact CB-CG2 4.28Å
260	Y	95.7	Very high	95.5	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.6	-176.8	68.7	-85.3	0	0	0	113.5	L251 D252 L255 P257 L262 L271 I272 K274	L251-Y260 HydrophobicContact CD1-CE2 4.47Å; D252-Y260 PolarHBondContact OD1-OH 2.48Å; D252-Y260 VanDerWaalsContact OD1-OH 3.07Å; L255-Y260 HydrophobicContact CD2-CD1 3.46Å; L255-Y260 VanDerWaalsContact CD2-CD1 3.46Å; L255-Y260 HydrophobicContact CD2-CE1 4.04Å; L255-Y260 HydrophobicContact CD2-CG 4.23Å; L255-Y260 HydrophobicContact CG-CD1 3.97Å; L255-Y260 HydrophobicContact CG-CE1 4.27Å; P257-Y260 PolarHBondContact O-N 2.99Å; Y260-L262 HydrophobicContact CD2-CB 4.24Å; Y260-L262 HydrophobicContact CE2-CB 3.99Å; Y260-L262 HydrophobicContact CE2-CD1 4.28Å; Y260-L271 HydrophobicContact CD1-CD2 4.47Å; Y260-L271 HydrophobicContact CD2-CD2 3.5Å; Y260-L271 HydrophobicContact CD2-CG 4.24Å; Y260-L271 HydrophobicContact CE2-CD2 3.95Å; Y260-L271 HydrophobicContact CG-CD2 3.8Å; Y260-I272 CarbonylContact C-O 3.48Å; Y260-I272 VanDerWaalsContact CA-O 3.31Å; Y260-I272 WeakPolarHBondContact CA-O 3.45Å; Y260-K274 WeakPolarHBondContact O-CE 3.48Å; Y260-K274 PolarHBondContact O-NZ 3.23Å
261	T	96.8	Very high	95.5	Very high	59 Å²	59	34.8 Å²	34.8	36%	0.362	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.6	162.1	-61.7	0	0	0	0	107.6	L271 I272 K274	T261-L271 WeakPolarHBondContact O-CA 3.46Å; T261-I272 PolarHBondContact N-O 3.29Å; T261-I272 PolarHBondContact O-N 3.22Å; T261-K274 WeakPolarHBondContact OG1-CE 3.19Å
262	L	96.6	Very high	95.6	Very high	57 Å²	57	36.8 Å²	36.8	30%	0.298	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.5	178.2	-170.1	66.6	0	0	0	109.4	L251 Y260 D264 L265 A269 L271	L251-L262 HydrophobicContact CD1-CD1 4.31Å; Y260-L262 HydrophobicContact CD2-CB 4.24Å; Y260-L262 HydrophobicContact CE2-CB 3.99Å; Y260-L262 HydrophobicContact CE2-CD1 4.28Å; L262-D264 WeakPolarHBondContact CD1-O 3.27Å; L262-L265 HydrophobicContact CD1-CD1 4.22Å; L262-L265 HydrophobicContact CD2-CB 4.05Å; L262-L265 HydrophobicContact CD2-CD1 3.82Å; L262-L265 HydrophobicContact CD2-CD2 4.27Å; L262-L265 HydrophobicContact CD2-CG 4.23Å; L262-A269 HydrophobicContact CD1-CB 4.4Å; L262-L271 HydrophobicContact CD1-CG 4.17Å
263	V	97.7	Very high	95.7	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-43.1	179	178.1	0	0	0	0	111	S93 A270 I272 Q312	S93-V263 WeakPolarHBondContact CB-O 3.4Å; V263-A270 HydrophobicContact CB-CB 4.34Å; V263-A270 WeakPolarHBondContact CB-O 3.27Å; V263-A270 PolarHBondContact N-O 2.83Å; V263-I272 HydrophobicContact CG2-CD1 3.74Å; V263-I272 HydrophobicContact CG2-CG1 3.91Å; V263-Q312 HydrophobicContact CB-CG 3.99Å; V263-Q312 HydrophobicContact CG1-CG 4.18Å; V263-Q312 HydrophobicContact CG2-CG 3.9Å
264	D	97	Very high	95.7	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.5	171.3	-162	8.2	0	0	0	109.1	A91 L262 A269 A270	A91-D264 WeakPolarHBondContact CB-OD2 3.45Å; L262-D264 WeakPolarHBondContact CD1-O 3.27Å; D264-A269 CarbonylContact O-C 3.35Å; D264-A269 VanDerWaalsContact O-CA 3.25Å; D264-A269 WeakPolarHBondContact O-CA 3.46Å; D264-A270 HydrophobicContact CB-CB 4.12Å; D264-A270 PolarHBondContact N-O 3.02Å; D264-A270 PolarHBondContact O-N 3.43Å
265	L	95.4	Very high	95.5	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.246	20%	0.201	C	C	.	.			trans	-121.2	-58.1	-167.2	-178.1	54.5	0	0	0	115.5	L251 L262 V268 A269 I324	L251-L265 HydrophobicContact CD1-CD1 4.26Å; L262-L265 HydrophobicContact CD1-CD1 4.22Å; L262-L265 HydrophobicContact CD2-CB 4.05Å; L262-L265 HydrophobicContact CD2-CD1 3.82Å; L262-L265 HydrophobicContact CD2-CD2 4.27Å; L262-L265 HydrophobicContact CD2-CG 4.23Å; L265-V268 CarbonylContact C-O 3.17Å; L265-V268 CarbonylContact O-C 3.51Å; L265-A269 WeakPolarHBondContact O-CA 3.35Å; L265-A269 VanDerWaalsContact O-CB 3.32Å; L265-A269 WeakPolarHBondContact O-CB 3.49Å; L265-A269 PolarHBondContact O-N 2.93Å; L265-I324 HydrophobicContact CD1-CG2 4.05Å
266	T	95.8	Very high	95.4	Very high	14 Å²	14	42.2 Å²	42.2	9%	0.086	22%	0.223	C	C	.	.	S	Bend	trans	-137.5	142.4	-165.5	-175.2	0	0	0	0	114	K70 T323 I324 D336	K70-T266 WeakPolarHBondContact CE-O 3.46Å; K70-T266 PolarHBondContact NZ-O 3.1Å; T266-T323 VanDerWaalsContact OG1-CG2 3.29Å; T266-T323 WeakPolarHBondContact OG1-CG2 3.17Å; T266-I324 WeakPolarHBondContact CB-O 3.49Å; T266-D336 PolarHBondContact OG1-OD2 3.31Å
267	P	97.4	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	S	Bend	cis	-80.6	-1.7	-8.7	34.2	-35.7	0	0	0	113.3	A318 I324 H337 Y339	P267-A318 HydrophobicContact CB-CB 4.48Å; P267-A318 WeakPolarHBondContact O-CB 3.3Å; P267-A318 PolarHBondContact O-N 3.15Å; P267-I324 WeakPolarHBondContact O-CD1 3.37Å; P267-H337 WeakPolarHBondContact CD-O 3.4Å; P267-H337 WeakPolarHBondContact CG-O 3.23Å; P267-Y339 HydrophobicContact CB-CD1 3.64Å; P267-Y339 HydrophobicContact CB-CD2 4.37Å; P267-Y339 HydrophobicContact CB-CE1 3.25Å; P267-Y339 HydrophobicContact CB-CE2 4.03Å; P267-Y339 HydrophobicContact CB-CG 4.18Å; P267-Y339 VanDerWaalsContact CB-CZ 3.45Å; P267-Y339 HydrophobicContact CG-CD1 3.78Å; P267-Y339 HydrophobicContact CG-CD2 3.82Å; P267-Y339 HydrophobicContact CG-CE1 3.78Å; P267-Y339 HydrophobicContact CG-CE2 3.79Å; P267-Y339 HydrophobicContact CG-CG 3.79Å
268	V	98.3	Very high	95.6	Very high	2 Å²	2	42 Å²	42	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.1	172.4	176.3	0	0	0	0	108.3	F67 I68 L265 L315 L316 I317 G338	F67-V268 HydrophobicContact CE2-CG2 4.24Å; F67-V268 HydrophobicContact CZ-CG1 4.38Å; F67-V268 HydrophobicContact CZ-CG2 4.15Å; I68-V268 HydrophobicContact CG2-CB 4.19Å; I68-V268 HydrophobicContact CG2-CG1 4.02Å; I68-V268 HydrophobicContact CG2-CG2 4.09Å; L265-V268 CarbonylContact C-O 3.17Å; L265-V268 CarbonylContact O-C 3.51Å; V268-L315 HydrophobicContact CG1-CD1 3.5Å; V268-L315 VanDerWaalsContact CG1-CD1 3.5Å; V268-L315 HydrophobicContact CG1-CD2 4.21Å; V268-L315 HydrophobicContact CG1-CG 3.82Å; V268-L316 CarbonylContact C-O 3.58Å; V268-L316 WeakPolarHBondContact CA-O 3.45Å; V268-L316 WeakPolarHBondContact CG1-O 3.4Å; V268-I317 HydrophobicContact CG1-CG1 4.37Å; V268-I317 HydrophobicContact CG2-CG1 4.28Å; V268-I317 HydrophobicContact CG2-CG2 4.2Å; V268-G338 WeakPolarHBondContact CG2-O 3.48Å
269	A	98	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137	177.1	0	0	0	0	0	110.6	L262 D264 L265 L271 L315 L316 I324	L262-A269 HydrophobicContact CD1-CB 4.4Å; D264-A269 CarbonylContact O-C 3.35Å; D264-A269 VanDerWaalsContact O-CA 3.25Å; D264-A269 WeakPolarHBondContact O-CA 3.46Å; L265-A269 WeakPolarHBondContact O-CA 3.35Å; L265-A269 VanDerWaalsContact O-CB 3.32Å; L265-A269 WeakPolarHBondContact O-CB 3.49Å; L265-A269 PolarHBondContact O-N 2.93Å; A269-L271 HydrophobicContact CB-CD1 3.78Å; A269-L315 CarbonylContact O-C 3.51Å; A269-L315 WeakPolarHBondContact O-CA 3.41Å; A269-L316 HydrophobicContact CB-CB 4.07Å; A269-L316 HydrophobicContact CB-CD1 4.19Å; A269-L316 HydrophobicContact CB-CG 4.36Å; A269-L316 PolarHBondContact N-O 3.22Å; A269-L316 PolarHBondContact O-N 3.11Å; A269-I324 HydrophobicContact CB-CD1 4.03Å; A269-I324 HydrophobicContact CB-CG2 4.27Å
270	A	98.1	Very high	95.7	Very high	10 Å²	10	38.2 Å²	38.2	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.4	175.7	0	0	0	0	0	109.3	V263 D264 Q312 L315	V263-A270 HydrophobicContact CB-CB 4.34Å; V263-A270 WeakPolarHBondContact CB-O 3.27Å; V263-A270 PolarHBondContact N-O 2.83Å; D264-A270 HydrophobicContact CB-CB 4.12Å; D264-A270 PolarHBondContact N-O 3.02Å; D264-A270 PolarHBondContact O-N 3.43Å; A270-Q312 HydrophobicContact CB-CB 4.09Å; A270-Q312 HydrophobicContact CB-CG 3.75Å; A270-L315 HydrophobicContact CB-CD1 4.25Å
271	L	97.5	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140	-170.6	-61.4	89.3	0	0	0	111.9	L251 Y260 T261 L262 A269 L284 P313 I314 L316	L251-L271 HydrophobicContact CD1-CD2 4.43Å; Y260-L271 HydrophobicContact CD1-CD2 4.47Å; Y260-L271 HydrophobicContact CD2-CD2 3.5Å; Y260-L271 HydrophobicContact CD2-CG 4.24Å; Y260-L271 HydrophobicContact CE2-CD2 3.95Å; Y260-L271 HydrophobicContact CG-CD2 3.8Å; T261-L271 WeakPolarHBondContact O-CA 3.46Å; L262-L271 HydrophobicContact CD1-CG 4.17Å; A269-L271 HydrophobicContact CB-CD1 3.78Å; L271-L284 HydrophobicContact CD2-CD1 4.08Å; L271-P313 WeakPolarHBondContact O-CD 3.03Å; L271-I314 HydrophobicContact CB-CB 4.38Å; L271-I314 PolarHBondContact N-O 2.93Å; L271-I314 PolarHBondContact O-N 3.44Å; L271-L316 HydrophobicContact CD1-CD1 3.54Å; L271-L316 HydrophobicContact CD1-CG 3.66Å; L271-L316 HydrophobicContact CD2-CD1 4.45Å
272	I	97.8	Very high	95.8	Very high	42 Å²	42	40 Å²	40	22%	0.215	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.1	166.7	-54.1	169.7	0	0	0	107.5	Y95 Y260 T261 V263 Q312	Y95-I272 HydrophobicContact CD1-CD1 3.59Å; Y95-I272 HydrophobicContact CE1-CD1 4.01Å; Y95-I272 HydrophobicContact CG-CD1 4.35Å; Y260-I272 CarbonylContact C-O 3.48Å; Y260-I272 VanDerWaalsContact CA-O 3.31Å; Y260-I272 WeakPolarHBondContact CA-O 3.45Å; T261-I272 PolarHBondContact N-O 3.29Å; T261-I272 PolarHBondContact O-N 3.22Å; V263-I272 HydrophobicContact CG2-CD1 3.74Å; V263-I272 HydrophobicContact CG2-CG1 3.91Å; I272-Q312 VanDerWaalsContact CD1-OE1 3.26Å; I272-Q312 HydrophobicContact CG1-CB 4.47Å; I272-Q312 HydrophobicContact CG1-CG 4.47Å
273	P	96.5	Very high	95.7	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.9	173.1	27.1	-32.2	0	0	0	110.2	S277 V280 P313 I314	P273-S277 WeakPolarHBondContact CG-OG 2.96Å; P273-V280 HydrophobicContact CB-CB 4.12Å; P273-V280 HydrophobicContact CB-CG1 4.2Å; P273-V280 HydrophobicContact CB-CG2 4.07Å; P273-P313 HydrophobicContact CG-CB 4.29Å; P273-I314 HydrophobicContact CB-CD1 4.49Å; P273-I314 HydrophobicContact CG-CD1 4.33Å
274	K	94.8	Very high	95.6	Very high	104 Å²	104	40.8 Å²	40.8	45%	0.452	23%	0.225	S	C	.	.	S	Bend	trans	-83.7	-28.2	176.6	-74.5	167.6	173	163.5	0	112.5	P257 D258 N259 Y260 T261	P257-K274 PolarHBondContact O-NZ 2.83Å; D258-K274 WeakPolarHBondContact O-CD 3.41Å; N259-K274 PolarHBondContact O-N 3.26Å; Y260-K274 WeakPolarHBondContact O-CE 3.48Å; Y260-K274 PolarHBondContact O-NZ 3.23Å; T261-K274 WeakPolarHBondContact OG1-CE 3.19Å
275	N	87.1	Confident	95.6	Very high	105 Å²	105	42.3 Å²	42.3	56%	0.561	24%	0.237	S	C	*	.	S	Bend	trans	-118.6	-150.9	-179.7	-60.1	-34.1	0	0	0	109.7	N259 S277	N259-N275 PolarHBondContact OD1-ND2 2.86Å; N275-S277 PolarHBondContact O-N 3.45Å; N275-S277 VanDerWaalsContact O-N 3.1Å
276	D	91.2	Very high	95.6	Very high	89 Å²	89	47.8 Å²	47.8	48%	0.476	26%	0.259	S	S	.	.			trans	-53.3	114.9	177.7	175.9	28.6	0	0	0	112.5	D278 S279 V280	D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.2Å; D276-D278 PolarHBondContact OD1-N 2.83Å; D276-S279 PolarHBondContact O-N 3Å; D276-S279 WeakPolarHBondContact OD2-CB 3.35Å; D276-S279 PolarHBondContact OD2-N 3.11Å; D276-S279 VanDerWaalsContact OD2-N 3.13Å; D276-S279 PolarHBondContact OD2-OG 3.24Å; D276-V280 WeakPolarHBondContact O-CG2 3.45Å; D276-V280 PolarHBondContact O-N 3.4Å; D276-V280 VanDerWaalsContact O-N 3.14Å
277	S	93.8	Very high	95.6	Very high	40 Å²	40	48.4 Å²	48.4	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-36.1	-176.9	-61	0	0	0	0	112.2	P273 N275 V280 F281	P273-S277 WeakPolarHBondContact CG-OG 2.96Å; N275-S277 PolarHBondContact O-N 3.45Å; N275-S277 VanDerWaalsContact O-N 3.1Å; S277-V280 PolarHBondContact O-N 2.89Å; S277-F281 VanDerWaalsContact O-CB 3.28Å; S277-F281 WeakPolarHBondContact O-CB 3.23Å; S277-F281 PolarHBondContact O-N 3.46Å
278	D	95	Very high	95.7	Very high	98 Å²	98	50.7 Å²	50.7	52%	0.524	27%	0.274	S	S	.	.	H	α-helix	trans	-72.2	-40.3	-176.7	-71.8	-27.5	0	0	0	110.9	D276 F281 S282	D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.2Å; D276-D278 PolarHBondContact OD1-N 2.83Å; D278-F281 PolarHBondContact O-N 3.38Å; D278-S282 WeakPolarHBondContact O-CB 3.47Å; D278-S282 PolarHBondContact O-N 3.17Å
279	S	94.3	Very high	95.6	Very high	67 Å²	67	56.2 Å²	56.2	47%	0.469	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-45.9	172.5	-68.9	0	0	0	0	112.4	D276 S282 L283	D276-S279 PolarHBondContact O-N 3Å; D276-S279 WeakPolarHBondContact OD2-CB 3.35Å; D276-S279 PolarHBondContact OD2-N 3.11Å; D276-S279 VanDerWaalsContact OD2-N 3.13Å; D276-S279 PolarHBondContact OD2-OG 3.24Å; S279-S282 PolarHBondContact O-N 3.41Å; S279-L283 PolarHBondContact O-N 3.47Å; S279-L283 VanDerWaalsContact O-N 3.15Å
280	V	95.9	Very high	95.6	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176.9	170.5	0	0	0	0	110.8	L255 N259 P273 D276 S277 S282 L283 L284 I314	L255-V280 HydrophobicContact CD2-CG1 3.67Å; N259-V280 HydrophobicContact CB-CG2 4.28Å; P273-V280 HydrophobicContact CB-CB 4.12Å; P273-V280 HydrophobicContact CB-CG1 4.2Å; P273-V280 HydrophobicContact CB-CG2 4.07Å; D276-V280 WeakPolarHBondContact O-CG2 3.45Å; D276-V280 PolarHBondContact O-N 3.4Å; D276-V280 VanDerWaalsContact O-N 3.14Å; S277-V280 PolarHBondContact O-N 2.89Å; V280-S282 PolarHBondContact O-N 3.45Å; V280-L283 PolarHBondContact O-N 2.96Å; V280-L284 HydrophobicContact CG1-CD1 3.74Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.03Å; V280-I314 HydrophobicContact CB-CD1 4.2Å; V280-I314 HydrophobicContact CG1-CD1 3.68Å
281	F	97.2	Very high	95.6	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.232	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-43.6	176.6	175.2	-101.3	0	0	0	112.4	S277 D278 L283 L284 S285 A293 M295 I314	S277-F281 VanDerWaalsContact O-CB 3.28Å; S277-F281 WeakPolarHBondContact O-CB 3.23Å; S277-F281 PolarHBondContact O-N 3.46Å; D278-F281 PolarHBondContact O-N 3.38Å; F281-L283 VanDerWaalsContact C-N 3.31Å; F281-L283 PolarHBondContact O-N 3.22Å; F281-L284 PolarHBondContact O-N 3.05Å; F281-S285 VanDerWaalsContact O-CB 3.31Å; F281-S285 WeakPolarHBondContact O-CB 3.25Å; F281-S285 PolarHBondContact O-N 3.19Å; F281-S285 PolarHBondContact O-OG 2.88Å; F281-A293 HydrophobicContact CD2-CB 4.29Å; F281-A293 HydrophobicContact CE2-CB 3.8Å; F281-A293 WeakPolarHBondContact CE2-O 3.49Å; F281-M295 HydrophobicContact CB-CG 4.29Å; F281-M295 HydrophobicContact CB-SD 3.67Å; F281-M295 HydrophobicContact CD1-CG 3.99Å; F281-M295 HydrophobicContact CD1-SD 4.47Å; F281-M295 HydrophobicContact CD2-CG 3.6Å; F281-M295 HydrophobicContact CD2-SD 3.79Å; F281-M295 HydrophobicContact CE1-CG 4.23Å; F281-M295 HydrophobicContact CE2-CG 3.87Å; F281-M295 HydrophobicContact CG-CG 3.67Å; F281-M295 HydrophobicContact CG-SD 3.71Å; F281-M295 HydrophobicContact CZ-CG 4.18Å; F281-I314 HydrophobicContact CB-CD1 4Å; F281-I314 HydrophobicContact CB-CG1 4.48Å; F281-I314 HydrophobicContact CD2-CG2 4.46Å
282	S	95.8	Very high	95.7	Very high	52 Å²	52	65.1 Å²	65.1	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-58.9	-41	178.9	-175	0	0	0	0	112.2	D278 S279 V280 S285	D278-S282 WeakPolarHBondContact O-CB 3.47Å; D278-S282 PolarHBondContact O-N 3.17Å; S279-S282 PolarHBondContact O-N 3.41Å; V280-S282 PolarHBondContact O-N 3.45Å; S282-S285 PolarHBondContact O-OG 3.35Å
283	L	95.3	Very high	95.7	Very high	91 Å²	91	63.8 Å²	63.8	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-49.3	174.6	-69	170.9	0	0	0	111.7	L255 S279 V280 F281 S285 K286 C287	L255-L283 HydrophobicContact CD1-CD1 3.78Å; S279-L283 PolarHBondContact O-N 3.47Å; S279-L283 VanDerWaalsContact O-N 3.15Å; V280-L283 PolarHBondContact O-N 2.96Å; F281-L283 VanDerWaalsContact C-N 3.31Å; F281-L283 PolarHBondContact O-N 3.22Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.63Å; L283-K286 PolarHBondContact O-N 3.4Å; L283-K286 VanDerWaalsContact O-N 3.15Å; L283-C287 PolarHBondContact O-N 2.8Å
284	L	96.1	Very high	95.8	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-37.3	-178.8	-70.6	170.8	0	0	0	112.7	L251 L255 L271 V280 F281 K286 C287 M291 I314 L316	L251-L284 HydrophobicContact CD2-CD2 4.22Å; L255-L284 HydrophobicContact CB-CD2 4.27Å; L255-L284 HydrophobicContact CD2-CD1 4.1Å; L255-L284 HydrophobicContact CD2-CD2 3.98Å; L255-L284 HydrophobicContact CD2-CG 4.04Å; L271-L284 HydrophobicContact CD2-CD1 4.08Å; V280-L284 HydrophobicContact CG1-CD1 3.74Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.03Å; F281-L284 PolarHBondContact O-N 3.05Å; L284-K286 PolarHBondContact O-N 2.93Å; L284-K286 VanDerWaalsContact O-N 3.16Å; L284-C287 WeakPolarHBondContact O-CB 3.41Å; L284-C287 PolarHBondContact O-N 2.89Å; L284-C287 VanDerWaalsContact O-N 3.07Å; L284-M291 WeakPolarHBondContact O-CE 3.2Å; L284-I314 HydrophobicContact CD1-CD1 4.3Å; L284-I314 HydrophobicContact CD1-CG2 3.96Å; L284-L316 HydrophobicContact CB-CD2 4.01Å; L284-L316 HydrophobicContact CD1-CD1 4.36Å; L284-L316 HydrophobicContact CD1-CD2 4.26Å; L284-L316 HydrophobicContact CD2-CD1 4.02Å
285	S	96.3	Very high	95.9	Very high	52 Å²	52	61.7 Å²	61.7	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-20.4	177.8	71.7	0	0	0	0	113.8	F281 S282 L283	F281-S285 VanDerWaalsContact O-CB 3.31Å; F281-S285 WeakPolarHBondContact O-CB 3.25Å; F281-S285 PolarHBondContact O-N 3.19Å; F281-S285 PolarHBondContact O-OG 2.88Å; S282-S285 PolarHBondContact O-OG 3.35Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.63Å
286	K	96.3	Very high	96.4	Very high	163 Å²	163	59.4 Å²	59.4	71%	0.709	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	1	178	-63.3	171.2	-174.3	166.3	0	112.7	L283 L284 H288	L283-K286 PolarHBondContact O-N 3.4Å; L283-K286 VanDerWaalsContact O-N 3.15Å; L284-K286 PolarHBondContact O-N 2.93Å; L284-K286 VanDerWaalsContact O-N 3.16Å; K286-H288 PolarHBondContact O-N 2.79Å
287	C	95.8	Very high	96.7	Very high	27 Å²	27	62.9 Å²	62.9	18%	0.182	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-42.8	-171.9	-177.9	0	0	0	0	112.1	C254 L283 L284 M291	C254-C287 HydrophobicContact CB-CB 3.58Å; C254-C287 WeakPolarHBondContact CB-SG 3.37Å; C254-C287 WeakPolarHBondContact SG-CB 3.39Å; C254-C287 CovalentContact SG-SG 2.04Å; C254-C287 PolarHBondContact SG-SG 2.8Å; L283-C287 PolarHBondContact O-N 2.8Å; L284-C287 WeakPolarHBondContact O-CB 3.41Å; L284-C287 PolarHBondContact O-N 2.89Å; L284-C287 VanDerWaalsContact O-N 3.07Å; C287-M291 HydrophobicContact CB-CE 3.71Å
288	H	97.8	Very high	96.9	Very high	47 Å²	47	64.3 Å²	64.3	22%	0.218	34%	0.339	C	S	.	.			trans	-155.3	138.8	-180	-164.1	-92.2	0	0	0	111.9	I249 K286 R290 M291 W322	I249-H288 HydrophobicContact CG1-CB 3.99Å; I249-H288 HydrophobicContact CG2-CB 3.8Å; K286-H288 PolarHBondContact O-N 2.79Å; H288-R290 WeakPolarHBondContact ND1-CB 3.29Å; H288-R290 PolarHBondContact ND1-N 2.92Å; H288-R290 PolarHBondContact O-N 3.37Å; H288-M291 HydrophobicContact CB-CB 4.34Å; H288-M291 PolarHBondContact O-N 3.39Å; H288-W322 AromaticContact CE1-CE3 3.63Å; H288-W322 AromaticContact CE1-CH2 3.45Å; H288-W322 VanDerWaalsContact CE1-CH2 3.45Å; H288-W322 WeakPolarHBondContact CE1-CH2 3.1Å; H288-W322 AromaticContact CE1-CZ3 3.17Å; H288-W322 WeakPolarHBondContact CE1-CZ3 3.49Å; H288-W322 AromaticContact NE2-CH2 3.79Å; H288-W322 AromaticContact NE2-CZ3 3.46Å; H288-W322 WeakPolarHBondContact NE2-CZ3 3.42Å
289	P	97.3	Very high	97	Very high	119 Å²	119	59.7 Å²	59.7	77%	0.773	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.9	-178.2	28.1	-36.9	0	0	0	114.6
290	R	98.1	Very high	97.2	Very high	127 Å²	127	58.1 Å²	58.1	48%	0.479	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	25.1	178.5	-56.4	-69.1	-170	175.5	1.8	113.1	H288 D319 W322	H288-R290 WeakPolarHBondContact ND1-CB 3.29Å; H288-R290 PolarHBondContact ND1-N 2.92Å; H288-R290 PolarHBondContact O-N 3.37Å; R290-D319 WeakPolarHBondContact CA-OD2 3.4Å; R290-D319 HydrophobicContact CB-CB 4.16Å; R290-D319 WeakPolarHBondContact CD-OD2 3.32Å; R290-D319 IonicContact NH1-OD2 3.34Å; R290-D319 PolarHBondContact NH1-OD2 2.94Å; R290-D319 PolarHBondContact O-N 3.12Å; R290-W322 HydrophobicContact CB-CD2 3.67Å; R290-W322 HydrophobicContact CB-CE3 4.24Å; R290-W322 HydrophobicContact CB-CG 3.85Å; R290-W322 HydrophobicContact CB-CZ2 4.25Å; R290-W322 HydrophobicContact CG-CD2 4.04Å; R290-W322 VanDerWaalsContact CG-CE2 3.5Å; R290-W322 HydrophobicContact CG-CH2 4.33Å; R290-W322 HydrophobicContact CG-CZ2 3.67Å
291	M	98.1	Very high	97.3	Very high	11 Å²	11	62.7 Å²	62.7	5%	0.054	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.8	179.9	-172.2	177.5	65.9	0	0	108.4	I249 L284 C287 H288 L316 I317 I324	I249-M291 HydrophobicContact CD1-CB 3.89Å; I249-M291 HydrophobicContact CD1-CG 4.44Å; I249-M291 HydrophobicContact CG2-CE 4.25Å; I249-M291 HydrophobicContact CG2-SD 3.84Å; L284-M291 WeakPolarHBondContact O-CE 3.2Å; C287-M291 HydrophobicContact CB-CE 3.71Å; H288-M291 HydrophobicContact CB-CB 4.34Å; H288-M291 PolarHBondContact O-N 3.39Å; M291-L316 HydrophobicContact CE-CD1 4.13Å; M291-L316 HydrophobicContact CE-CD2 4.35Å; M291-L316 HydrophobicContact CG-CB 4.14Å; M291-L316 HydrophobicContact SD-CB 3.77Å; M291-L316 HydrophobicContact SD-CD1 3.87Å; M291-L316 HydrophobicContact SD-CG 4.26Å; M291-I317 CarbonylContact C-O 3.54Å; M291-I317 WeakPolarHBondContact CA-O 3.47Å; M291-I324 HydrophobicContact CG-CD1 4.21Å; M291-I324 HydrophobicContact SD-CD1 3.76Å; M291-I324 HydrophobicContact SD-CG1 4.21Å
292	T	98.3	Very high	97.3	Very high	59 Å²	59	66 Å²	66	36%	0.362	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.5	173.6	-54.3	0	0	0	0	109.6	Y294 L316 I317	T292-Y294 HydrophobicContact CG2-CD2 4.14Å; T292-Y294 HydrophobicContact CG2-CE1 4.21Å; T292-Y294 HydrophobicContact CG2-CE2 3.41Å; T292-Y294 VanDerWaalsContact CG2-CE2 3.41Å; T292-Y294 VanDerWaalsContact CG2-CZ 3.46Å; T292-L316 WeakPolarHBondContact O-CA 3.5Å; T292-I317 PolarHBondContact N-O 3.24Å; T292-I317 PolarHBondContact O-N 3.43Å
293	A	98.3	Very high	97.4	Very high	14 Å²	14	63.6 Å²	63.6	12%	0.116	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.4	174.9	0	0	0	0	0	110.7	F281 L316	F281-A293 HydrophobicContact CD2-CB 4.29Å; F281-A293 HydrophobicContact CE2-CB 3.8Å; F281-A293 WeakPolarHBondContact CE2-O 3.49Å; A293-L316 HydrophobicContact CB-CD2 3.49Å; A293-L316 VanDerWaalsContact CB-CD2 3.49Å
294	Y	98.6	Very high	97.6	Very high	53 Å²	53	62.3 Å²	62.3	21%	0.208	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.9	172.5	-66.1	-77.8	0	0	0	110.9	T292 S298 I299 P300 I314 L315 I317	T292-Y294 HydrophobicContact CG2-CD2 4.14Å; T292-Y294 HydrophobicContact CG2-CE1 4.21Å; T292-Y294 HydrophobicContact CG2-CE2 3.41Å; T292-Y294 VanDerWaalsContact CG2-CE2 3.41Å; T292-Y294 VanDerWaalsContact CG2-CZ 3.46Å; Y294-S298 WeakPolarHBondContact CD1-O 3.48Å; Y294-I299 HydrophobicContact CG-CG1 4.3Å; Y294-P300 HydrophobicContact CE1-CG 3.84Å; Y294-I314 WeakPolarHBondContact O-CA 3.11Å; Y294-L315 PolarHBondContact N-O 3Å; Y294-L315 PolarHBondContact O-N 2.85Å; Y294-I317 HydrophobicContact CD2-CD1 4.02Å; Y294-I317 HydrophobicContact CD2-CG1 4.48Å; Y294-I317 HydrophobicContact CE2-CD1 3.9Å
295	M	98.4	Very high	97.7	Very high	23 Å²	23	62.7 Å²	62.7	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.8	153.7	-69.1	-66.8	-86.2	0	0	108.1	F281 K297 S298 I299 I314	F281-M295 HydrophobicContact CB-CG 4.29Å; F281-M295 HydrophobicContact CB-SD 3.67Å; F281-M295 HydrophobicContact CD1-CG 3.99Å; F281-M295 HydrophobicContact CD1-SD 4.47Å; F281-M295 HydrophobicContact CD2-CG 3.6Å; F281-M295 HydrophobicContact CD2-SD 3.79Å; F281-M295 HydrophobicContact CE1-CG 4.23Å; F281-M295 HydrophobicContact CE2-CG 3.87Å; F281-M295 HydrophobicContact CG-CG 3.67Å; F281-M295 HydrophobicContact CG-SD 3.71Å; F281-M295 HydrophobicContact CZ-CG 4.18Å; M295-K297 HydrophobicContact CB-CG 4.32Å; M295-K297 PolarHBondContact O-N 3.39Å; M295-S298 CarbonylContact O-C 3.48Å; M295-S298 WeakPolarHBondContact O-CA 3.43Å; M295-S298 PolarHBondContact O-N 3Å; M295-I299 PolarHBondContact O-N 2.95Å; M295-I314 HydrophobicContact SD-CD1 4.36Å; M295-I314 HydrophobicContact SD-CG1 3.74Å
296	K	97.5	Very high	97.7	Very high	56 Å²	56	63.9 Å²	63.9	24%	0.243	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-44.4	-46	-179.8	178.5	177.2	-177.4	164.4	0	114.1	S298 I299 R306 N308 I311 P313	K296-S298 PolarHBondContact O-N 3.1Å; K296-I299 PolarHBondContact O-N 3.26Å; K296-R306 WeakPolarHBondContact CE-O 3.42Å; K296-R306 WeakPolarHBondContact O-CB 3.1Å; K296-N308 WeakPolarHBondContact CE-O 3.4Å; K296-N308 PolarHBondContact NZ-O 2.82Å; K296-I311 HydrophobicContact CD-CB 4.37Å; K296-I311 HydrophobicContact CD-CG2 4.17Å; K296-I311 WeakPolarHBondContact CD-O 3.48Å; K296-I311 HydrophobicContact CG-CG2 3.99Å; K296-I311 PolarHBondContact NZ-O 2.91Å; K296-P313 PolarHBondContact N-O 2.99Å
297	K	96.5	Very high	97.7	Very high	163 Å²	163	61.1 Å²	61.1	71%	0.709	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20	-179.7	66.1	-178.7	178.1	-174.9	0	114.2	M295	M295-K297 HydrophobicContact CB-CG 4.32Å; M295-K297 PolarHBondContact O-N 3.39Å
298	S	97.7	Very high	97.8	Very high	70 Å²	70	61.1 Å²	61.1	49%	0.49	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-108.6	5	-175.5	-53.7	0	0	0	0	112.8	Y294 M295 K296	Y294-S298 WeakPolarHBondContact CD1-O 3.48Å; M295-S298 CarbonylContact O-C 3.48Å; M295-S298 WeakPolarHBondContact O-CA 3.43Å; M295-S298 PolarHBondContact O-N 3Å; K296-S298 PolarHBondContact O-N 3.1Å
299	I	98.4	Very high	97.7	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.313	C	S	.	.	S	Bend	trans	-63.2	129.7	173.3	-63.7	171.3	0	0	0	108.3	Y294 M295 K296 L303 Y305 R306 I311 L315	Y294-I299 HydrophobicContact CG-CG1 4.3Å; M295-I299 PolarHBondContact O-N 2.95Å; K296-I299 PolarHBondContact O-N 3.26Å; I299-L303 HydrophobicContact CG2-CB 4.27Å; I299-L303 HydrophobicContact CG2-CD1 3.98Å; I299-Y305 HydrophobicContact CD1-CD1 4.38Å; I299-Y305 WeakPolarHBondContact CD1-O 3.38Å; I299-Y305 WeakPolarHBondContact CG2-O 3.15Å; I299-R306 HydrophobicContact CB-CB 4.29Å; I299-I311 HydrophobicContact CD1-CG2 4.16Å; I299-L315 HydrophobicContact CD1-CB 4.15Å; I299-L315 HydrophobicContact CD1-CD2 3.99Å
300	P	98.3	Very high	97.7	Very high	34 Å²	34	58 Å²	58	22%	0.221	28%	0.28	C	S	.	.			trans	-57.8	137.7	-176.7	-26.6	34.1	0	0	0	113.5	Y294 R302 L303	Y294-P300 HydrophobicContact CE1-CG 3.84Å; P300-R302 HydrophobicContact CB-CG 4.15Å; P300-R302 PolarHBondContact O-N 2.91Å; P300-R302 VanDerWaalsContact O-N 3.14Å; P300-L303 WeakPolarHBondContact O-CB 3.37Å; P300-L303 PolarHBondContact O-N 3.07Å
301	D	97.8	Very high	97.7	Very high	100 Å²	100	52.1 Å²	52.1	54%	0.535	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-53.5	-37.8	-178.6	-66.5	39.6	0	0	0	112.9	L303 H304 R306	D301-L303 PolarHBondContact O-N 2.88Å; D301-L303 VanDerWaalsContact O-N 3.11Å; D301-H304 PolarHBondContact O-N 3.49Å; D301-R306 VanDerWaalsContact CG-NH1 3.31Å; D301-R306 IonicContact OD1-CZ 2.74Å; D301-R306 VanDerWaalsContact OD1-CZ 3.28Å; D301-R306 IonicContact OD1-NH1 3.36Å; D301-R306 PolarHBondContact OD1-NH1 3.39Å; D301-R306 IonicContact OD1-NH2 3.55Å; D301-R306 PolarHBondContact OD1-NH2 3.32Å; D301-R306 IonicContact OD2-CZ 2.85Å; D301-R306 IonicContact OD2-NH1 3.4Å; D301-R306 IonicContact OD2-NH2 3.42Å; D301-R306 PolarHBondContact OD2-NH2 3.34Å
302	R	97.4	Very high	97.7	Very high	122 Å²	122	52.1 Å²	52.1	46%	0.46	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24	179.9	70	170.4	179.3	85	2	114.1	P300 H304 D340	P300-R302 HydrophobicContact CB-CG 4.15Å; P300-R302 PolarHBondContact O-N 2.91Å; P300-R302 VanDerWaalsContact O-N 3.14Å; R302-H304 VanDerWaalsContact C-N 3.31Å; R302-H304 PolarHBondContact O-CD2 3.07Å; R302-D340 IonicContact CZ-OD1 3.36Å; R302-D340 IonicContact CZ-OD2 2.72Å; R302-D340 IonicContact NH1-OD1 3.51Å; R302-D340 PolarHBondContact NH1-OD1 2.92Å; R302-D340 IonicContact NH1-OD2 2.68Å; R302-D340 PolarHBondContact NH1-OD2 3.41Å; R302-D340 VanDerWaalsContact NH1-OD2 3.16Å; R302-D340 IonicContact NH2-OD1 3.67Å; R302-D340 IonicContact NH2-OD2 3.62Å; R302-D340 PolarHBondContact NH2-OD2 2.96Å
303	L	98.3	Very high	97.7	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-80.6	-16.6	179.8	-64.8	-177.9	0	0	0	111.9	F67 I299 P300 D301 Y305 I317 N341	F67-L303 HydrophobicContact CB-CB 4.28Å; F67-L303 HydrophobicContact CB-CD2 3.93Å; F67-L303 HydrophobicContact CD1-CB 3.98Å; F67-L303 HydrophobicContact CD1-CD1 4.15Å; F67-L303 HydrophobicContact CD1-CD2 4.26Å; F67-L303 HydrophobicContact CD1-CG 4.36Å; F67-L303 HydrophobicContact CD2-CD2 3.91Å; F67-L303 HydrophobicContact CE1-CD1 4.04Å; F67-L303 HydrophobicContact CE2-CD2 4.47Å; F67-L303 HydrophobicContact CG-CB 4.22Å; F67-L303 HydrophobicContact CG-CD1 4.42Å; F67-L303 HydrophobicContact CG-CD2 3.77Å; F67-L303 HydrophobicContact CG-CG 4.36Å; F67-L303 HydrophobicContact CZ-CD1 4.22Å; I299-L303 HydrophobicContact CG2-CB 4.27Å; I299-L303 HydrophobicContact CG2-CD1 3.98Å; P300-L303 WeakPolarHBondContact O-CB 3.37Å; P300-L303 PolarHBondContact O-N 3.07Å; D301-L303 PolarHBondContact O-N 2.88Å; D301-L303 VanDerWaalsContact O-N 3.11Å; L303-Y305 PolarHBondContact O-N 3.02Å; L303-Y305 VanDerWaalsContact O-N 3.16Å; L303-I317 HydrophobicContact CD1-CD1 4.1Å; L303-N341 WeakPolarHBondContact CD2-OD1 3.36Å
304	H	98.3	Very high	97.7	Very high	64 Å²	64	50.9 Å²	50.9	30%	0.296	25%	0.25	S	S	.	.			trans	46.4	46.2	-175.2	-63.8	-77.2	0	0	0	111.9	Y83 E85 D301 R302	Y83-H304 HydrophobicContact CD1-CB 3.87Å; Y83-H304 HydrophobicContact CD2-CB 3.58Å; Y83-H304 AromaticContact CD2-CD2 3.79Å; Y83-H304 AromaticContact CD2-CG 3.39Å; Y83-H304 AromaticContact CD2-ND1 3.67Å; Y83-H304 HydrophobicContact CE1-CB 4.38Å; Y83-H304 AromaticContact CE1-CD2 3.67Å; Y83-H304 HydrophobicContact CE2-CB 4.09Å; Y83-H304 AromaticContact CE2-CD2 3.32Å; Y83-H304 WeakPolarHBondContact CE2-CD2 3.23Å; Y83-H304 AromaticContact CE2-CE1 3.61Å; Y83-H304 AromaticContact CE2-CG 3.41Å; Y83-H304 VanDerWaalsContact CE2-CG 3.41Å; Y83-H304 AromaticContact CE2-ND1 3.59Å; Y83-H304 AromaticContact CE2-NE2 3.45Å; Y83-H304 WeakPolarHBondContact CE2-NE2 3.45Å; Y83-H304 HydrophobicContact CG-CB 3.45Å; Y83-H304 VanDerWaalsContact CG-CB 3.45Å; Y83-H304 AromaticContact CG-CG 3.75Å; Y83-H304 AromaticContact CZ-CD2 3.25Å; Y83-H304 AromaticContact CZ-CG 3.8Å; Y83-H304 AromaticContact CZ-NE2 3.53Å; Y83-H304 PolarHBondContact OH-NE2 3.13Å; E85-H304 VanDerWaalsContact CB-O 3.3Å; E85-H304 WeakPolarHBondContact CB-O 3.35Å; E85-H304 WeakPolarHBondContact CG-O 3.4Å; D301-H304 PolarHBondContact O-N 3.49Å; R302-H304 VanDerWaalsContact C-N 3.31Å; R302-H304 PolarHBondContact O-CD2 3.07Å
305	Y	98.2	Very high	97.7	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	24%	0.241	C	C	.	.			trans	-137.9	54.6	-173.2	-157.1	-90.3	0	0	0	111	F67 I68 A84 E85 L90 I299 L303 I311 L315	F67-Y305 HydrophobicContact CD1-CD1 4.34Å; F67-Y305 AromaticContact CD1-CD2 3.9Å; F67-Y305 HydrophobicContact CD1-CD2 3.9Å; F67-Y305 AromaticContact CD1-CG 3.75Å; F67-Y305 HydrophobicContact CD1-CG 3.75Å; F67-Y305 HydrophobicContact CE1-CD1 4.06Å; F67-Y305 HydrophobicContact CE1-CD2 4.34Å; F67-Y305 AromaticContact CE1-CG 3.95Å; F67-Y305 HydrophobicContact CE1-CG 3.95Å; F67-Y305 WeakPolarHBondContact O-CD2 3.24Å; I68-Y305 HydrophobicContact CG2-CE2 4.43Å; A84-Y305 HydrophobicContact CB-CD2 4.27Å; A84-Y305 HydrophobicContact CB-CE2 4.33Å; E85-Y305 PolarHBondContact OE2-N 2.64Å; L90-Y305 HydrophobicContact CB-CE2 3.95Å; L90-Y305 WeakPolarHBondContact CB-OH 3.44Å; L90-Y305 HydrophobicContact CD2-CD2 4.47Å; L90-Y305 HydrophobicContact CD2-CE2 4Å; L90-Y305 WeakPolarHBondContact O-CE2 3.34Å; L90-Y305 PolarHBondContact O-OH 2.97Å; I299-Y305 HydrophobicContact CD1-CD1 4.38Å; I299-Y305 WeakPolarHBondContact CD1-O 3.38Å; I299-Y305 WeakPolarHBondContact CG2-O 3.15Å; L303-Y305 PolarHBondContact O-N 3.02Å; L303-Y305 VanDerWaalsContact O-N 3.16Å; Y305-I311 HydrophobicContact CD1-CD1 4.05Å; Y305-I311 HydrophobicContact CD1-CG1 4.15Å; Y305-I311 HydrophobicContact CD1-CG2 4.13Å; Y305-I311 HydrophobicContact CE1-CD1 4.4Å; Y305-I311 HydrophobicContact CE1-CG1 4Å; Y305-I311 HydrophobicContact CE1-CG2 4.06Å; Y305-I311 HydrophobicContact CG-CD1 4.22Å; Y305-L315 HydrophobicContact CD1-CD2 4.09Å; Y305-L315 HydrophobicContact CE1-CD1 4.1Å; Y305-L315 HydrophobicContact CE1-CD2 4.21Å
306	R	96.2	Very high	97.7	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	24%	0.236	S	C	.	.	S	Bend	trans	-138.9	-24.8	172.3	69.8	179.3	-176	-155.2	-11.5	114.5	E85 K296 I299 D301 N308	E85-R306 PolarHBondContact OE2-N 3.22Å; K296-R306 WeakPolarHBondContact CE-O 3.42Å; K296-R306 WeakPolarHBondContact O-CB 3.1Å; I299-R306 HydrophobicContact CB-CB 4.29Å; D301-R306 VanDerWaalsContact CG-NH1 3.31Å; D301-R306 IonicContact OD1-CZ 2.74Å; D301-R306 VanDerWaalsContact OD1-CZ 3.28Å; D301-R306 IonicContact OD1-NH1 3.36Å; D301-R306 PolarHBondContact OD1-NH1 3.39Å; D301-R306 IonicContact OD1-NH2 3.55Å; D301-R306 PolarHBondContact OD1-NH2 3.32Å; D301-R306 IonicContact OD2-CZ 2.85Å; D301-R306 IonicContact OD2-NH1 3.4Å; D301-R306 IonicContact OD2-NH2 3.42Å; D301-R306 PolarHBondContact OD2-NH2 3.34Å; R306-N308 PolarHBondContact O-N 3.21Å
307	N	96.7	Very high	97.8	Very high	104 Å²	104	45.2 Å²	45.2	56%	0.556	23%	0.227	S	C	*	.	S	Bend	trans	-94.7	48.5	-169.5	-56	-54.2	0	0	0	113	E85	E85-N307 HydrophobicContact CG-CB 4.42Å; E85-N307 PolarHBondContact OE1-ND2 3.14Å; E85-N307 WeakPolarHBondContact OE2-CB 3.39Å; E85-N307 PolarHBondContact OE2-N 3.42Å; E85-N307 PolarHBondContact OE2-ND2 2.67Å
308	N	97.6	Very high	97.9	Very high	27 Å²	27	37.7 Å²	37.7	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	-145.2	139.9	174.1	-167.4	-66.2	0	0	0	110.8	E85 L90 K296 R306 R310 I311	E85-N308 HydrophobicContact CB-CB 4.2Å; E85-N308 WeakPolarHBondContact O-CB 3.48Å; E85-N308 PolarHBondContact O-ND2 3.05Å; L90-N308 HydrophobicContact CD1-CB 4.49Å; L90-N308 HydrophobicContact CD2-CB 4.32Å; K296-N308 WeakPolarHBondContact CE-O 3.4Å; K296-N308 PolarHBondContact NZ-O 2.82Å; R306-N308 PolarHBondContact O-N 3.21Å; N308-R310 PolarHBondContact O-N 2.68Å; N308-R310 WeakPolarHBondContact OD1-CB 3.46Å; N308-R310 PolarHBondContact OD1-N 2.94Å; N308-I311 HydrophobicContact CB-CD1 3.81Å; N308-I311 HydrophobicContact CB-CG1 4.04Å; N308-I311 WeakPolarHBondContact O-CB 3.46Å; N308-I311 PolarHBondContact O-N 2.98Å; N308-I311 VanDerWaalsContact O-N 3.15Å
309	V	96.7	Very high	97.9	Very high	77 Å²	77	36.8 Å²	36.8	47%	0.467	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.3	-178.7	-60.6	0	0	0	0	113.1	P97 I98 I311	P97-V309 WeakPolarHBondContact CG-O 3.32Å; I98-V309 HydrophobicContact CD1-CB 4.39Å; I98-V309 HydrophobicContact CD1-CG1 4.36Å; I98-V309 HydrophobicContact CD1-CG2 4.01Å; V309-I311 VanDerWaalsContact C-N 3.29Å; V309-I311 PolarHBondContact O-N 3.46Å
310	R	97.4	Very high	97.9	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.087	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.8	178.9	-60.9	166	-178.6	168.7	2	113.5	G88 L90 D96 M112 W113 N308 Q312	G88-R310 PolarHBondContact O-NH1 3.46Å; L90-R310 HydrophobicContact CD1-CB 3.42Å; L90-R310 VanDerWaalsContact CD1-CB 3.42Å; L90-R310 WeakPolarHBondContact CD1-O 3.39Å; D96-R310 HydrophobicContact CB-CG 4.09Å; D96-R310 IonicContact OD2-CZ 2.96Å; D96-R310 IonicContact OD2-NE 3.93Å; D96-R310 PolarHBondContact OD2-NE 3.3Å; D96-R310 IonicContact OD2-NH2 2.93Å; D96-R310 PolarHBondContact OD2-NH2 3.15Å; M112-R310 PolarHBondContact O-NH2 3.26Å; W113-R310 HydrophobicContact CZ3-CG 4.39Å; W113-R310 PolarHBondContact O-NH1 2.72Å; N308-R310 PolarHBondContact O-N 2.68Å; N308-R310 WeakPolarHBondContact OD1-CB 3.46Å; N308-R310 PolarHBondContact OD1-N 2.94Å; R310-Q312 PolarHBondContact O-NE2 2.94Å
311	I	98	Very high	97.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-77.7	124.5	171	-63.7	166.5	0	0	0	108.1	E85 L90 K296 I299 Y305 N308 V309	E85-I311 HydrophobicContact CB-CD1 4.22Å; L90-I311 HydrophobicContact CD1-CB 4.41Å; L90-I311 HydrophobicContact CD1-CG1 3.49Å; L90-I311 VanDerWaalsContact CD1-CG1 3.49Å; L90-I311 HydrophobicContact CD2-CD1 4.28Å; L90-I311 HydrophobicContact CD2-CG1 3.99Å; L90-I311 HydrophobicContact CG-CG1 4.37Å; K296-I311 HydrophobicContact CD-CB 4.37Å; K296-I311 HydrophobicContact CD-CG2 4.17Å; K296-I311 WeakPolarHBondContact CD-O 3.48Å; K296-I311 HydrophobicContact CG-CG2 3.99Å; K296-I311 PolarHBondContact NZ-O 2.91Å; I299-I311 HydrophobicContact CD1-CG2 4.16Å; Y305-I311 HydrophobicContact CD1-CD1 4.05Å; Y305-I311 HydrophobicContact CD1-CG1 4.15Å; Y305-I311 HydrophobicContact CD1-CG2 4.13Å; Y305-I311 HydrophobicContact CE1-CD1 4.4Å; Y305-I311 HydrophobicContact CE1-CG1 4Å; Y305-I311 HydrophobicContact CE1-CG2 4.06Å; Y305-I311 HydrophobicContact CG-CD1 4.22Å; N308-I311 HydrophobicContact CB-CD1 3.81Å; N308-I311 HydrophobicContact CB-CG1 4.04Å; N308-I311 WeakPolarHBondContact O-CB 3.46Å; N308-I311 PolarHBondContact O-N 2.98Å; N308-I311 VanDerWaalsContact O-N 3.15Å; V309-I311 VanDerWaalsContact C-N 3.29Å; V309-I311 PolarHBondContact O-N 3.46Å
312	Q	97.8	Very high	97.9	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.056	18%	0.179	C	C	.	.			trans	-73.9	158.1	-173.4	-52	-51.6	-41.8	0	0	112	Y95 V263 A270 I272 R310 I314	Y95-Q312 PolarHBondContact O-NE2 2.89Å; V263-Q312 HydrophobicContact CB-CG 3.99Å; V263-Q312 HydrophobicContact CG1-CG 4.18Å; V263-Q312 HydrophobicContact CG2-CG 3.9Å; A270-Q312 HydrophobicContact CB-CB 4.09Å; A270-Q312 HydrophobicContact CB-CG 3.75Å; I272-Q312 VanDerWaalsContact CD1-OE1 3.26Å; I272-Q312 HydrophobicContact CG1-CB 4.47Å; I272-Q312 HydrophobicContact CG1-CG 4.47Å; R310-Q312 PolarHBondContact O-NE2 2.94Å; Q312-I314 VanDerWaalsContact C-N 3.29Å; Q312-I314 PolarHBondContact O-N 2.95Å
313	P	97.8	Very high	98	Very high	47 Å²	47	31.1 Å²	31.1	31%	0.305	16%	0.157	S	C	.	.	S	Bend	trans	-57.5	-36.8	-175.4	-29.3	37.3	0	0	0	114.9	L271 P273 K296	L271-P313 WeakPolarHBondContact O-CD 3.03Å; P273-P313 HydrophobicContact CG-CB 4.29Å; K296-P313 PolarHBondContact N-O 2.99Å
314	I	98.3	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.8	179.4	-61.2	171	0	0	0	109.3	L271 P273 V280 F281 L284 Y294 M295 Q312 L316	L271-I314 HydrophobicContact CB-CB 4.38Å; L271-I314 PolarHBondContact N-O 2.93Å; L271-I314 PolarHBondContact O-N 3.44Å; P273-I314 HydrophobicContact CB-CD1 4.49Å; P273-I314 HydrophobicContact CG-CD1 4.33Å; V280-I314 HydrophobicContact CB-CD1 4.2Å; V280-I314 HydrophobicContact CG1-CD1 3.68Å; F281-I314 HydrophobicContact CB-CD1 4Å; F281-I314 HydrophobicContact CB-CG1 4.48Å; F281-I314 HydrophobicContact CD2-CG2 4.46Å; L284-I314 HydrophobicContact CD1-CD1 4.3Å; L284-I314 HydrophobicContact CD1-CG2 3.96Å; Y294-I314 WeakPolarHBondContact O-CA 3.11Å; M295-I314 HydrophobicContact SD-CD1 4.36Å; M295-I314 HydrophobicContact SD-CG1 3.74Å; Q312-I314 VanDerWaalsContact C-N 3.29Å; Q312-I314 PolarHBondContact O-N 2.95Å; I314-L316 HydrophobicContact CG2-CD2 3.88Å; I314-L316 HydrophobicContact CG2-CG 4.46Å
315	L	98.4	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.6	173.6	-166.1	76.5	0	0	0	109.2	F67 V268 A269 A270 Y294 I299 Y305 I317	F67-L315 HydrophobicContact CE1-CD2 3.85Å; F67-L315 HydrophobicContact CZ-CD2 4.06Å; V268-L315 HydrophobicContact CG1-CD1 3.5Å; V268-L315 VanDerWaalsContact CG1-CD1 3.5Å; V268-L315 HydrophobicContact CG1-CD2 4.21Å; V268-L315 HydrophobicContact CG1-CG 3.82Å; A269-L315 CarbonylContact O-C 3.51Å; A269-L315 WeakPolarHBondContact O-CA 3.41Å; A270-L315 HydrophobicContact CB-CD1 4.25Å; Y294-L315 PolarHBondContact N-O 3Å; Y294-L315 PolarHBondContact O-N 2.85Å; I299-L315 HydrophobicContact CD1-CB 4.15Å; I299-L315 HydrophobicContact CD1-CD2 3.99Å; Y305-L315 HydrophobicContact CD1-CD2 4.09Å; Y305-L315 HydrophobicContact CE1-CD1 4.1Å; Y305-L315 HydrophobicContact CE1-CD2 4.21Å; L315-I317 HydrophobicContact CD2-CD1 4.13Å; L315-I317 HydrophobicContact CD2-CG1 4.15Å; L315-I317 HydrophobicContact CG-CG1 4.4Å
316	L	98.6	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.1	174.7	-48.9	177	0	0	0	108.5	L251 V268 A269 L271 L284 M291 T292 A293 I314 I324	L251-L316 HydrophobicContact CD2-CD1 3.64Å; V268-L316 CarbonylContact C-O 3.58Å; V268-L316 WeakPolarHBondContact CA-O 3.45Å; V268-L316 WeakPolarHBondContact CG1-O 3.4Å; A269-L316 HydrophobicContact CB-CB 4.07Å; A269-L316 HydrophobicContact CB-CD1 4.19Å; A269-L316 HydrophobicContact CB-CG 4.36Å; A269-L316 PolarHBondContact N-O 3.22Å; A269-L316 PolarHBondContact O-N 3.11Å; L271-L316 HydrophobicContact CD1-CD1 3.54Å; L271-L316 HydrophobicContact CD1-CG 3.66Å; L271-L316 HydrophobicContact CD2-CD1 4.45Å; L284-L316 HydrophobicContact CB-CD2 4.01Å; L284-L316 HydrophobicContact CD1-CD1 4.36Å; L284-L316 HydrophobicContact CD1-CD2 4.26Å; L284-L316 HydrophobicContact CD2-CD1 4.02Å; M291-L316 HydrophobicContact CE-CD1 4.13Å; M291-L316 HydrophobicContact CE-CD2 4.35Å; M291-L316 HydrophobicContact CG-CB 4.14Å; M291-L316 HydrophobicContact SD-CB 3.77Å; M291-L316 HydrophobicContact SD-CD1 3.87Å; M291-L316 HydrophobicContact SD-CG 4.26Å; T292-L316 WeakPolarHBondContact O-CA 3.5Å; A293-L316 HydrophobicContact CB-CD2 3.49Å; A293-L316 VanDerWaalsContact CB-CD2 3.49Å; I314-L316 HydrophobicContact CG2-CD2 3.88Å; I314-L316 HydrophobicContact CG2-CG 4.46Å; L316-I324 HydrophobicContact CB-CD1 3.82Å
317	I	98.5	Very high	97.6	Very high	10 Å²	10	35 Å²	35	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.1	179.8	-54	179	0	0	0	107.1	F67 V268 M291 T292 Y294 L303 L315	F67-I317 HydrophobicContact CE1-CD1 4.32Å; F67-I317 HydrophobicContact CE2-CD1 3.96Å; F67-I317 HydrophobicContact CZ-CD1 3.43Å; F67-I317 VanDerWaalsContact CZ-CD1 3.43Å; F67-I317 HydrophobicContact CZ-CG1 3.99Å; V268-I317 HydrophobicContact CG1-CG1 4.37Å; V268-I317 HydrophobicContact CG2-CG1 4.28Å; V268-I317 HydrophobicContact CG2-CG2 4.2Å; M291-I317 CarbonylContact C-O 3.54Å; M291-I317 WeakPolarHBondContact CA-O 3.47Å; T292-I317 PolarHBondContact N-O 3.24Å; T292-I317 PolarHBondContact O-N 3.43Å; Y294-I317 HydrophobicContact CD2-CD1 4.02Å; Y294-I317 HydrophobicContact CD2-CG1 4.48Å; Y294-I317 HydrophobicContact CE2-CD1 3.9Å; L303-I317 HydrophobicContact CD1-CD1 4.1Å; L315-I317 HydrophobicContact CD2-CD1 4.13Å; L315-I317 HydrophobicContact CD2-CG1 4.15Å; L315-I317 HydrophobicContact CG-CG1 4.4Å
318	A	98.6	Very high	97.4	Very high	4 Å²	4	32 Å²	32	3%	0.033	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	147.6	170.8	0	0	0	0	0	111.2	I249 P267 W322 I324 Y339	I249-A318 HydrophobicContact CD1-CB 3.97Å; P267-A318 HydrophobicContact CB-CB 4.48Å; P267-A318 WeakPolarHBondContact O-CB 3.3Å; P267-A318 PolarHBondContact O-N 3.15Å; A318-W322 HydrophobicContact CB-CB 4.03Å; A318-I324 HydrophobicContact CB-CD1 4.22Å; A318-I324 HydrophobicContact CB-CG1 3.87Å; A318-Y339 HydrophobicContact CB-CE1 4.35Å
319	D	98.6	Very high	97.1	Very high	51 Å²	51	36 Å²	36	27%	0.273	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-60.7	155.3	164.9	-71	2.9	0	0	0	109.7	R290 G321 W322 Y339	R290-D319 WeakPolarHBondContact CA-OD2 3.4Å; R290-D319 HydrophobicContact CB-CB 4.16Å; R290-D319 WeakPolarHBondContact CD-OD2 3.32Å; R290-D319 IonicContact NH1-OD2 3.34Å; R290-D319 PolarHBondContact NH1-OD2 2.94Å; R290-D319 PolarHBondContact O-N 3.12Å; D319-G321 PolarHBondContact O-N 3.26Å; D319-W322 WeakPolarHBondContact O-CB 3.14Å; D319-W322 PolarHBondContact O-N 3.48Å; D319-Y339 VanDerWaalsContact O-CE1 3.31Å; D319-Y339 WeakPolarHBondContact O-CE1 3.39Å
320	E	98.3	Very high	97	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	132.8	178.9	-171.3	-179.6	-160	0	0	112.5	A241 W322 L343 S345	A241-E320 HydrophobicContact CB-CG 4Å; E320-W322 PolarHBondContact O-N 2.96Å; E320-L343 HydrophobicContact CB-CD1 3.82Å; E320-L343 HydrophobicContact CB-CD2 4.25Å; E320-L343 HydrophobicContact CG-CD1 4.14Å; E320-S345 WeakPolarHBondContact OE1-CB 3.45Å; E320-S345 PolarHBondContact OE1-OG 3.45Å
321	G	97.6	Very high	96.9	Very high	8 Å²	8	41.2 Å²	41.2	8%	0.082	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-4.3	179.2	0	0	0	0	0	115.4	Q242 H247 D319	Q242-G321 WeakPolarHBondContact O-CA 3.21Å; H247-G321 WeakPolarHBondContact CB-O 3.34Å; D319-G321 PolarHBondContact O-N 3.26Å
322	W	98.5	Very high	96.7	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.163	23%	0.232	C	C	.	.			trans	-88.1	150.5	167	-70.9	76.9	0	0	0	111.1	H247 I249 H288 R290 A318 D319 E320 Y339	H247-W322 HydrophobicContact CB-CD2 3.7Å; H247-W322 HydrophobicContact CB-CE3 3.85Å; H247-W322 HydrophobicContact CB-CG 4.06Å; H247-W322 HydrophobicContact CB-CH2 4.46Å; H247-W322 HydrophobicContact CB-CZ2 4.32Å; H247-W322 HydrophobicContact CB-CZ3 4.24Å; H247-W322 AromaticContact CD2-CZ2 3.81Å; H247-W322 AromaticContact CG-CE2 3.98Å; H247-W322 WeakPolarHBondContact O-CA 3.47Å; I249-W322 HydrophobicContact CD1-CB 3.96Å; I249-W322 HydrophobicContact CD1-CE3 4.21Å; I249-W322 HydrophobicContact CG1-CE3 3.87Å; I249-W322 HydrophobicContact CG1-CZ3 4.5Å; H288-W322 AromaticContact CE1-CE3 3.63Å; H288-W322 AromaticContact CE1-CH2 3.45Å; H288-W322 VanDerWaalsContact CE1-CH2 3.45Å; H288-W322 WeakPolarHBondContact CE1-CH2 3.1Å; H288-W322 AromaticContact CE1-CZ3 3.17Å; H288-W322 WeakPolarHBondContact CE1-CZ3 3.49Å; H288-W322 AromaticContact NE2-CH2 3.79Å; H288-W322 AromaticContact NE2-CZ3 3.46Å; H288-W322 WeakPolarHBondContact NE2-CZ3 3.42Å; R290-W322 HydrophobicContact CB-CD2 3.67Å; R290-W322 HydrophobicContact CB-CE3 4.24Å; R290-W322 HydrophobicContact CB-CG 3.85Å; R290-W322 HydrophobicContact CB-CZ2 4.25Å; R290-W322 HydrophobicContact CG-CD2 4.04Å; R290-W322 VanDerWaalsContact CG-CE2 3.5Å; R290-W322 HydrophobicContact CG-CH2 4.33Å; R290-W322 HydrophobicContact CG-CZ2 3.67Å; A318-W322 HydrophobicContact CB-CB 4.03Å; D319-W322 WeakPolarHBondContact O-CB 3.14Å; D319-W322 PolarHBondContact O-N 3.48Å; E320-W322 PolarHBondContact O-N 2.96Å; W322-Y339 VanDerWaalsContact O-CE1 3.29Å; W322-Y339 WeakPolarHBondContact O-CE1 3.37Å; W322-Y339 PolarHBondContact O-OH 3.34Å
323	T	98.5	Very high	96.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.5	-178	-55.7	0	0	0	0	109.3	H247 L248 I249 T266 V325 L331 P332	H247-T323 PolarHBondContact O-N 3.34Å; L248-T323 WeakPolarHBondContact CA-O 3.36Å; L248-T323 HydrophobicContact CD2-CG2 4.25Å; I249-T323 PolarHBondContact N-O 3.12Å; T266-T323 VanDerWaalsContact OG1-CG2 3.29Å; T266-T323 WeakPolarHBondContact OG1-CG2 3.17Å; T323-V325 HydrophobicContact CG2-CG1 3.98Å; T323-L331 HydrophobicContact CG2-CD1 4.43Å; T323-P332 HydrophobicContact CG2-CG 4.17Å
324	I	98.1	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.8	172	-50.7	178.4	0	0	0	107.9	I249 L251 L265 T266 P267 A269 M291 L316 A318	I249-I324 HydrophobicContact CD1-CG1 4.21Å; I249-I324 WeakPolarHBondContact O-CA 3.5Å; L251-I324 HydrophobicContact CD1-CG2 3.93Å; L251-I324 HydrophobicContact CD2-CG2 3.71Å; L251-I324 HydrophobicContact CG-CG2 3.69Å; L265-I324 HydrophobicContact CD1-CG2 4.05Å; T266-I324 WeakPolarHBondContact CB-O 3.49Å; P267-I324 WeakPolarHBondContact O-CD1 3.37Å; A269-I324 HydrophobicContact CB-CD1 4.03Å; A269-I324 HydrophobicContact CB-CG2 4.27Å; M291-I324 HydrophobicContact CG-CD1 4.21Å; M291-I324 HydrophobicContact SD-CD1 3.76Å; M291-I324 HydrophobicContact SD-CG1 4.21Å; L316-I324 HydrophobicContact CB-CD1 3.82Å; A318-I324 HydrophobicContact CB-CD1 4.22Å; A318-I324 HydrophobicContact CB-CG1 3.87Å
325	V	97.1	Very high	96.6	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.4	173.9	-62.4	0	0	0	0	109.1	L248 I249 R250 L251 T323 P332	L248-V325 HydrophobicContact CB-CG2 4.33Å; L248-V325 HydrophobicContact CD2-CG1 4.15Å; I249-V325 PolarHBondContact O-N 2.93Å; I249-V325 VanDerWaalsContact O-O 3.14Å; R250-V325 WeakPolarHBondContact CA-O 3.29Å; R250-V325 HydrophobicContact CB-CG2 4.47Å; R250-V325 HydrophobicContact CG-CG2 3.79Å; L251-V325 PolarHBondContact N-O 2.62Å; T323-V325 HydrophobicContact CG2-CG1 3.98Å; V325-P332 HydrophobicContact CG1-CG 4.18Å
326	K	94.5	Very high	96.6	Very high	88 Å²	88	49.5 Å²	49.5	38%	0.383	25%	0.25	S	S	.	.	S	Bend	trans	-65.7	-56.5	174.4	-175.1	176.2	178	-176	0	110.7	L251 D252	L251-K326 PolarHBondContact N-O 2.85Å; D252-K326 WeakPolarHBondContact CB-O 3.37Å; D252-K326 PolarHBondContact N-O 3.42Å; D252-K326 WeakPolarHBondContact OD1-CG 3.37Å
327	Q	92.9	Very high	96.6	Very high	139 Å²	139	49.8 Å²	49.8	65%	0.65	25%	0.252	S	S	*	.	S	Bend	trans	-152.3	166.9	-178.3	61.3	176.8	11	0	0	111.5	D252	D252-Q327 HydrophobicContact CB-CB 4.3Å
328	G	92.4	Very high	96.6	Very high	40 Å²	40	49.3 Å²	49.3	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	78.4	-173.7	173.5	0	0	0	0	0	114.3	R250	R250-G328 WeakPolarHBondContact CD-O 3.47Å; R250-G328 PolarHBondContact NE-O 3.43Å
329	N	92.4	Very high	96.6	Very high	112 Å²	112	49.1 Å²	49.1	60%	0.599	25%	0.248	S	C	*	.	S	Bend	trans	-117.4	12.4	-172.5	-62.4	-19.2	0	0	0	113.1	R250 L331	R250-N329 PolarHBondContact NE-OD1 2.95Å; R250-N329 PolarHBondContact NH2-OD1 3.32Å; N329-L331 PolarHBondContact O-N 3.19Å
330	K	94.4	Very high	96.6	Very high	179 Å²	179	47.9 Å²	47.9	78%	0.778	24%	0.241	S	C	*	.			trans	-84.4	114.9	-178.1	-173.9	179	178.5	-177.2	0	109.3	P332	K330-P332 WeakPolarHBondContact O-CD 3.35Å
331	L	95.1	Very high	96.6	Very high	30 Å²	30	44.5 Å²	44.5	16%	0.157	23%	0.225	C	C	.	.			trans	-67	125.5	169.4	-176.2	66.5	0	0	0	109.7	C243 A245 L248 T323 N329 R333 L334	C243-L331 HydrophobicContact CB-CD1 3.84Å; C243-L331 HydrophobicContact CB-CD2 4.29Å; A245-L331 HydrophobicContact CB-CB 4.06Å; L248-L331 HydrophobicContact CD2-CD1 3.85Å; T323-L331 HydrophobicContact CG2-CD1 4.43Å; N329-L331 PolarHBondContact O-N 3.19Å; L331-R333 VanDerWaalsContact CD2-O 3.32Å; L331-R333 WeakPolarHBondContact CD2-O 3.44Å; L331-R333 WeakPolarHBondContact CG-O 3.42Å; L331-L334 HydrophobicContact CD2-CD2 3.85Å
332	P	94.2	Very high	96.6	Very high	71 Å²	71	47.5 Å²	47.5	46%	0.461	25%	0.245	S	C	.	.	S	Bend	trans	-68.2	-36.1	-178	-21.9	34	0	0	0	113.8	T323 V325 K330	T323-P332 HydrophobicContact CG2-CG 4.17Å; V325-P332 HydrophobicContact CG1-CG 4.18Å; K330-P332 WeakPolarHBondContact O-CD 3.35Å
333	R	96.1	Very high	96.6	Very high	91 Å²	91	47.2 Å²	47.2	34%	0.343	25%	0.247	S	C	.	.			trans	-158.5	153.8	-174.4	55.6	-176	97.6	-160	1.1	110.8	H193 L331 G335 D336	H193-R333 HydrophobicContact CB-CB 4.49Å; H193-R333 PolarHBondContact CD2-NH1 3.27Å; H193-R333 VanDerWaalsContact CE1-CD 3.48Å; H193-R333 WeakPolarHBondContact CE1-CD 3.47Å; H193-R333 PolarHBondContact CE1-NH1 3.24Å; H193-R333 WeakPolarHBondContact ND1-CD 3.45Å; H193-R333 PolarHBondContact NE2-NH1 2.63Å; L331-R333 VanDerWaalsContact CD2-O 3.32Å; L331-R333 WeakPolarHBondContact CD2-O 3.44Å; L331-R333 WeakPolarHBondContact CG-O 3.42Å; R333-G335 WeakPolarHBondContact CD-O 3.25Å; R333-G335 WeakPolarHBondContact CG-O 3.03Å; R333-D336 HydrophobicContact CG-CB 4.11Å; R333-D336 IonicContact NE-OD1 3.28Å; R333-D336 IonicContact NE-OD2 3.3Å
334	L	98	Very high	96.6	Very high	78 Å²	78	50.8 Å²	50.8	41%	0.408	27%	0.27	S	S	.	.	S	Bend	trans	-84.3	-25.5	-176	-73.4	178.2	0	0	0	113.2	H193 A194 Q242 C243 L331	H193-L334 PolarHBondContact O-N 2.85Å; A194-L334 WeakPolarHBondContact O-CD1 3.27Å; Q242-L334 PolarHBondContact NE2-O 3.43Å; C243-L334 PolarHBondContact N-O 3.2Å; L331-L334 HydrophobicContact CD2-CD2 3.85Å
335	G	98.4	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.2	163.2	0	0	0	0	0	110.4	G192 H193 A241 R333	G192-G335 WeakPolarHBondContact O-CA 3.47Å; G192-G335 PolarHBondContact O-N 3.17Å; H193-G335 WeakPolarHBondContact CA-O 3.5Å; H193-G335 PolarHBondContact ND1-O 2.9Å; H193-G335 PolarHBondContact O-N 3.19Å; A241-G335 CarbonylContact O-C 3.51Å; A241-G335 WeakPolarHBondContact O-CA 3.33Å; R333-G335 WeakPolarHBondContact CD-O 3.25Å; R333-G335 WeakPolarHBondContact CG-O 3.03Å
336	D	98.2	Very high	96.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.2	170.6	-154.1	-2.6	0	0	0	110.2	K70 H193 M240 A241 C243 T266 R333 Y339	K70-D336 IonicContact NZ-OD1 3.28Å; K70-D336 PolarHBondContact NZ-OD1 3.07Å; H193-D336 IonicContact CE1-OD1 3.64Å; M240-D336 PolarHBondContact SD-N 3.33Å; M240-D336 VanDerWaalsContact SD-N 3.36Å; A241-D336 PolarHBondContact N-O 3.34Å; A241-D336 PolarHBondContact O-N 2.95Å; C243-D336 WeakPolarHBondContact SG-CB 3.39Å; C243-D336 PolarHBondContact SG-N 3.25Å; C243-D336 VanDerWaalsContact SG-N 3.44Å; T266-D336 PolarHBondContact OG1-OD2 3.31Å; R333-D336 HydrophobicContact CG-CB 4.11Å; R333-D336 IonicContact NE-OD1 3.28Å; R333-D336 IonicContact NE-OD2 3.3Å; D336-Y339 HydrophobicContact CB-CE2 4.5Å
337	H	98.4	Very high	96.8	Very high	6 Å²	6	47 Å²	47	3%	0.028	25%	0.253	C	S	.	.			trans	-142.5	166.3	178.1	62.7	90.3	0	0	0	108.4	T69 K70 D189 H193 H238 G239 P267 M346	T69-H337 PolarHBondContact O-ND1 2.93Å; K70-H337 VanDerWaalsContact CE-O 3.23Å; K70-H337 WeakPolarHBondContact CE-O 3.34Å; K70-H337 PolarHBondContact NZ-O 2.83Å; D189-H337 IonicContact OD1-CD2 2.67Å; D189-H337 PolarHBondContact OD1-CD2 3.33Å; D189-H337 IonicContact OD1-NE2 3.85Å; D189-H337 PolarHBondContact OD1-NE2 3.32Å; H193-H337 AromaticContact CE1-CD2 3.21Å; H193-H337 PolarHBondContact CE1-CD2 3.08Å; H193-H337 AromaticContact CE1-NE2 3.38Å; H193-H337 PolarHBondContact CE1-NE2 3.08Å; H193-H337 AromaticContact NE2-CD2 3.53Å; H193-H337 AromaticContact NE2-NE2 3.23Å; H193-H337 PolarHBondContact NE2-NE2 3.09Å; H238-H337 AromaticContact CD2-CE1 3.84Å; H238-H337 AromaticContact CD2-ND1 3.52Å; H238-H337 AromaticContact CE1-CD2 3.41Å; H238-H337 PolarHBondContact CE1-CD2 3.16Å; H238-H337 VanDerWaalsContact CE1-CD2 3.41Å; H238-H337 AromaticContact CE1-CE1 3.22Å; H238-H337 PolarHBondContact CE1-CE1 2.91Å; H238-H337 AromaticContact CE1-CG 3.29Å; H238-H337 AromaticContact CE1-ND1 3.17Å; H238-H337 PolarHBondContact CE1-ND1 3.22Å; H238-H337 AromaticContact CE1-NE2 3.46Å; H238-H337 PolarHBondContact CE1-NE2 2.84Å; H238-H337 AromaticContact CG-ND1 3.7Å; H238-H337 AromaticContact ND1-CD2 3.9Å; H238-H337 AromaticContact ND1-CE1 3.99Å; H238-H337 AromaticContact ND1-CG 3.4Å; H238-H337 AromaticContact ND1-ND1 3.47Å; H238-H337 PolarHBondContact ND1-ND1 3.24Å; H238-H337 AromaticContact NE2-CE1 3Å; H238-H337 PolarHBondContact NE2-CE1 3.22Å; H238-H337 AromaticContact NE2-CG 3.76Å; H238-H337 AromaticContact NE2-ND1 3.11Å; H238-H337 PolarHBondContact NE2-ND1 3.23Å; H238-H337 VanDerWaalsContact NE2-ND1 3.11Å; H238-H337 AromaticContact NE2-NE2 3.67Å; G239-H337 WeakPolarHBondContact O-CB 3.41Å; P267-H337 WeakPolarHBondContact CD-O 3.4Å; P267-H337 WeakPolarHBondContact CG-O 3.23Å; H337-M346 HydrophobicContact CB-CE 4.31Å; H337-M346 HydrophobicContact CB-SD 4.01Å
338	G	98.1	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.			trans	118.6	-2.2	-176.1	0	0	0	0	0	113.1	T69 V268	T69-G338 WeakPolarHBondContact O-CA 3.39Å; T69-G338 PolarHBondContact O-N 3.2Å; T69-G338 WeakPolarHBondContact OG1-CA 3.28Å; T69-G338 PolarHBondContact OG1-N 3.25Å; V268-G338 WeakPolarHBondContact CG2-O 3.48Å
339	Y	98.5	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-62.7	-174.9	176.6	-60.4	-82.7	0	0	0	112.1	T69 A241 P267 A318 D319 W322 D336 N341 L343 M346	T69-Y339 PolarHBondContact OG1-N 3.04Å; A241-Y339 HydrophobicContact CB-CD2 4.17Å; A241-Y339 HydrophobicContact CB-CE2 3.83Å; P267-Y339 HydrophobicContact CB-CD1 3.64Å; P267-Y339 HydrophobicContact CB-CD2 4.37Å; P267-Y339 HydrophobicContact CB-CE1 3.25Å; P267-Y339 HydrophobicContact CB-CE2 4.03Å; P267-Y339 HydrophobicContact CB-CG 4.18Å; P267-Y339 VanDerWaalsContact CB-CZ 3.45Å; P267-Y339 HydrophobicContact CG-CD1 3.78Å; P267-Y339 HydrophobicContact CG-CD2 3.82Å; P267-Y339 HydrophobicContact CG-CE1 3.78Å; P267-Y339 HydrophobicContact CG-CE2 3.79Å; P267-Y339 HydrophobicContact CG-CG 3.79Å; A318-Y339 HydrophobicContact CB-CE1 4.35Å; D319-Y339 VanDerWaalsContact O-CE1 3.31Å; D319-Y339 WeakPolarHBondContact O-CE1 3.39Å; W322-Y339 VanDerWaalsContact O-CE1 3.29Å; W322-Y339 WeakPolarHBondContact O-CE1 3.37Å; W322-Y339 PolarHBondContact O-OH 3.34Å; D336-Y339 HydrophobicContact CB-CE2 4.5Å; Y339-N341 PolarHBondContact O-N 2.91Å; Y339-L343 HydrophobicContact CG-CD1 4.34Å; Y339-M346 HydrophobicContact CD2-CE 3.94Å; Y339-M346 HydrophobicContact CD2-SD 3.81Å; Y339-M346 HydrophobicContact CG-SD 4.42Å
340	D	98.4	Very high	97.7	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	17%	0.174	C	C	.	.			trans	-56	129.4	174.3	-163.8	-62.9	0	0	0	111.4	R302 S342 L343	R302-D340 IonicContact CZ-OD1 3.36Å; R302-D340 IonicContact CZ-OD2 2.72Å; R302-D340 IonicContact NH1-OD1 3.51Å; R302-D340 PolarHBondContact NH1-OD1 2.92Å; R302-D340 IonicContact NH1-OD2 2.68Å; R302-D340 PolarHBondContact NH1-OD2 3.41Å; R302-D340 VanDerWaalsContact NH1-OD2 3.16Å; R302-D340 IonicContact NH2-OD1 3.67Å; R302-D340 IonicContact NH2-OD2 3.62Å; R302-D340 PolarHBondContact NH2-OD2 2.96Å; D340-S342 PolarHBondContact O-N 2.82Å; D340-S342 VanDerWaalsContact O-N 3.14Å; D340-S342 VanDerWaalsContact OD1-CB 3.29Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.5Å; D340-S342 PolarHBondContact OD1-OG 3.06Å; D340-L343 HydrophobicContact CB-CD1 4.3Å; D340-L343 HydrophobicContact CB-CG 4.37Å; D340-L343 WeakPolarHBondContact O-CB 3.2Å; D340-L343 WeakPolarHBondContact O-CG 3.15Å; D340-L343 PolarHBondContact O-N 3.06Å; D340-L343 VanDerWaalsContact O-N 3.12Å
341	N	98.1	Very high	97.9	Very high	15 Å²	15	24.6 Å²	24.6	8%	0.08	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	0.1	-177	68.4	-32.5	0	0	0	113.8	N65 F67 T69 L303 Y339 L343 H347	N65-N341 WeakPolarHBondContact O-CB 3.29Å; N65-N341 PolarHBondContact O-ND2 3Å; F67-N341 HydrophobicContact CB-CB 4.29Å; T69-N341 HydrophobicContact CG2-CB 3.56Å; L303-N341 WeakPolarHBondContact CD2-OD1 3.36Å; Y339-N341 PolarHBondContact O-N 2.91Å; N341-L343 VanDerWaalsContact C-N 3.34Å; N341-H347 PolarHBondContact O-CD2 3.04Å; N341-H347 PolarHBondContact O-NE2 3.16Å
342	S	97.6	Very high	98.1	Very high	72 Å²	72	23.2 Å²	23.2	50%	0.503	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.6	167.6	61.9	0	0	0	0	113.6	D340 P344	D340-S342 PolarHBondContact O-N 2.82Å; D340-S342 VanDerWaalsContact O-N 3.14Å; D340-S342 VanDerWaalsContact OD1-CB 3.29Å; D340-S342 WeakPolarHBondContact OD1-CB 3.48Å; D340-S342 PolarHBondContact OD1-N 3.5Å; D340-S342 PolarHBondContact OD1-OG 3.06Å; S342-P344 WeakPolarHBondContact O-CD 3.4Å
343	L	98.4	Very high	98.2	Very high	36 Å²	36	20.5 Å²	20.5	19%	0.188	11%	0.112	C	C	.	.	S	Bend	trans	-74.3	126	-178.8	-65.4	167.8	0	0	0	110.6	E320 Y339 D340 N341 S345 M346 H347	E320-L343 HydrophobicContact CB-CD1 3.82Å; E320-L343 HydrophobicContact CB-CD2 4.25Å; E320-L343 HydrophobicContact CG-CD1 4.14Å; Y339-L343 HydrophobicContact CG-CD1 4.34Å; D340-L343 HydrophobicContact CB-CD1 4.3Å; D340-L343 HydrophobicContact CB-CG 4.37Å; D340-L343 WeakPolarHBondContact O-CB 3.2Å; D340-L343 WeakPolarHBondContact O-CG 3.15Å; D340-L343 PolarHBondContact O-N 3.06Å; D340-L343 VanDerWaalsContact O-N 3.12Å; N341-L343 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 2.77Å; L343-S345 VanDerWaalsContact O-N 3.08Å; L343-M346 HydrophobicContact CB-CG 4.03Å; L343-M346 HydrophobicContact CD1-CG 4.48Å; L343-M346 WeakPolarHBondContact O-CB 3.38Å; L343-M346 PolarHBondContact O-N 3.18Å; L343-H347 PolarHBondContact O-CD2 2.83Å
344	P	98.1	Very high	98.3	Very high	77 Å²	77	16.9 Å²	16.9	50%	0.5	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-57.2	-27.2	177	-27	35.5	0	0	0	113.8	S342 M346 H347	S342-P344 WeakPolarHBondContact O-CD 3.4Å; P344-M346 PolarHBondContact O-N 3.31Å; P344-H347 PolarHBondContact O-N 2.88Å
345	S	98.4	Very high	98.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-66	-19.7	176	58.1	0	0	0	0	114.6	R38 G239 M240 E320 L343	R38-S345 WeakPolarHBondContact CD-O 3.46Å; R38-S345 WeakPolarHBondContact CG-O 3.47Å; G239-S345 CarbonylContact C-O 3.57Å; G239-S345 WeakPolarHBondContact CA-O 3.49Å; M240-S345 PolarHBondContact N-O 3.36Å; E320-S345 WeakPolarHBondContact OE1-CB 3.45Å; E320-S345 PolarHBondContact OE1-OG 3.45Å; L343-S345 PolarHBondContact O-N 2.77Å; L343-S345 VanDerWaalsContact O-N 3.08Å
346	M	98.7	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-95	-7.1	179.7	-60.6	-64.8	96.5	0	0	112.8	N65 T69 H238 G239 A241 H337 Y339 L343 P344 P348	N65-M346 PolarHBondContact ND2-O 2.83Å; N65-M346 VanDerWaalsContact ND2-O 3.08Å; N65-M346 PolarHBondContact OD1-O 3.25Å; T69-M346 HydrophobicContact CG2-CB 3.86Å; T69-M346 HydrophobicContact CG2-CG 4.25Å; T69-M346 PolarHBondContact OG1-SD 3.38Å; H238-M346 CarbonylContact C-O 3.57Å; H238-M346 WeakPolarHBondContact CA-O 3.5Å; G239-M346 VanDerWaalsContact N-C 3.3Å; G239-M346 PolarHBondContact N-O 3.37Å; A241-M346 HydrophobicContact CB-CE 3.74Å; H337-M346 HydrophobicContact CB-CE 4.31Å; H337-M346 HydrophobicContact CB-SD 4.01Å; Y339-M346 HydrophobicContact CD2-CE 3.94Å; Y339-M346 HydrophobicContact CD2-SD 3.81Å; Y339-M346 HydrophobicContact CG-SD 4.42Å; L343-M346 HydrophobicContact CB-CG 4.03Å; L343-M346 HydrophobicContact CD1-CG 4.48Å; L343-M346 WeakPolarHBondContact O-CB 3.38Å; L343-M346 PolarHBondContact O-N 3.18Å; P344-M346 PolarHBondContact O-N 3.31Å; M346-P348 WeakPolarHBondContact O-CD 3.46Å
347	H	98.7	Very high	98	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.06	11%	0.111	C	C	.	.			trans	-83.5	124.7	-175.7	-63.3	165.2	0	0	0	111.4	A39 Q62 L63 N341 L343 P344	A39-H347 WeakPolarHBondContact CB-O 3.39Å; A39-H347 PolarHBondContact N-O 3.45Å; Q62-H347 HydrophobicContact CB-CB 4.2Å; Q62-H347 HydrophobicContact CG-CB 4.38Å; L63-H347 WeakPolarHBondContact O-CB 3.39Å; N341-H347 PolarHBondContact O-CD2 3.04Å; N341-H347 PolarHBondContact O-NE2 3.16Å; L343-H347 PolarHBondContact O-CD2 2.83Å; P344-H347 PolarHBondContact O-N 2.88Å
348	P	98.4	Very high	97.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-82.1	178	165.6	33.7	-30.8	0	0	0	110.7	Q62 L63 N65 S236 M346	Q62-P348 CarbonylContact C-O 3.59Å; Q62-P348 WeakPolarHBondContact CA-O 3.41Å; L63-P348 HydrophobicContact CB-CG 4.09Å; L63-P348 HydrophobicContact CD1-CG 4.49Å; L63-P348 PolarHBondContact N-O 3.15Å; L63-P348 WeakPolarHBondContact O-CD 3.23Å; N65-P348 HydrophobicContact CB-CG 4.44Å; S236-P348 WeakPolarHBondContact O-CG 3.29Å; M346-P348 WeakPolarHBondContact O-CD 3.46Å
349	F	98.6	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.			trans	-109.3	173.2	172.8	72	-82.1	0	0	0	110.8	F37 A39 L42 L50 L59 V234 T235 A351	F37-F349 HydrophobicContact CB-CE1 4.21Å; F37-F349 AromaticContact CD1-CE1 3.7Å; F37-F349 HydrophobicContact CD1-CE1 3.7Å; F37-F349 HydrophobicContact CD1-CZ 4.17Å; F37-F349 HydrophobicContact CD2-CD1 4.3Å; F37-F349 AromaticContact CD2-CE1 3.75Å; F37-F349 HydrophobicContact CD2-CE1 3.75Å; F37-F349 AromaticContact CE1-CE1 3.87Å; F37-F349 HydrophobicContact CE1-CE1 3.87Å; F37-F349 HydrophobicContact CE1-CZ 4.09Å; F37-F349 AromaticContact CE2-CE1 3.92Å; F37-F349 HydrophobicContact CE2-CE1 3.92Å; F37-F349 HydrophobicContact CG-CD1 4.47Å; F37-F349 AromaticContact CG-CE1 3.64Å; F37-F349 HydrophobicContact CG-CE1 3.64Å; F37-F349 AromaticContact CZ-CE1 3.98Å; F37-F349 HydrophobicContact CZ-CE1 3.98Å; F37-F349 HydrophobicContact CZ-CZ 4.4Å; A39-F349 HydrophobicContact CB-CB 4.28Å; L42-F349 HydrophobicContact CD1-CB 4.26Å; L42-F349 HydrophobicContact CD1-CD1 3.42Å; L42-F349 VanDerWaalsContact CD1-CD1 3.42Å; L42-F349 HydrophobicContact CD1-CD2 4.28Å; L42-F349 HydrophobicContact CD1-CE1 3.77Å; L42-F349 HydrophobicContact CD1-CG 3.71Å; L42-F349 HydrophobicContact CD1-CZ 4.35Å; L42-F349 HydrophobicContact CD2-CD2 4.27Å; L42-F349 HydrophobicContact CD2-CG 4.28Å; L50-F349 HydrophobicContact CD1-CE2 3.86Å; L50-F349 HydrophobicContact CD1-CZ 4.15Å; L50-F349 HydrophobicContact CD2-CE1 4.29Å; L50-F349 HydrophobicContact CD2-CE2 3.89Å; L50-F349 HydrophobicContact CD2-CZ 3.64Å; L50-F349 HydrophobicContact CG-CE2 4.47Å; L59-F349 HydrophobicContact CD1-CD2 4.26Å; V234-F349 HydrophobicContact CG1-CZ 4.33Å; T235-F349 WeakPolarHBondContact CA-O 3.31Å; T235-F349 PolarHBondContact OG1-O 3.33Å; F349-A351 HydrophobicContact CD2-CB 4.17Å; F349-A351 HydrophobicContact CE2-CB 3.85Å
350	L	98.7	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.3	165	-176.7	152	0	0	0	110.7	L59 V60 L63 I233 A352 V371	L59-L350 CarbonylContact C-O 3.51Å; L59-L350 WeakPolarHBondContact CA-O 3Å; V60-L350 HydrophobicContact CB-CB 4.09Å; V60-L350 HydrophobicContact CG2-CB 4.24Å; V60-L350 HydrophobicContact CG2-CD2 4.13Å; V60-L350 PolarHBondContact N-O 2.8Å; V60-L350 PolarHBondContact O-N 3.46Å; V60-L350 VanDerWaalsContact O-N 3.12Å; L63-L350 HydrophobicContact CD1-CB 4.06Å; L63-L350 HydrophobicContact CD1-CD1 4.35Å; L63-L350 HydrophobicContact CD2-CB 3.98Å; L63-L350 HydrophobicContact CD2-CD1 4.46Å; L63-L350 HydrophobicContact CG-CB 4.09Å; I233-L350 HydrophobicContact CG2-CD1 3.88Å; I233-L350 HydrophobicContact CG2-CD2 4.35Å; I233-L350 HydrophobicContact CG2-CG 3.87Å; L350-A352 HydrophobicContact CD2-CB 4.05Å; L350-V371 HydrophobicContact CD1-CG1 4.2Å; L350-V371 HydrophobicContact CD1-CG2 3.72Å
351	A	98.7	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.3	169.8	0	0	0	0	0	109.2	L50 L53 V58 L59 V234 F349	L50-A351 HydrophobicContact CD1-CB 3.84Å; L53-A351 HydrophobicContact CD2-CB 3.88Å; V58-A351 WeakPolarHBondContact O-CA 3.41Å; L59-A351 HydrophobicContact CD1-CB 4.31Å; V234-A351 PolarHBondContact N-O 2.82Å; V234-A351 PolarHBondContact O-N 3.38Å; V234-A351 VanDerWaalsContact O-O 3.13Å; F349-A351 HydrophobicContact CD2-CB 4.17Å; F349-A351 HydrophobicContact CE2-CB 3.85Å
352	A	98.5	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.3	178.7	0	0	0	0	0	112.4	G57 V58 L232 I233 L350 F357	G57-A352 CarbonylContact C-O 3.5Å; G57-A352 VanDerWaalsContact CA-O 3.29Å; G57-A352 WeakPolarHBondContact CA-O 3.42Å; V58-A352 HydrophobicContact CG2-CB 3.73Å; V58-A352 PolarHBondContact N-O 2.87Å; V58-A352 PolarHBondContact O-N 3.3Å; L232-A352 CarbonylContact O-C 3.35Å; L232-A352 WeakPolarHBondContact O-CA 3.31Å; L232-A352 VanDerWaalsContact O-CB 3.31Å; L232-A352 WeakPolarHBondContact O-CB 3.16Å; I233-A352 HydrophobicContact CB-CB 4.49Å; I233-A352 HydrophobicContact CG1-CB 3.99Å; L350-A352 HydrophobicContact CD2-CB 4.05Å; A352-F357 HydrophobicContact CB-CD1 4.02Å; A352-F357 HydrophobicContact CB-CD2 3.96Å; A352-F357 HydrophobicContact CB-CE1 3.77Å; A352-F357 HydrophobicContact CB-CE2 3.68Å; A352-F357 HydrophobicContact CB-CG 4.11Å; A352-F357 HydrophobicContact CB-CZ 3.58Å
353	T	98	Very high	96.6	Very high	15 Å²	15	36.3 Å²	36.3	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.4	177.8	-173.1	0	0	0	0	110.2	L53 Q56 W227 L232	L53-T353 HydrophobicContact CD2-CG2 4.19Å; L53-T353 HydrophobicContact CG-CG2 4.14Å; Q56-T353 PolarHBondContact O-OG1 2.86Å; W227-T353 HydrophobicContact CH2-CG2 4.11Å; L232-T353 HydrophobicContact CB-CG2 4.23Å; L232-T353 HydrophobicContact CD2-CG2 4.3Å; L232-T353 PolarHBondContact N-O 2.85Å; L232-T353 PolarHBondContact O-N 3.17Å
354	G	96.7	Very high	96.5	Very high	15 Å²	15	43 Å²	43	16%	0.155	23%	0.233	C	C	.	.	S	Bend	trans	129.1	172.9	-178	0	0	0	0	0	112.3	I230 G356 F357	I230-G354 WeakPolarHBondContact O-CA 3.48Å; G354-G356 PolarHBondContact O-N 2.71Å; G354-G356 VanDerWaalsContact O-N 3.14Å; G354-F357 PolarHBondContact O-N 2.95Å
355	P	96	Very high	96.5	Very high	66 Å²	66	42.9 Å²	42.9	43%	0.429	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.7	-172	-25.2	37.6	0	0	0	114.8	L27 G228 I230 F357	L27-P355 HydrophobicContact CD1-CB 3.58Å; L27-P355 HydrophobicContact CD1-CG 3.41Å; L27-P355 VanDerWaalsContact CD1-CG 3.41Å; G228-P355 WeakPolarHBondContact O-CG 3.39Å; I230-P355 WeakPolarHBondContact O-CD 3.48Å; P355-F357 VanDerWaalsContact C-N 3.32Å
356	G	95.8	Very high	96.4	Very high	13 Å²	13	43.1 Å²	43.1	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.5	176	0	0	0	0	0	114.4	N231 G354 L397 A398	N231-G356 WeakPolarHBondContact OD1-CA 3.21Å; N231-G356 PolarHBondContact OD1-N 3.29Å; G354-G356 PolarHBondContact O-N 2.71Å; G354-G356 VanDerWaalsContact O-N 3.14Å; G356-L397 CarbonylContact O-C 3.57Å; G356-L397 VanDerWaalsContact O-CA 3.28Å; G356-L397 WeakPolarHBondContact O-CA 3.25Å; G356-A398 PolarHBondContact O-N 3.21Å
357	F	96.6	Very high	96.4	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.022	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-112.1	147.1	-174.3	-67.7	-73.1	0	0	0	112.9	V58 N231 I233 A352 G354 P355 L374 L378 L396	V58-F357 HydrophobicContact CG1-CB 4.34Å; V58-F357 HydrophobicContact CG2-CD1 4.07Å; N231-F357 HydrophobicContact CB-CD2 4.46Å; N231-F357 HydrophobicContact CB-CE2 3.96Å; I233-F357 HydrophobicContact CD1-CZ 3.97Å; I233-F357 HydrophobicContact CG1-CE2 4.13Å; I233-F357 HydrophobicContact CG1-CZ 3.69Å; A352-F357 HydrophobicContact CB-CD1 4.02Å; A352-F357 HydrophobicContact CB-CD2 3.96Å; A352-F357 HydrophobicContact CB-CE1 3.77Å; A352-F357 HydrophobicContact CB-CE2 3.68Å; A352-F357 HydrophobicContact CB-CG 4.11Å; A352-F357 HydrophobicContact CB-CZ 3.58Å; G354-F357 PolarHBondContact O-N 2.95Å; P355-F357 VanDerWaalsContact C-N 3.32Å; F357-L374 HydrophobicContact CE1-CD2 4.29Å; F357-L378 HydrophobicContact CE1-CD1 3.97Å; F357-L378 HydrophobicContact CE2-CD1 3.95Å; F357-L378 HydrophobicContact CZ-CD1 3.36Å; F357-L378 HydrophobicContact CZ-CD2 4.45Å; F357-L396 CarbonylContact C-O 3.51Å; F357-L396 VanDerWaalsContact CA-O 3.29Å; F357-L396 WeakPolarHBondContact CA-O 3.47Å; F357-L396 HydrophobicContact CD1-CB 4.26Å; F357-L396 WeakPolarHBondContact CD1-O 3.36Å; F357-L396 HydrophobicContact CE1-CB 4.49Å
358	H	93.3	Very high	96.4	Very high	61 Å²	61	45.7 Å²	45.7	28%	0.282	25%	0.248	S	C	.	.			trans	-60	159.1	167.6	-85.2	-70.6	0	0	0	111.4	G57 V58 L361 C395 L396 L397 E400	G57-H358 CarbonylContact C-O 3.6Å; G57-H358 WeakPolarHBondContact CA-O 3.46Å; V58-H358 HydrophobicContact CG1-CB 4.05Å; V58-H358 WeakPolarHBondContact CG1-O 3.41Å; H358-L361 HydrophobicContact CB-CB 4.1Å; H358-L361 HydrophobicContact CB-CD2 4.32Å; H358-C395 PolarHBondContact CD2-O 2.89Å; H358-L396 PolarHBondContact N-O 3.07Å; H358-L397 PolarHBondContact CD2-O 3.27Å; H358-L397 PolarHBondContact NE2-O 2.73Å; H358-E400 PolarHBondContact NE2-O 3.15Å; H358-E400 VanDerWaalsContact NE2-O 3.14Å
359	Q	92.2	Very high	96.4	Very high	162 Å²	162	45.7 Å²	45.7	76%	0.757	25%	0.247	S	C	*	.	S	Bend	trans	-110.2	134.2	176.1	-65.2	-174	-6.9	0	0	110.8	G57 L361	G57-Q359 CarbonylContact O-C 3.47Å; Q359-L361 VanDerWaalsContact C-N 3.25Å; Q359-L361 PolarHBondContact O-N 3.23Å
360	G	90.8	Very high	96.4	Very high	64 Å²	64	45.7 Å²	45.7	66%	0.66	25%	0.247	S	C	*	.	S	Bend	trans	72.2	13.4	178.8	0	0	0	0	0	114.6	G57	G57-G360 PolarHBondContact O-N 3.45Å
361	L	94.1	Very high	96.4	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.277	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.3	178.2	-178.7	70.3	0	0	0	110.7	G57 V58 L59 H358 Q359 L363 C395 L396	G57-L361 PolarHBondContact O-N 3.38Å; V58-L361 CarbonylContact C-O 3.6Å; V58-L361 VanDerWaalsContact CA-O 3.23Å; V58-L361 WeakPolarHBondContact CA-O 2.98Å; V58-L361 HydrophobicContact CB-CB 4.48Å; V58-L361 HydrophobicContact CG1-CB 3.89Å; V58-L361 HydrophobicContact CG1-CD2 4.38Å; L59-L361 PolarHBondContact N-O 3.49Å; H358-L361 HydrophobicContact CB-CB 4.1Å; H358-L361 HydrophobicContact CB-CD2 4.32Å; Q359-L361 VanDerWaalsContact C-N 3.25Å; Q359-L361 PolarHBondContact O-N 3.23Å; L361-L363 HydrophobicContact CD2-CD2 4.48Å; L361-L363 HydrophobicContact CD2-CG 4.5Å; L361-L363 HydrophobicContact CG-CD2 4.49Å; L361-C395 HydrophobicContact CD2-CB 4.37Å; L361-C395 WeakPolarHBondContact CD2-O 3.23Å; L361-L396 HydrophobicContact CD2-CD2 4.19Å
362	R	95.6	Very high	96.4	Very high	141 Å²	141	45.7 Å²	45.7	53%	0.532	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.8	173.5	-170.2	172	-179.8	164.7	5.9	110.2	L59 D61	L59-R362 HydrophobicContact CB-CG 4.39Å; L59-R362 HydrophobicContact CD2-CG 4.46Å; L59-R362 CarbonylContact O-C 3.24Å; L59-R362 VanDerWaalsContact O-CA 3.28Å; L59-R362 WeakPolarHBondContact O-CA 3.49Å; D61-R362 IonicContact OD1-CZ 2.72Å; D61-R362 IonicContact OD1-NE 3.68Å; D61-R362 PolarHBondContact OD1-NE 2.59Å; D61-R362 IonicContact OD1-NH2 3.94Å; D61-R362 PolarHBondContact OD1-NH2 3.28Å; D61-R362 IonicContact OD2-CZ 2.67Å; D61-R362 IonicContact OD2-NE 3.1Å; D61-R362 PolarHBondContact OD2-NE 3.22Å; D61-R362 IonicContact OD2-NH2 3.46Å
363	L	95.5	Very high	96.4	Very high	39 Å²	39	46.2 Å²	46.2	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.9	172.1	-62.8	-173.6	0	0	0	109.8	L59 V60 D61 L361 L396	L59-L363 PolarHBondContact O-N 3.28Å; V60-L363 CarbonylContact C-O 3.21Å; V60-L363 WeakPolarHBondContact CA-O 3.32Å; V60-L363 HydrophobicContact CG1-CB 4.45Å; V60-L363 HydrophobicContact CG2-CB 4.32Å; D61-L363 PolarHBondContact N-O 3.29Å; L361-L363 HydrophobicContact CD2-CD2 4.48Å; L361-L363 HydrophobicContact CD2-CG 4.5Å; L361-L363 HydrophobicContact CG-CD2 4.49Å; L363-L396 HydrophobicContact CD1-CD2 3.48Å; L363-L396 VanDerWaalsContact CD1-CD2 3.48Å; L363-L396 HydrophobicContact CD1-CG 3.96Å; L363-L396 HydrophobicContact CG-CD2 3.97Å
364	K	96.3	Very high	96.4	Very high	176 Å²	176	45.5 Å²	45.5	77%	0.765	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	-44.3	178.7	-68.7	-171.9	176.7	-175.3	0	112.3	D61 Q62	D61-K364 WeakPolarHBondContact CB-O 3.28Å; Q62-K364 PolarHBondContact N-O 2.85Å
365	S	96.7	Very high	96.5	Very high	75 Å²	75	44.8 Å²	44.8	52%	0.524	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.2	-177.4	60.5	0	0	0	0	113.7	Q62	Q62-S365 WeakPolarHBondContact O-CA 3.1Å
366	L	97.5	Very high	96.6	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.4	172.6	-172.1	68.9	0	0	0	109.2	V60 Q62 L63 T64 D370 R392 A393 L396	V60-L366 HydrophobicContact CG1-CB 3.85Å; Q62-L366 PolarHBondContact O-N 3.47Å; L63-L366 CarbonylContact C-O 3.58Å; L63-L366 VanDerWaalsContact CA-O 3.26Å; L63-L366 WeakPolarHBondContact CA-O 3.2Å; L63-L366 HydrophobicContact CD2-CB 3.78Å; L63-L366 HydrophobicContact CD2-CD2 4.33Å; L63-L366 HydrophobicContact CD2-CG 4.44Å; T64-L366 PolarHBondContact N-O 3.42Å; L366-D370 HydrophobicContact CD1-CB 3.85Å; L366-D370 WeakPolarHBondContact CD1-OD2 3.32Å; L366-D370 HydrophobicContact CD2-CB 4.14Å; L366-D370 HydrophobicContact CG-CB 3.89Å; L366-R392 HydrophobicContact CD1-CB 3.8Å; L366-A393 HydrophobicContact CD1-CB 4.13Å; L366-A393 HydrophobicContact CD2-CB 4.13Å; L366-L396 HydrophobicContact CD2-CD1 4.23Å
367	E	98.2	Very high	96.7	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.299	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.9	170.3	-55.5	-62.6	143.3	0	0	109.8	T64 V369 D370	T64-E367 WeakPolarHBondContact CB-OE2 3.28Å; T64-E367 WeakPolarHBondContact CG2-OE2 3.41Å; E367-V369 HydrophobicContact CB-CG2 3.91Å; E367-V369 PolarHBondContact O-N 3.32Å; E367-D370 WeakPolarHBondContact CB-OD2 3.42Å; E367-D370 PolarHBondContact N-OD2 2.88Å; E367-D370 VanDerWaalsContact O-CB 3.27Å; E367-D370 WeakPolarHBondContact O-CB 3.26Å; E367-D370 PolarHBondContact O-N 3.48Å
368	S	98.3	Very high	96.7	Very high	4 Å²	4	48 Å²	48	3%	0.028	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.7	-179.2	68.4	0	0	0	0	112.7	T64 N65 D370 V371	T64-S368 PolarHBondContact O-N 3.25Å; N65-S368 WeakPolarHBondContact CA-OG 3.14Å; S368-D370 PolarHBondContact O-N 3.45Å; S368-V371 WeakPolarHBondContact O-CB 3.46Å; S368-V371 VanDerWaalsContact O-CG2 3.31Å; S368-V371 WeakPolarHBondContact O-CG2 3.45Å; S368-V371 PolarHBondContact O-N 2.93Å
369	V	98.6	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20.6	175.2	-66.7	0	0	0	0	113.2	V66 G81 Y83 E367 V371 P373 G388	V66-V369 HydrophobicContact CG1-CG1 3.78Å; G81-V369 WeakPolarHBondContact CA-O 3.46Å; Y83-V369 HydrophobicContact CD1-CG1 4.09Å; Y83-V369 HydrophobicContact CE1-CG1 4.06Å; Y83-V369 HydrophobicContact CE1-CG2 4.41Å; E367-V369 HydrophobicContact CB-CG2 3.91Å; E367-V369 PolarHBondContact O-N 3.32Å; V369-V371 PolarHBondContact O-N 2.76Å; V369-P373 VanDerWaalsContact O-CD 3.26Å; V369-P373 WeakPolarHBondContact O-CD 3.37Å; V369-G388 WeakPolarHBondContact O-CA 3.16Å
370	D	98.6	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-74.9	-16	177	-59.5	-23.5	0	0	0	112.7	L366 E367 S368 Y372 P373 L374 G388 S389 R392 A393	L366-D370 HydrophobicContact CD1-CB 3.85Å; L366-D370 WeakPolarHBondContact CD1-OD2 3.32Å; L366-D370 HydrophobicContact CD2-CB 4.14Å; L366-D370 HydrophobicContact CG-CB 3.89Å; E367-D370 WeakPolarHBondContact CB-OD2 3.42Å; E367-D370 PolarHBondContact N-OD2 2.88Å; E367-D370 VanDerWaalsContact O-CB 3.27Å; E367-D370 WeakPolarHBondContact O-CB 3.26Å; E367-D370 PolarHBondContact O-N 3.48Å; S368-D370 PolarHBondContact O-N 3.45Å; D370-Y372 VanDerWaalsContact C-N 3.34Å; D370-P373 VanDerWaalsContact O-CD 3.27Å; D370-P373 WeakPolarHBondContact O-CD 3.49Å; D370-P373 WeakPolarHBondContact O-CG 3.42Å; D370-L374 WeakPolarHBondContact O-CB 3.17Å; D370-L374 PolarHBondContact O-N 3.37Å; D370-G388 VanDerWaalsContact OD1-CA 3.32Å; D370-G388 WeakPolarHBondContact OD1-CA 3.35Å; D370-S389 PolarHBondContact OD1-N 2.83Å; D370-R392 IonicContact OD1-CZ 2.72Å; D370-R392 IonicContact OD1-NE 3.42Å; D370-R392 PolarHBondContact OD1-NE 3.29Å; D370-R392 IonicContact OD1-NH2 3.5Å; D370-R392 PolarHBondContact OD1-NH2 2.85Å; D370-R392 IonicContact OD2-CZ 3.58Å; D370-R392 IonicContact OD2-NE 3.46Å; D370-R392 PolarHBondContact OD2-NE 2.92Å; D370-R392 IonicContact OD2-NH2 3.72Å; D370-R392 PolarHBondContact OD2-NH2 2.84Å; D370-A393 HydrophobicContact CB-CB 4.44Å
371	V	98.8	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-37.5	179.4	-176.8	0	0	0	0	110.6	L63 L78 L350 S368 V369 L374 M375	L63-V371 HydrophobicContact CD1-CG2 4.34Å; L78-V371 HydrophobicContact CD2-CB 4.08Å; L78-V371 HydrophobicContact CD2-CG1 4.32Å; L78-V371 HydrophobicContact CD2-CG2 4.03Å; L350-V371 HydrophobicContact CD1-CG1 4.2Å; L350-V371 HydrophobicContact CD1-CG2 3.72Å; S368-V371 WeakPolarHBondContact O-CB 3.46Å; S368-V371 VanDerWaalsContact O-CG2 3.31Å; S368-V371 WeakPolarHBondContact O-CG2 3.45Å; S368-V371 PolarHBondContact O-N 2.93Å; V369-V371 PolarHBondContact O-N 2.76Å; V371-L374 WeakPolarHBondContact O-CB 3.45Å; V371-L374 PolarHBondContact O-N 3.2Å; V371-M375 HydrophobicContact CG1-CE 4.11Å; V371-M375 HydrophobicContact CG1-CG 4.21Å; V371-M375 HydrophobicContact CG1-SD 4.27Å; V371-M375 VanDerWaalsContact O-CG 3.26Å; V371-M375 WeakPolarHBondContact O-CG 3.33Å; V371-M375 PolarHBondContact O-N 2.85Å
372	Y	98.9	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-56.2	178.1	173.7	-101.4	0	0	0	114.1	V79 T80 L120 D370 L374 M375 C376 A383 Q384 N386	V79-Y372 VanDerWaalsContact C-CD2 3.41Å; V79-Y372 WeakPolarHBondContact O-CD2 3.2Å; V79-Y372 VanDerWaalsContact O-CE2 3.26Å; V79-Y372 WeakPolarHBondContact O-CE2 3.29Å; T80-Y372 WeakPolarHBondContact O-CD1 3.3Å; L120-Y372 HydrophobicContact CB-CD2 4.2Å; L120-Y372 HydrophobicContact CB-CE2 3.9Å; L120-Y372 HydrophobicContact CD1-CE2 4.15Å; D370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-L374 PolarHBondContact O-N 3.48Å; Y372-M375 PolarHBondContact O-N 3.14Å; Y372-M375 VanDerWaalsContact O-N 3.09Å; Y372-C376 VanDerWaalsContact CZ-SG 3.55Å; Y372-C376 PolarHBondContact O-N 3.02Å; Y372-C376 PolarHBondContact O-SG 3.01Å; Y372-C376 VanDerWaalsContact O-SG 3.41Å; Y372-A383 HydrophobicContact CE1-CB 4.07Å; Y372-Q384 WeakPolarHBondContact OH-CB 3.46Å; Y372-Q384 WeakPolarHBondContact OH-CG 3.47Å; Y372-Q384 PolarHBondContact OH-N 3.11Å; Y372-Q384 VanDerWaalsContact OH-N 3.11Å; Y372-N386 HydrophobicContact CD1-CB 3.94Å; Y372-N386 HydrophobicContact CE1-CB 4.12Å
373	P	98.6	Very high	97.8	Very high	11 Å²	11	36 Å²	36	7%	0.071	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-29.1	179.2	26	-34.9	0	0	0	112.6	V369 D370 C376 R377 L390	V369-P373 VanDerWaalsContact O-CD 3.26Å; V369-P373 WeakPolarHBondContact O-CD 3.37Å; D370-P373 VanDerWaalsContact O-CD 3.27Å; D370-P373 WeakPolarHBondContact O-CD 3.49Å; D370-P373 WeakPolarHBondContact O-CG 3.42Å; P373-C376 PolarHBondContact O-N 2.99Å; P373-R377 WeakPolarHBondContact O-CB 3.46Å; P373-R377 PolarHBondContact O-N 3.43Å; P373-L390 HydrophobicContact CB-CB 4.26Å
374	L	98.3	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-48.6	169.6	172.8	69.1	0	0	0	111.4	F357 D370 V371 Y372 R377 L378 A393 L396 L397	F357-L374 HydrophobicContact CE1-CD2 4.29Å; D370-L374 WeakPolarHBondContact O-CB 3.17Å; D370-L374 PolarHBondContact O-N 3.37Å; V371-L374 WeakPolarHBondContact O-CB 3.45Å; V371-L374 PolarHBondContact O-N 3.2Å; Y372-L374 PolarHBondContact O-N 3.48Å; L374-R377 WeakPolarHBondContact O-CB 3.46Å; L374-R377 PolarHBondContact O-N 3.28Å; L374-L378 HydrophobicContact CG-CD1 4.31Å; L374-L378 WeakPolarHBondContact O-CG 3.35Å; L374-L378 PolarHBondContact O-N 2.75Å; L374-A393 HydrophobicContact CB-CB 4.04Å; L374-A393 HydrophobicContact CD1-CB 4.25Å; L374-A393 HydrophobicContact CD2-CB 4.33Å; L374-A393 HydrophobicContact CG-CB 4.44Å; L374-L396 HydrophobicContact CD2-CD1 3.85Å; L374-L397 HydrophobicContact CD1-CD1 4.13Å; L374-L397 HydrophobicContact CD1-CD2 3.56Å; L374-L397 HydrophobicContact CD1-CG 3.72Å
375	M	98.7	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-39.2	177.4	-67.7	-167.5	-67.1	0	0	112.4	L29 L31 L78 L120 F180 I233 V371 Y372 R377 L378 L379	L29-M375 HydrophobicContact CD2-CB 3.58Å; L29-M375 HydrophobicContact CD2-CG 3.62Å; L29-M375 HydrophobicContact CD2-SD 4.01Å; L31-M375 HydrophobicContact CB-SD 4.3Å; L31-M375 HydrophobicContact CD1-SD 4.33Å; L31-M375 HydrophobicContact CD2-CE 4.06Å; L31-M375 HydrophobicContact CD2-SD 3.83Å; L31-M375 HydrophobicContact CG-SD 4.39Å; L78-M375 WeakPolarHBondContact O-CE 3.26Å; L120-M375 HydrophobicContact CD2-CB 3.5Å; L120-M375 VanDerWaalsContact CD2-CB 3.5Å; L120-M375 HydrophobicContact CD2-CE 3.78Å; L120-M375 HydrophobicContact CD2-CG 4.38Å; L120-M375 HydrophobicContact CD2-SD 4.03Å; F180-M375 HydrophobicContact CE2-SD 4.06Å; F180-M375 HydrophobicContact CZ-SD 4.47Å; I233-M375 HydrophobicContact CD1-CG 3.77Å; I233-M375 HydrophobicContact CD1-SD 4.24Å; V371-M375 HydrophobicContact CG1-CE 4.11Å; V371-M375 HydrophobicContact CG1-CG 4.21Å; V371-M375 HydrophobicContact CG1-SD 4.27Å; V371-M375 VanDerWaalsContact O-CG 3.26Å; V371-M375 WeakPolarHBondContact O-CG 3.33Å; V371-M375 PolarHBondContact O-N 2.85Å; Y372-M375 PolarHBondContact O-N 3.14Å; Y372-M375 VanDerWaalsContact O-N 3.09Å; M375-R377 VanDerWaalsContact C-N 3.31Å; M375-R377 PolarHBondContact O-N 2.9Å; M375-L378 PolarHBondContact O-N 3.05Å; M375-L379 WeakPolarHBondContact O-CB 3.32Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 2.75Å
376	C	98.5	Very high	98.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-41.9	173.4	-68.1	0	0	0	0	111.9	Y372 P373 L379 S380 V381 A383	Y372-C376 VanDerWaalsContact CZ-SG 3.55Å; Y372-C376 PolarHBondContact O-N 3.02Å; Y372-C376 PolarHBondContact O-SG 3.01Å; Y372-C376 VanDerWaalsContact O-SG 3.41Å; P373-C376 PolarHBondContact O-N 2.99Å; C376-L379 CarbonylContact O-C 3.6Å; C376-L379 PolarHBondContact O-N 3.34Å; C376-S380 PolarHBondContact O-N 3.23Å; C376-V381 HydrophobicContact CB-CG2 4.05Å; C376-V381 PolarHBondContact O-N 3.19Å; C376-V381 VanDerWaalsContact O-N 3.08Å; C376-A383 HydrophobicContact CB-CB 3.89Å
377	R	97.3	Very high	98.1	Very high	134 Å²	134	35.4 Å²	35.4	51%	0.506	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-42.8	176.4	178	58.8	166.3	-165.9	-1.7	112.1	P373 L374 M375 L379 S380 L390 L397 E400	P373-R377 WeakPolarHBondContact O-CB 3.46Å; P373-R377 PolarHBondContact O-N 3.43Å; L374-R377 WeakPolarHBondContact O-CB 3.46Å; L374-R377 PolarHBondContact O-N 3.28Å; M375-R377 VanDerWaalsContact C-N 3.31Å; M375-R377 PolarHBondContact O-N 2.9Å; R377-L379 VanDerWaalsContact C-N 3.27Å; R377-L379 PolarHBondContact O-N 2.88Å; R377-S380 PolarHBondContact O-N 3.41Å; R377-L390 HydrophobicContact CB-CD1 4.12Å; R377-L390 HydrophobicContact CB-CD2 4.12Å; R377-L390 HydrophobicContact CG-CD1 4.45Å; R377-L390 HydrophobicContact CG-CD2 4.2Å; R377-L397 HydrophobicContact CB-CD1 4.35Å; R377-L397 HydrophobicContact CG-CD1 3.51Å; R377-E400 IonicContact CZ-OE1 3.34Å; R377-E400 IonicContact NE-OE1 2.62Å; R377-E400 IonicContact NH2-OE1 2.93Å; R377-E400 PolarHBondContact NH2-OE1 3.16Å
378	L	97.3	Very high	98.1	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-33.4	176.7	-73	164.9	0	0	0	113	L29 F357 L374 M375 L397	L29-L378 HydrophobicContact CD1-CD1 4.22Å; F357-L378 HydrophobicContact CE1-CD1 3.97Å; F357-L378 HydrophobicContact CE2-CD1 3.95Å; F357-L378 HydrophobicContact CZ-CD1 3.36Å; F357-L378 HydrophobicContact CZ-CD2 4.45Å; L374-L378 HydrophobicContact CG-CD1 4.31Å; L374-L378 WeakPolarHBondContact O-CG 3.35Å; L374-L378 PolarHBondContact O-N 2.75Å; M375-L378 PolarHBondContact O-N 3.05Å; L378-L397 HydrophobicContact CD1-CD2 4.48Å; L378-L397 HydrophobicContact CD2-CD2 3.44Å; L378-L397 VanDerWaalsContact CD2-CD2 3.44Å; L378-L397 HydrophobicContact CG-CD2 3.79Å
379	L	97.8	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.1	179.6	-70.8	171.4	0	0	0	113.4	T26 L29 L120 Y129 M179 F180 M375 C376 R377 V381	T26-L379 VanDerWaalsContact CG2-O 3.31Å; T26-L379 WeakPolarHBondContact CG2-O 3.16Å; L29-L379 HydrophobicContact CB-CD2 3.79Å; L29-L379 HydrophobicContact CB-CG 4.13Å; L29-L379 HydrophobicContact CD2-CD1 4.07Å; L29-L379 HydrophobicContact CD2-CG 4.08Å; L120-L379 HydrophobicContact CD1-CD1 4.18Å; L120-L379 HydrophobicContact CD2-CD1 4.01Å; L120-L379 HydrophobicContact CG-CD1 4.23Å; Y129-L379 WeakPolarHBondContact CE2-O 3.37Å; Y129-L379 PolarHBondContact OH-O 2.96Å; M179-L379 HydrophobicContact CB-CD2 4.45Å; M179-L379 WeakPolarHBondContact O-CD2 3.34Å; F180-L379 HydrophobicContact CB-CD1 3.84Å; F180-L379 HydrophobicContact CB-CD2 4.4Å; F180-L379 HydrophobicContact CD2-CD1 3.95Å; F180-L379 HydrophobicContact CG-CD1 4.02Å; M375-L379 WeakPolarHBondContact O-CB 3.32Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 2.75Å; C376-L379 CarbonylContact O-C 3.6Å; C376-L379 PolarHBondContact O-N 3.34Å; R377-L379 VanDerWaalsContact C-N 3.27Å; R377-L379 PolarHBondContact O-N 2.88Å; L379-V381 HydrophobicContact CB-CG1 4.09Å; L379-V381 HydrophobicContact CB-CG2 3.99Å; L379-V381 PolarHBondContact O-N 3.04Å
380	S	96.8	Very high	97.8	Very high	82 Å²	82	37.3 Å²	37.3	57%	0.573	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.4	-173.5	-56.8	0	0	0	0	113.4	T26 C376 R377	T26-S380 PolarHBondContact OG1-OG 2.93Å; C376-S380 PolarHBondContact O-N 3.23Å; R377-S380 PolarHBondContact O-N 3.41Å
381	V	97.8	Very high	97.6	Very high	10 Å²	10	41.8 Å²	41.8	6%	0.061	25%	0.246	C	C	.	.			trans	-106.8	148.7	176.8	-60.1	0	0	0	0	110.9	L120 T123 Y129 C376 L379 A383	L120-V381 HydrophobicContact CD1-CG2 4.02Å; T123-V381 HydrophobicContact CG2-CG2 4.36Å; Y129-V381 HydrophobicContact CD2-CG1 3.87Å; Y129-V381 HydrophobicContact CE2-CG1 3.55Å; C376-V381 HydrophobicContact CB-CG2 4.05Å; C376-V381 PolarHBondContact O-N 3.19Å; C376-V381 VanDerWaalsContact O-N 3.08Å; L379-V381 HydrophobicContact CB-CG1 4.09Å; L379-V381 HydrophobicContact CB-CG2 3.99Å; L379-V381 PolarHBondContact O-N 3.04Å; V381-A383 PolarHBondContact O-N 3.16Å
382	P	97.2	Very high	97.4	Very high	89 Å²	89	47.4 Å²	47.4	58%	0.578	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-66.7	119.6	177.1	27.1	-33.8	0	0	0	110.5	T123 Q384	T123-P382 WeakPolarHBondContact CG2-O 3.18Å; P382-Q384 PolarHBondContact O-N 3.03Å
383	A	97.8	Very high	97.1	Very high	46 Å²	46	47.4 Å²	47.4	38%	0.38	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-63.3	133.7	172.3	0	0	0	0	0	110	Y372 C376 V381	Y372-A383 HydrophobicContact CE1-CB 4.07Å; C376-A383 HydrophobicContact CB-CB 3.89Å; V381-A383 PolarHBondContact O-N 3.16Å
384	Q	98.2	Very high	96.8	Very high	67 Å²	67	51 Å²	51	31%	0.313	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-68.1	158.5	168.1	-62.1	-62.7	-54.8	0	0	109.8	K118 T123 Y372 P382 N386	K118-Q384 HydrophobicContact CB-CG 4.33Å; K118-Q384 HydrophobicContact CD-CG 4.45Å; T123-Q384 HydrophobicContact CG2-CG 4.37Å; Y372-Q384 WeakPolarHBondContact OH-CB 3.46Å; Y372-Q384 WeakPolarHBondContact OH-CG 3.47Å; Y372-Q384 PolarHBondContact OH-N 3.11Å; Y372-Q384 VanDerWaalsContact OH-N 3.11Å; P382-Q384 PolarHBondContact O-N 3.03Å; Q384-N386 PolarHBondContact O-N 3.46Å; Q384-N386 VanDerWaalsContact O-N 3.15Å; Q384-N386 PolarHBondContact O-ND2 2.93Å
385	P	98.3	Very high	96.5	Very high	117 Å²	117	52.6 Å²	52.6	76%	0.76	29%	0.29	S	S	*	.	S	Bend	trans	-51.4	123.7	171.6	-26.2	35.2	0	0	0	110.6
386	N	98.6	Very high	96.3	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.214	29%	0.29	C	S	.	.			trans	-146.4	170.6	-172.9	70.5	88	0	0	0	110.9	T80 L82 Y372 Q384 G388	T80-N386 WeakPolarHBondContact O-CB 3.5Å; L82-N386 HydrophobicContact CD2-CB 4.45Å; Y372-N386 HydrophobicContact CD1-CB 3.94Å; Y372-N386 HydrophobicContact CE1-CB 4.12Å; Q384-N386 PolarHBondContact O-N 3.46Å; Q384-N386 VanDerWaalsContact O-N 3.15Å; Q384-N386 PolarHBondContact O-ND2 2.93Å; N386-G388 WeakPolarHBondContact OD1-CA 3.03Å; N386-G388 PolarHBondContact OD1-N 2.93Å; N386-G388 PolarHBondContact OD1-O 3.04Å
387	N	98.5	Very high	96.1	Very high	61 Å²	61	52.9 Å²	52.9	33%	0.326	29%	0.292	S	S	.	.	S	Bend	trans	-92	-8.9	-179.8	-56.6	122.1	0	0	0	113.4	G81 L82 Y83	G81-N387 WeakPolarHBondContact O-CA 3.29Å; G81-N387 WeakPolarHBondContact O-CB 3.08Å; G81-N387 PolarHBondContact O-N 3.12Å; L82-N387 VanDerWaalsContact CA-OD1 3.31Å; L82-N387 WeakPolarHBondContact CA-OD1 3.07Å; L82-N387 WeakPolarHBondContact CD2-OD1 3.47Å; Y83-N387 HydrophobicContact CD2-CB 3.71Å; Y83-N387 VanDerWaalsContact CD2-CG 3.48Å; Y83-N387 WeakPolarHBondContact CD2-OD1 3.48Å; Y83-N387 HydrophobicContact CE2-CB 3.64Å; Y83-N387 PolarHBondContact N-OD1 2.92Å
388	G	97.6	Very high	95.8	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	29%	0.286	C	S	.	.			trans	-73.9	160.2	179.1	0	0	0	0	0	114	G81 V369 D370 N386	G81-G388 PolarHBondContact O-N 3.13Å; V369-G388 WeakPolarHBondContact O-CA 3.16Å; D370-G388 VanDerWaalsContact OD1-CA 3.32Å; D370-G388 WeakPolarHBondContact OD1-CA 3.35Å; N386-G388 WeakPolarHBondContact OD1-CA 3.03Å; N386-G388 PolarHBondContact OD1-N 2.93Å; N386-G388 PolarHBondContact OD1-O 3.04Å
389	S	96.4	Very high	95	Very high	34 Å²	34	50.9 Å²	50.9	24%	0.238	31%	0.312	C	S	.	.			trans	-124.3	108.3	176.2	-171.9	0	0	0	0	110.8	D370 T391 R392	D370-S389 PolarHBondContact OD1-N 2.83Å; S389-T391 PolarHBondContact O-N 2.86Å; S389-T391 VanDerWaalsContact O-N 3.17Å; S389-R392 PolarHBondContact O-N 3.44Å; S389-R392 VanDerWaalsContact O-N 3.13Å
390	L	94.9	Very high	94.2	Very high	56 Å²	56	53.2 Å²	53.2	29%	0.293	32%	0.323	S	S	.	.	H	α-helix	trans	-57	-31.8	173.1	-177.2	58.6	0	0	0	111.7	P373 R377 R392 A393 R394 L397	P373-L390 HydrophobicContact CB-CB 4.26Å; R377-L390 HydrophobicContact CB-CD1 4.12Å; R377-L390 HydrophobicContact CB-CD2 4.12Å; R377-L390 HydrophobicContact CG-CD1 4.45Å; R377-L390 HydrophobicContact CG-CD2 4.2Å; L390-R392 PolarHBondContact O-N 3.32Å; L390-A393 CarbonylContact O-C 3.46Å; L390-A393 PolarHBondContact O-N 3.13Å; L390-R394 WeakPolarHBondContact O-CB 3.44Å; L390-R394 PolarHBondContact O-N 3.46Å; L390-L397 HydrophobicContact CD1-CD1 4.4Å
391	T	93.8	Very high	93	Very high	93 Å²	93	54.2 Å²	54.2	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-32	180	-53.5	0	0	0	0	113	S389 R394	S389-T391 PolarHBondContact O-N 2.86Å; S389-T391 VanDerWaalsContact O-N 3.17Å; T391-R394 WeakPolarHBondContact O-CG 3Å
392	R	94.3	Very high	91.7	Very high	118 Å²	118	56.4 Å²	56.4	45%	0.445	34%	0.341	S	S	.	.	H	α-helix	trans	-74.6	-35.2	175.7	-68.9	-170.8	-69.6	-104.5	2.5	112.2	L366 D370 S389 L390	L366-R392 HydrophobicContact CD1-CB 3.8Å; D370-R392 IonicContact OD1-CZ 2.72Å; D370-R392 IonicContact OD1-NE 3.42Å; D370-R392 PolarHBondContact OD1-NE 3.29Å; D370-R392 IonicContact OD1-NH2 3.5Å; D370-R392 PolarHBondContact OD1-NH2 2.85Å; D370-R392 IonicContact OD2-CZ 3.58Å; D370-R392 IonicContact OD2-NE 3.46Å; D370-R392 PolarHBondContact OD2-NE 2.92Å; D370-R392 IonicContact OD2-NH2 3.72Å; D370-R392 PolarHBondContact OD2-NH2 2.84Å; S389-R392 PolarHBondContact O-N 3.44Å; S389-R392 VanDerWaalsContact O-N 3.13Å; L390-R392 PolarHBondContact O-N 3.32Å
393	A	93.6	Very high	90.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-90.8	-13.1	-178.6	0	0	0	0	0	114.3	L366 D370 L374 L390 C395 L396	L366-A393 HydrophobicContact CD1-CB 4.13Å; L366-A393 HydrophobicContact CD2-CB 4.13Å; D370-A393 HydrophobicContact CB-CB 4.44Å; L374-A393 HydrophobicContact CB-CB 4.04Å; L374-A393 HydrophobicContact CD1-CB 4.25Å; L374-A393 HydrophobicContact CD2-CB 4.33Å; L374-A393 HydrophobicContact CG-CB 4.44Å; L390-A393 CarbonylContact O-C 3.46Å; L390-A393 PolarHBondContact O-N 3.13Å; A393-C395 PolarHBondContact O-N 3.03Å; A393-C395 VanDerWaalsContact O-N 3.08Å; A393-L396 HydrophobicContact CB-CD1 4.42Å; A393-L396 VanDerWaalsContact O-CB 3.24Å; A393-L396 WeakPolarHBondContact O-CB 3.32Å; A393-L396 WeakPolarHBondContact O-CG 3.37Å; A393-L396 PolarHBondContact O-N 3.47Å
394	R	91.4	Very high	88.4	Confident	88 Å²	88	62.5 Å²	62.5	33%	0.332	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.3	-171.6	74.9	-176.1	177.7	158.5	2.5	113.2	L390 T391 L396 L397 E400	L390-R394 WeakPolarHBondContact O-CB 3.44Å; L390-R394 PolarHBondContact O-N 3.46Å; T391-R394 WeakPolarHBondContact O-CG 3Å; R394-L396 PolarHBondContact O-N 3.18Å; R394-L396 VanDerWaalsContact O-N 3.13Å; R394-L397 WeakPolarHBondContact O-CB 3.16Å; R394-L397 PolarHBondContact O-N 2.88Å; R394-E400 HydrophobicContact CB-CG 4.4Å; R394-E400 WeakPolarHBondContact O-CB 3.28Å
395	C	91.5	Very high	86.9	Confident	32 Å²	32	64.8 Å²	64.8	22%	0.216	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-64.2	-17.6	179.1	-59.9	0	0	0	0	112.9	H358 L361 A393 L397 C402	H358-C395 PolarHBondContact CD2-O 2.89Å; L361-C395 HydrophobicContact CD2-CB 4.37Å; L361-C395 WeakPolarHBondContact CD2-O 3.23Å; A393-C395 PolarHBondContact O-N 3.03Å; A393-C395 VanDerWaalsContact O-N 3.08Å; C395-L397 VanDerWaalsContact C-N 3.26Å; C395-C402 WeakPolarHBondContact CA-SG 3.4Å; C395-C402 HydrophobicContact CB-CB 3.77Å; C395-C402 WeakPolarHBondContact CB-SG 3.07Å; C395-C402 WeakPolarHBondContact SG-CB 3.18Å; C395-C402 CovalentContact SG-SG 2.02Å; C395-C402 PolarHBondContact SG-SG 3.04Å
396	L	94.5	Very high	85.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-72.3	-22.1	174.7	-58.5	176.3	0	0	0	112	V58 V60 F357 H358 L361 L363 L366 L374 A393 R394	V58-L396 HydrophobicContact CB-CD2 3.99Å; V58-L396 HydrophobicContact CG1-CD2 4.33Å; V58-L396 HydrophobicContact CG2-CD2 3.93Å; V60-L396 HydrophobicContact CG2-CD1 4.19Å; V60-L396 HydrophobicContact CG2-CD2 4.15Å; F357-L396 CarbonylContact C-O 3.51Å; F357-L396 VanDerWaalsContact CA-O 3.29Å; F357-L396 WeakPolarHBondContact CA-O 3.47Å; F357-L396 HydrophobicContact CD1-CB 4.26Å; F357-L396 WeakPolarHBondContact CD1-O 3.36Å; F357-L396 HydrophobicContact CE1-CB 4.49Å; H358-L396 PolarHBondContact N-O 3.07Å; L361-L396 HydrophobicContact CD2-CD2 4.19Å; L363-L396 HydrophobicContact CD1-CD2 3.48Å; L363-L396 VanDerWaalsContact CD1-CD2 3.48Å; L363-L396 HydrophobicContact CD1-CG 3.96Å; L363-L396 HydrophobicContact CG-CD2 3.97Å; L366-L396 HydrophobicContact CD2-CD1 4.23Å; L374-L396 HydrophobicContact CD2-CD1 3.85Å; A393-L396 HydrophobicContact CB-CD1 4.42Å; A393-L396 VanDerWaalsContact O-CB 3.24Å; A393-L396 WeakPolarHBondContact O-CB 3.32Å; A393-L396 WeakPolarHBondContact O-CG 3.37Å; A393-L396 PolarHBondContact O-N 3.47Å; R394-L396 PolarHBondContact O-N 3.18Å; R394-L396 VanDerWaalsContact O-N 3.13Å
397	L	94.8	Very high	84	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.052	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-87.7	127.4	-171.8	-63.9	172.3	0	0	0	112.7	G356 H358 L374 R377 L378 L390 R394 C395 G399 E400	G356-L397 CarbonylContact O-C 3.57Å; G356-L397 VanDerWaalsContact O-CA 3.28Å; G356-L397 WeakPolarHBondContact O-CA 3.25Å; H358-L397 PolarHBondContact CD2-O 3.27Å; H358-L397 PolarHBondContact NE2-O 2.73Å; L374-L397 HydrophobicContact CD1-CD1 4.13Å; L374-L397 HydrophobicContact CD1-CD2 3.56Å; L374-L397 HydrophobicContact CD1-CG 3.72Å; R377-L397 HydrophobicContact CB-CD1 4.35Å; R377-L397 HydrophobicContact CG-CD1 3.51Å; L378-L397 HydrophobicContact CD1-CD2 4.48Å; L378-L397 HydrophobicContact CD2-CD2 3.44Å; L378-L397 VanDerWaalsContact CD2-CD2 3.44Å; L378-L397 HydrophobicContact CG-CD2 3.79Å; L390-L397 HydrophobicContact CD1-CD1 4.4Å; R394-L397 WeakPolarHBondContact O-CB 3.16Å; R394-L397 PolarHBondContact O-N 2.88Å; C395-L397 VanDerWaalsContact C-N 3.26Å; L397-G399 PolarHBondContact O-N 3.05Å; L397-E400 HydrophobicContact CB-CB 4.22Å; L397-E400 HydrophobicContact CB-CG 3.81Å; L397-E400 HydrophobicContact CD1-CG 4.04Å; L397-E400 PolarHBondContact O-N 3.38Å
398	A	90.8	Very high	83	Confident	46 Å²	46	64.7 Å²	64.7	38%	0.38	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.2	-178.4	0	0	0	0	0	114	G356 E400	G356-A398 PolarHBondContact O-N 3.21Å; A398-E400 VanDerWaalsContact C-N 3.28Å; A398-E400 PolarHBondContact O-N 3.42Å
399	G	80.6	Confident	82.1	Confident	61 Å²	61	68.6 Å²	68.6	63%	0.629	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.8	179.9	0	0	0	0	0	114.8	L397	L397-G399 PolarHBondContact O-N 3.05Å
400	E	81.8	Confident	81.6	Confident	49 Å²	49	69 Å²	69	23%	0.229	39%	0.39	C	S	.	.	S	Bend	trans	-108.2	130.1	-177.8	-63.3	-69.6	160.2	0	0	110.4	H358 R377 R394 L397 A398	H358-E400 PolarHBondContact NE2-O 3.15Å; H358-E400 VanDerWaalsContact NE2-O 3.14Å; R377-E400 IonicContact CZ-OE1 3.34Å; R377-E400 IonicContact NE-OE1 2.62Å; R377-E400 IonicContact NH2-OE1 2.93Å; R377-E400 PolarHBondContact NH2-OE1 3.16Å; R394-E400 HydrophobicContact CB-CG 4.4Å; R394-E400 WeakPolarHBondContact O-CB 3.28Å; L397-E400 HydrophobicContact CB-CB 4.22Å; L397-E400 HydrophobicContact CB-CG 3.81Å; L397-E400 HydrophobicContact CD1-CG 4.04Å; L397-E400 PolarHBondContact O-N 3.38Å; A398-E400 VanDerWaalsContact C-N 3.28Å; A398-E400 PolarHBondContact O-N 3.42Å
401	T	70.9	Confident	81.3	Confident	103 Å²	103	71 Å²	71	63%	0.632	40%	0.401	S	S	*	.			trans	-85.8	113.4	174.1	57.6	0	0	0	0	110
402	C	70.3	Confident	81.2	Confident	56 Å²	56	70.3 Å²	70.3	38%	0.378	40%	0.397	S	S	.	.			trans	-93.7	100.4	170	-92.9	0	0	0	0	111.3	C395	C395-C402 WeakPolarHBondContact CA-SG 3.4Å; C395-C402 HydrophobicContact CB-CB 3.77Å; C395-C402 WeakPolarHBondContact CB-SG 3.07Å; C395-C402 WeakPolarHBondContact SG-CB 3.18Å; C395-C402 CovalentContact SG-SG 2.02Å; C395-C402 PolarHBondContact SG-SG 3.04Å
403	W	64.6	Low	81.1	Confident	162 Å²	162	68.2 Å²	68.2	61%	0.614	40%	0.396	S	S	*	.			trans	-82.5	135.6	164.9	-60.2	83.2	0	0	0	109.2	M405 V408	W403-M405 PolarHBondContact O-N 3.25Å; W403-M405 VanDerWaalsContact O-N 3.1Å; W403-V408 HydrophobicContact CB-CG2 3.46Å; W403-V408 VanDerWaalsContact CB-CG2 3.46Å; W403-V408 HydrophobicContact CD2-CG2 4.06Å; W403-V408 HydrophobicContact CE3-CG2 3.8Å; W403-V408 HydrophobicContact CG-CG2 3.97Å
404	D	62.2	Low	81.2	Confident	101 Å²	101	69.9 Å²	69.9	54%	0.54	41%	0.414	S	S	.	.			trans	-65.3	111.1	163.1	-177.8	-15.6	0	0	0	107.6	A406 L407 V408	D404-A406 PolarHBondContact O-N 2.04Å; D404-A406 VanDerWaalsContact OD1-CB 3.31Å; D404-A406 WeakPolarHBondContact OD1-CB 3.47Å; D404-A406 PolarHBondContact OD1-N 3.48Å; D404-L407 HydrophobicContact CB-CB 3.79Å; D404-L407 CarbonylContact O-C 3.56Å; D404-L407 WeakPolarHBondContact O-CA 3.5Å; D404-L407 WeakPolarHBondContact O-CB 3.17Å; D404-L407 PolarHBondContact O-N 2.85Å; D404-V408 PolarHBondContact O-N 3.25Å
405	M	65.6	Low	81.3	Confident	115 Å²	115	69.5 Å²	69.5	57%	0.567	42%	0.421	S	S	*	.	H	α-helix	trans	-58.4	-31.8	-178.6	-69.6	-64.8	-71.4	0	0	111.5	W403 L407 V408 I409	W403-M405 PolarHBondContact O-N 3.25Å; W403-M405 VanDerWaalsContact O-N 3.1Å; M405-L407 VanDerWaalsContact C-N 3.33Å; M405-V408 PolarHBondContact O-N 3.28Å; M405-I409 VanDerWaalsContact O-CB 3.25Å; M405-I409 WeakPolarHBondContact O-CB 3.31Å; M405-I409 WeakPolarHBondContact O-CD1 3.45Å; M405-I409 WeakPolarHBondContact O-CG1 3.31Å; M405-I409 PolarHBondContact O-N 3.15Å
406	A	64.6	Low	81.5	Confident	69 Å²	69	72.8 Å²	72.8	57%	0.57	44%	0.436	S	S	*	.	H	α-helix	trans	-67.7	-37.1	175	0	0	0	0	0	111.3	D404 G410	D404-A406 PolarHBondContact O-N 2.04Å; D404-A406 VanDerWaalsContact OD1-CB 3.31Å; D404-A406 WeakPolarHBondContact OD1-CB 3.47Å; D404-A406 PolarHBondContact OD1-N 3.48Å; A406-G410 PolarHBondContact O-N 2.91Å
407	L	70.6	Confident	81.5	Confident	104 Å²	104	77.9 Å²	77.9	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-72.7	-37.7	177.7	-158.3	137.2	0	0	0	111.7	D404 M405 G410 L411	D404-L407 HydrophobicContact CB-CB 3.79Å; D404-L407 CarbonylContact O-C 3.56Å; D404-L407 WeakPolarHBondContact O-CA 3.5Å; D404-L407 WeakPolarHBondContact O-CB 3.17Å; D404-L407 PolarHBondContact O-N 2.85Å; M405-L407 VanDerWaalsContact C-N 3.33Å; L407-G410 PolarHBondContact O-N 3Å; L407-L411 HydrophobicContact CD2-CD1 3.85Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 3.08Å
408	V	77.2	Confident	81.5	Confident	43 Å²	43	82.8 Å²	82.8	26%	0.261	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-47.6	172.9	176.1	0	0	0	0	111	W403 D404 M405 G410 L411 V412	W403-V408 HydrophobicContact CB-CG2 3.46Å; W403-V408 VanDerWaalsContact CB-CG2 3.46Å; W403-V408 HydrophobicContact CD2-CG2 4.06Å; W403-V408 HydrophobicContact CE3-CG2 3.8Å; W403-V408 HydrophobicContact CG-CG2 3.97Å; D404-V408 PolarHBondContact O-N 3.25Å; M405-V408 PolarHBondContact O-N 3.28Å; V408-G410 VanDerWaalsContact C-N 3.29Å; V408-G410 PolarHBondContact O-N 3.05Å; V408-L411 PolarHBondContact O-N 3.46Å; V408-V412 HydrophobicContact CG1-CG2 4.36Å; V408-V412 WeakPolarHBondContact O-CB 3.44Å; V408-V412 VanDerWaalsContact O-CG2 3.28Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.14Å
409	I	79.2	Confident	81.7	Confident	101 Å²	101	85 Å²	85	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.2	-69.6	165	0	0	0	109.5	M405 L411 V412 V413	M405-I409 VanDerWaalsContact O-CB 3.25Å; M405-I409 WeakPolarHBondContact O-CB 3.31Å; M405-I409 WeakPolarHBondContact O-CD1 3.45Å; M405-I409 WeakPolarHBondContact O-CG1 3.31Å; M405-I409 PolarHBondContact O-N 3.15Å; I409-L411 PolarHBondContact O-N 3.36Å; I409-V412 PolarHBondContact O-N 2.56Å; I409-V413 HydrophobicContact CG2-CG2 4.1Å; I409-V413 WeakPolarHBondContact O-CB 3.23Å; I409-V413 WeakPolarHBondContact O-CG2 3.48Å; I409-V413 PolarHBondContact O-N 3.49Å
410	G	86.1	Confident	82.4	Confident	41 Å²	41	85.9 Å²	85.9	42%	0.423	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-44.9	175.9	0	0	0	0	0	112.9	A406 L407 V408 G414	A406-G410 PolarHBondContact O-N 2.91Å; L407-G410 PolarHBondContact O-N 3Å; V408-G410 VanDerWaalsContact C-N 3.29Å; V408-G410 PolarHBondContact O-N 3.05Å; G410-G414 PolarHBondContact O-N 2.9Å
411	L	88.4	Confident	83	Confident	100 Å²	100	87.6 Å²	87.6	52%	0.524	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-46.8	174.9	-84.5	166.1	0	0	0	111.9	L407 V408 I409 G414 V415	L407-L411 HydrophobicContact CD2-CD1 3.85Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 3.08Å; V408-L411 PolarHBondContact O-N 3.46Å; I409-L411 PolarHBondContact O-N 3.36Å; L411-G414 PolarHBondContact O-N 2.86Å; L411-V415 WeakPolarHBondContact O-CB 3.44Å; L411-V415 VanDerWaalsContact O-CG2 3.27Å; L411-V415 WeakPolarHBondContact O-CG2 3.39Å; L411-V415 PolarHBondContact O-N 3.07Å
412	V	91.7	Very high	84.1	Confident	78 Å²	78	86 Å²	86	47%	0.473	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-47.8	180	171.6	0	0	0	0	110.7	V408 I409 G414 V415 L416	V408-V412 HydrophobicContact CG1-CG2 4.36Å; V408-V412 WeakPolarHBondContact O-CB 3.44Å; V408-V412 VanDerWaalsContact O-CG2 3.28Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.14Å; I409-V412 PolarHBondContact O-N 2.56Å; V412-G414 VanDerWaalsContact C-N 3.34Å; V412-G414 PolarHBondContact O-N 3.42Å; V412-V415 PolarHBondContact O-N 3.13Å; V412-L416 HydrophobicContact CG1-CD1 3.97Å; V412-L416 WeakPolarHBondContact O-CB 3.42Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.41Å; V412-L416 PolarHBondContact O-N 3.3Å
413	V	93.3	Very high	85.1	Confident	73 Å²	73	87.2 Å²	87.2	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-43.8	176.4	172.4	0	0	0	0	110.4	I409 V415 L416 L417	I409-V413 HydrophobicContact CG2-CG2 4.1Å; I409-V413 WeakPolarHBondContact O-CB 3.23Å; I409-V413 WeakPolarHBondContact O-CG2 3.48Å; I409-V413 PolarHBondContact O-N 3.49Å; V413-V415 PolarHBondContact O-N 2.78Å; V413-L416 PolarHBondContact O-N 2.92Å; V413-L417 HydrophobicContact CG1-CD1 3.97Å; V413-L417 HydrophobicContact CG1-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.42Å; V413-L417 VanDerWaalsContact O-CG 3.32Å; V413-L417 WeakPolarHBondContact O-CG 3.41Å; V413-L417 PolarHBondContact O-N 3.35Å
414	G	93.9	Very high	86.4	Confident	36 Å²	36	83.6 Å²	83.6	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-45	176.8	0	0	0	0	0	112.9	G410 L411 V412 L417 L418	G410-G414 PolarHBondContact O-N 2.9Å; L411-G414 PolarHBondContact O-N 2.86Å; V412-G414 VanDerWaalsContact C-N 3.34Å; V412-G414 PolarHBondContact O-N 3.42Å; G414-L417 PolarHBondContact O-N 3.07Å; G414-L418 PolarHBondContact O-N 2.93Å
415	V	95.4	Very high	87.7	Confident	79 Å²	79	83.4 Å²	83.4	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.2	170.2	0	0	0	0	111.2	L411 V412 V413 L417 L418 L419	L411-V415 WeakPolarHBondContact O-CB 3.44Å; L411-V415 VanDerWaalsContact O-CG2 3.27Å; L411-V415 WeakPolarHBondContact O-CG2 3.39Å; L411-V415 PolarHBondContact O-N 3.07Å; V412-V415 PolarHBondContact O-N 3.13Å; V413-V415 PolarHBondContact O-N 2.78Å; V415-L417 PolarHBondContact O-N 2.91Å; V415-L418 PolarHBondContact O-N 3.3Å; V415-L419 HydrophobicContact CG1-CD1 3.88Å; V415-L419 HydrophobicContact CG1-CG 4.37Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.37Å; V415-L419 PolarHBondContact O-N 3.24Å
416	L	94.5	Very high	88.7	Confident	101 Å²	101	84.8 Å²	84.8	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-40	177.2	-72.5	169.9	0	0	0	112.2	V412 V413 L419 T420	V412-L416 HydrophobicContact CG1-CD1 3.97Å; V412-L416 WeakPolarHBondContact O-CB 3.42Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.41Å; V412-L416 PolarHBondContact O-N 3.3Å; V413-L416 PolarHBondContact O-N 2.92Å; L416-L419 PolarHBondContact O-N 2.87Å; L416-T420 PolarHBondContact O-N 3.27Å; L416-T420 PolarHBondContact O-OG1 3.19Å
417	L	95.4	Very high	89.5	Confident	107 Å²	107	90.8 Å²	90.8	56%	0.56	50%	0.498	S	S	*	.	H	α-helix	trans	-64.8	-42.2	174.2	-72.6	172.4	0	0	0	111.6	V413 G414 V415 T420 V421	V413-L417 HydrophobicContact CG1-CD1 3.97Å; V413-L417 HydrophobicContact CG1-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.42Å; V413-L417 VanDerWaalsContact O-CG 3.32Å; V413-L417 WeakPolarHBondContact O-CG 3.41Å; V413-L417 PolarHBondContact O-N 3.35Å; G414-L417 PolarHBondContact O-N 3.07Å; V415-L417 PolarHBondContact O-N 2.91Å; L417-T420 VanDerWaalsContact CA-OG1 3.28Å; L417-T420 WeakPolarHBondContact CA-OG1 3.3Å; L417-T420 PolarHBondContact O-N 3.19Å; L417-T420 PolarHBondContact O-OG1 3.1Å; L417-V421 VanDerWaalsContact O-CG2 3.32Å; L417-V421 WeakPolarHBondContact O-CG2 3.17Å; L417-V421 PolarHBondContact O-N 3.46Å
418	L	95.2	Very high	89.8	Confident	113 Å²	113	89.4 Å²	89.4	59%	0.592	50%	0.496	S	S	*	.	H	α-helix	trans	-62.7	-46	176.9	-161.3	90.5	0	0	0	111.6	G414 V415 T420 V421 I422	G414-L418 PolarHBondContact O-N 2.93Å; V415-L418 PolarHBondContact O-N 3.3Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 2.94Å; L418-V421 PolarHBondContact O-N 2.66Å; L418-I422 HydrophobicContact CD2-CD1 4.12Å; L418-I422 HydrophobicContact CG-CD1 4.14Å; L418-I422 VanDerWaalsContact O-CG1 3.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.43Å; L418-I422 PolarHBondContact O-N 3.43Å
419	L	94.7	Very high	89.7	Confident	93 Å²	93	93.9 Å²	93.9	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-38.4	179.3	-72.5	170.9	0	0	0	112.2	V415 L416 T423	V415-L419 HydrophobicContact CG1-CD1 3.88Å; V415-L419 HydrophobicContact CG1-CG 4.37Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.37Å; V415-L419 PolarHBondContact O-N 3.24Å; L416-L419 PolarHBondContact O-N 2.87Å; L419-T423 WeakPolarHBondContact O-CB 3.5Å; L419-T423 PolarHBondContact O-N 2.82Å; L419-T423 PolarHBondContact O-OG1 3.21Å
420	T	94.6	Very high	88.8	Confident	80 Å²	80	92 Å²	92	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-66.8	-43.6	175.7	39.2	0	0	0	0	111.6	L416 L417 L418 I422 T423 V424	L416-T420 PolarHBondContact O-N 3.27Å; L416-T420 PolarHBondContact O-OG1 3.19Å; L417-T420 VanDerWaalsContact CA-OG1 3.28Å; L417-T420 WeakPolarHBondContact CA-OG1 3.3Å; L417-T420 PolarHBondContact O-N 3.19Å; L417-T420 PolarHBondContact O-OG1 3.1Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 2.94Å; T420-I422 PolarHBondContact O-N 3.38Å; T420-T423 PolarHBondContact O-N 2.9Å; T420-V424 WeakPolarHBondContact O-CG2 3.42Å; T420-V424 PolarHBondContact O-N 3.46Å
421	V	94.5	Very high	87.5	Confident	85 Å²	85	95.7 Å²	95.7	52%	0.515	54%	0.536	S	S	.	.	H	α-helix	trans	-59.3	-47.5	174.5	171.3	0	0	0	0	111.3	L417 L418 T423 V424 L425	L417-V421 VanDerWaalsContact O-CG2 3.32Å; L417-V421 WeakPolarHBondContact O-CG2 3.17Å; L417-V421 PolarHBondContact O-N 3.46Å; L418-V421 PolarHBondContact O-N 2.66Å; V421-T423 VanDerWaalsContact C-N 3.32Å; V421-T423 PolarHBondContact O-N 3.24Å; V421-V424 PolarHBondContact O-N 2.71Å; V421-L425 HydrophobicContact CG1-CD1 3.97Å; V421-L425 HydrophobicContact CG1-CG 4.44Å; V421-L425 WeakPolarHBondContact O-CG 3.47Å; V421-L425 PolarHBondContact O-N 3.22Å
422	I	93.5	Very high	86	Confident	69 Å²	69	101.4 Å²	101.4	35%	0.354	55%	0.551	S	S	.	*	H	α-helix	trans	-58.8	-44.8	177.1	-70.2	167.7	0	0	0	110.6	L418 T420 V424 L425 F426	L418-I422 HydrophobicContact CD2-CD1 4.12Å; L418-I422 HydrophobicContact CG-CD1 4.14Å; L418-I422 VanDerWaalsContact O-CG1 3.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.43Å; L418-I422 PolarHBondContact O-N 3.43Å; T420-I422 PolarHBondContact O-N 3.38Å; I422-V424 PolarHBondContact O-N 3.46Å; I422-L425 PolarHBondContact O-N 3.01Å; I422-F426 HydrophobicContact CG2-CD2 3.64Å; I422-F426 HydrophobicContact CG2-CE2 3.68Å; I422-F426 VanDerWaalsContact O-CD2 3.31Å; I422-F426 WeakPolarHBondContact O-CD2 3.49Å; I422-F426 PolarHBondContact O-N 2.97Å
423	T	92.4	Very high	84.1	Confident	81 Å²	81	108.9 Å²	108.9	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-63.5	-40.6	179.7	-55.6	0	0	0	0	112.1	L419 T420 V421 F426 R427	L419-T423 WeakPolarHBondContact O-CB 3.5Å; L419-T423 PolarHBondContact O-N 2.82Å; L419-T423 PolarHBondContact O-OG1 3.21Å; T420-T423 PolarHBondContact O-N 2.9Å; V421-T423 VanDerWaalsContact C-N 3.32Å; V421-T423 PolarHBondContact O-N 3.24Å; T423-F426 PolarHBondContact O-N 3.26Å; T423-R427 PolarHBondContact O-N 2.87Å
424	V	91.1	Very high	82	Confident	86 Å²	86	110.5 Å²	110.5	52%	0.521	59%	0.585	S	S	.	*	H	α-helix	trans	-64.6	-45.4	175.2	171.3	0	0	0	0	110.7	T420 V421 I422 F426 R427 C428	T420-V424 WeakPolarHBondContact O-CG2 3.42Å; T420-V424 PolarHBondContact O-N 3.46Å; V421-V424 PolarHBondContact O-N 2.71Å; I422-V424 PolarHBondContact O-N 3.46Å; V424-F426 PolarHBondContact O-N 3.43Å; V424-R427 PolarHBondContact O-N 3.07Å; V424-R427 VanDerWaalsContact O-N 3.15Å; V424-C428 PolarHBondContact O-N 3.06Å; V424-C428 PolarHBondContact O-SG 3.42Å; V424-C428 VanDerWaalsContact O-SG 3.33Å
425	L	88.9	Confident	80	Confident	98 Å²	98	114.6 Å²	114.6	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-59.2	-45	176.4	-72.5	170.5	0	0	0	111.7	V421 I422 R427 C428 M429	V421-L425 HydrophobicContact CG1-CD1 3.97Å; V421-L425 HydrophobicContact CG1-CG 4.44Å; V421-L425 WeakPolarHBondContact O-CG 3.47Å; V421-L425 PolarHBondContact O-N 3.22Å; I422-L425 PolarHBondContact O-N 3.01Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 3.32Å; L425-C428 PolarHBondContact O-N 3.49Å; L425-M429 WeakPolarHBondContact O-CB 3.43Å; L425-M429 VanDerWaalsContact O-CG 3.24Å; L425-M429 WeakPolarHBondContact O-CG 3Å; L425-M429 PolarHBondContact O-N 3.32Å
426	F	86.8	Confident	77.7	Confident	144 Å²	144	117.9 Å²	117.9	63%	0.632	62%	0.623	S	S	*	*	H	α-helix	trans	-61.9	-38.9	174.9	-89.5	-72.7	0	0	0	112.7	I422 T423 V424 M429 G430	I422-F426 HydrophobicContact CG2-CD2 3.64Å; I422-F426 HydrophobicContact CG2-CE2 3.68Å; I422-F426 VanDerWaalsContact O-CD2 3.31Å; I422-F426 WeakPolarHBondContact O-CD2 3.49Å; I422-F426 PolarHBondContact O-N 2.97Å; T423-F426 PolarHBondContact O-N 3.26Å; V424-F426 PolarHBondContact O-N 3.43Å; F426-M429 PolarHBondContact O-N 2.82Å; F426-G430 PolarHBondContact O-N 2.96Å
427	R	82.2	Confident	75.6	Confident	194 Å²	194	118.4 Å²	118.4	73%	0.732	63%	0.632	S	S	*	*	H	α-helix	trans	-64.7	-43.6	173.1	-83.4	-170.9	175.3	178.1	0.1	112.3	T423 V424 L425 M429 G430 T431	T423-R427 PolarHBondContact O-N 2.87Å; V424-R427 PolarHBondContact O-N 3.07Å; V424-R427 VanDerWaalsContact O-N 3.15Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 3.32Å; R427-M429 VanDerWaalsContact C-N 3.29Å; R427-M429 PolarHBondContact O-N 3.32Å; R427-G430 PolarHBondContact O-N 3.07Å; R427-T431 PolarHBondContact O-N 3.3Å; R427-T431 VanDerWaalsContact O-N 3.1Å; R427-T431 PolarHBondContact O-OG1 2.96Å
428	C	76.8	Confident	73.3	Confident	76 Å²	76	124.7 Å²	124.7	51%	0.514	65%	0.649	S	S	.	*	H	α-helix	trans	-66.2	-30.8	177	-68.5	0	0	0	0	112.8	V424 L425 T431	V424-C428 PolarHBondContact O-N 3.06Å; V424-C428 PolarHBondContact O-SG 3.42Å; V424-C428 VanDerWaalsContact O-SG 3.33Å; L425-C428 PolarHBondContact O-N 3.49Å; C428-T431 PolarHBondContact O-OG1 2.99Å
429	M	74.8	Confident	71.1	Confident	137 Å²	137	125.3 Å²	125.3	68%	0.675	66%	0.659	S	S	*	*	H	α-helix	trans	-77.8	-34.4	173.7	-69.1	175.5	70.5	0	0	111.9	L425 F426 R427 R432	L425-M429 WeakPolarHBondContact O-CB 3.43Å; L425-M429 VanDerWaalsContact O-CG 3.24Å; L425-M429 WeakPolarHBondContact O-CG 3Å; L425-M429 PolarHBondContact O-N 3.32Å; F426-M429 PolarHBondContact O-N 2.82Å; R427-M429 VanDerWaalsContact C-N 3.29Å; R427-M429 PolarHBondContact O-N 3.32Å; M429-R432 PolarHBondContact O-N 3.28Å
430	G	60.8	Low	68.7	Low	62 Å²	62	130.9 Å²	130.9	64%	0.639	68%	0.68	S	S	*	*	H	α-helix	trans	-71.8	-23.1	177.3	0	0	0	0	0	114.7	F426 R427 R432	F426-G430 PolarHBondContact O-N 2.96Å; R427-G430 PolarHBondContact O-N 3.07Å; G430-R432 VanDerWaalsContact C-N 3.3Å
431	T	58.7	Low	66.1	Low	117 Å²	117	136.1 Å²	136.1	72%	0.718	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-4.4	174.7	48.9	0	0	0	0	113.8	R427 C428 R433	R427-T431 PolarHBondContact O-N 3.3Å; R427-T431 VanDerWaalsContact O-N 3.1Å; R427-T431 PolarHBondContact O-OG1 2.96Å; C428-T431 PolarHBondContact O-OG1 2.99Å; T431-R433 PolarHBondContact O-N 3.37Å
432	R	57.2	Low	63.5	Low	220 Å²	220	143.5 Å²	143.5	83%	0.83	72%	0.717	S	S	*	*			trans	-93.8	64.1	170.8	-83.3	-175.1	172	179.4	-1.1	111.9	M429 G430	M429-R432 PolarHBondContact O-N 3.28Å; G430-R432 VanDerWaalsContact C-N 3.3Å
433	R	52.3	Low	60.9	Low	236 Å²	236	146.7 Å²	146.7	89%	0.891	73%	0.734	S	S	*	*			trans	-168.7	93.5	152.9	-114.4	174.3	-178.1	-178.1	0.6	112.7	T431	T431-R433 PolarHBondContact O-N 3.37Å
434	S	48.6	Very low	58.4	Low	107 Å²	107	150.7 Å²	150.7	75%	0.748	75%	0.753	S	S	*	*			trans	-179.8	88.3	130.3	41	0	0	0	0	107.9	D436	S434-D436 PolarHBondContact O-N 3.09Å
435	S	51.2	Low	56	Low	122 Å²	122	154.9 Å²	154.9	85%	0.853	76%	0.764	S	S	*	*			trans	-80.1	102.1	156.1	47.4	0	0	0	0	106.5
436	D	46.8	Very low	53.7	Low	148 Å²	148	158 Å²	158	79%	0.791	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.3	145.1	174.1	-90.6	-24.8	0	0	0	111.3	S434	S434-D436 PolarHBondContact O-N 3.09Å
437	P	50.9	Low	51.5	Low	112 Å²	112	155.5 Å²	155.5	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-77.9	140	-176.8	31.3	-32.7	0	0	0	111.8
438	R	47.7	Very low	49.6	Very low	239 Å²	239	152.7 Å²	152.7	90%	0.902	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-56.2	137.5	174.5	-65.7	-179.2	-172.2	-180	1.7	111.2
439	P	48.6	Very low	48.2	Very low	125 Å²	125	154.8 Å²	154.8	81%	0.812	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-78.5	137.9	174.7	29.7	-30.4	0	0	0	111.8
440	F	43.5	Very low	46.9	Very low	211 Å²	211	154.6 Å²	154.6	93%	0.925	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.7	129	168.4	-99.1	-99.3	0	0	0	110.4
441	Q	40.9	Very low	46.6	Very low	190 Å²	190	159.3 Å²	159.3	89%	0.888	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-92.1	119.4	172.9	-149.4	172.1	2	0	0	108.6
442	R	40	Very low	46.6	Very low	240 Å²	240	158.5 Å²	158.5	91%	0.906	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.8	137.7	172.7	-110.2	-176.8	-170.2	179.8	2.7	109.5
443	L	37.8	Very low	46.6	Very low	135 Å²	135	154.8 Å²	154.8	71%	0.707	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62.5	132.4	164.8	-86.8	87.5	0	0	0	110	F445	L443-F445 HydrophobicContact CD2-CD2 4.35Å; L443-F445 HydrophobicContact CD2-CE2 3.76Å; L443-F445 HydrophobicContact CD2-CZ 4.37Å
444	D	40.5	Very low	46.3	Very low	165 Å²	165	150.9 Å²	150.9	88%	0.882	78%	0.781	S	S	*	*			trans	-116.8	126.8	150.3	-82.8	-35.3	0	0	0	108.3
445	F	40.5	Very low	46.8	Very low	175 Å²	175	155 Å²	155	77%	0.768	81%	0.805	S	S	*	*			trans	-82.1	148	170.8	-85.2	-98.8	0	0	0	110	L443	L443-F445 HydrophobicContact CD2-CD2 4.35Å; L443-F445 HydrophobicContact CD2-CE2 3.76Å; L443-F445 HydrophobicContact CD2-CZ 4.37Å
446	L	41	Very low	46.5	Very low	162 Å²	162	156.7 Å²	156.7	85%	0.848	80%	0.802	S	S	*	*			trans	179.1	103.1	144.6	-91.9	155	0	0	0	106.3
447	C	39.7	Very low	46.5	Very low	93 Å²	93	157.1 Å²	157.1	63%	0.628	80%	0.803	S	S	*	*				57.2	103.3	97.4	-76.2	0	0	0	0	112.3
448	D	43.4	Very low	46.3	Very low	134 Å²	134	159.6 Å²	159.6	72%	0.717	81%	0.807	S	S	*	*				113.2	146.7	97.9	-79.8	-4.6	0	0	0	105.2
449	D	46.5	Very low	46.2	Very low	121 Å²	121	154.9 Å²	154.9	65%	0.647	80%	0.802	S	S	*	*			cis	-165.9	159	5.7	-105.2	-26.6	0	0	0	107
450	D	48	Very low	46.1	Very low	132 Å²	132	156.8 Å²	156.8	71%	0.706	80%	0.801	S	S	*	*			trans	59.1	108.6	143.7	-61.9	-21.8	0	0	0	121.1
451	E	54.9	Low	46.2	Very low	161 Å²	161	153.2 Å²	153.2	75%	0.752	79%	0.793	S	S	*	*				77.4	163.5	90.5	-107.2	-152	163	0	0	113.8
452	P	59.6	Low	46.6	Very low	100 Å²	100	150.6 Å²	150.6	65%	0.649	79%	0.786	S	S	*	*			cis	-134.4	178.1	-10.7	23.5	1.6	0	0	0	115.3
453	L	56.3	Low	47.1	Very low	143 Å²	143	143.7 Å²	143.7	75%	0.749	78%	0.777	S	S	*	*			trans	-29.6	157.8	163.3	-60	142	0	0	0	115.8
454	I	45.5	Very low	47.9	Very low	154 Å²	154	144.4 Å²	144.4	79%	0.79	78%	0.782	S	S	*	*				177.7	169.3	67.7	-63.9	166.9	0	0	0	105.2
455	P	58.9	Low	48.6	Very low	193 Å²	193	142.5 Å²	142.5	100%	1.253	77%	0.773	S	S	*	*			cis	-111.9	0	-26.3	21.5	-3	0	0	0	114.2

Retrieved 455 of 455 residues in 762.1 ms (Link to these results)

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