A0A060W214_ONCMY Loading...

Ferroptosis suppressor protein 1

Putative FAD-dependent oxidoreductase.

AlphaFold DB , UniProt , Accession A0A060W214, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene aifm2, Length 371 aa.

Structure Viewer

Loading PAE data...

(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	33.8	Very low	57.4	Low	248 Å²	248	108.3 Å²	108.3	100%	1.222	63%	0.627	S	S	*	*				0	103.8	0	-71.3	174.1	-172.5	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 3.16Å
2	G	41.3	Very low	60.8	Low	80 Å²	80	99.3 Å²	99.3	83%	0.825	58%	0.575	S	S	*	*			trans	-75.9	118.7	-176	0	0	0	0	0	109.9	Q4	G2-Q4 PolarHBondContact O-N 2.69Å
3	S	39.3	Very low	63.8	Low	90 Å²	90	91.6 Å²	91.6	63%	0.629	53%	0.53	S	S	*	.			trans	-62.8	103.9	165.6	52.6	0	0	0	0	107.7	M1 V5	M1-S3 PolarHBondContact O-N 3.16Å; S3-V5 PolarHBondContact O-N 2.85Å; S3-V5 VanDerWaalsContact O-N 3.11Å
4	Q	44.6	Very low	66.3	Low	193 Å²	193	85.1 Å²	85.1	90%	0.902	49%	0.493	S	S	*	.			trans	-58	114.1	164.9	-94	174.1	-33.7	0	0	107	G2 S6	G2-Q4 PolarHBondContact O-N 2.69Å; Q4-S6 PolarHBondContact O-N 3.15Å
5	V	48.3	Very low	68.4	Low	55 Å²	55	79.8 Å²	79.8	33%	0.333	46%	0.462	S	S	.	.			trans	-58	130.8	170.3	179.7	0	0	0	0	106.8	S3 V7 L311 M312	S3-V5 PolarHBondContact O-N 2.85Å; S3-V5 VanDerWaalsContact O-N 3.11Å; V5-V7 WeakPolarHBondContact O-CG2 3.41Å; V5-V7 PolarHBondContact O-N 3.3Å; V5-V7 VanDerWaalsContact O-N 3.1Å; V5-L311 HydrophobicContact CG1-CB 4.43Å; V5-M312 HydrophobicContact CG2-CG 4.18Å
6	S	44.3	Very low	70.3	Confident	95 Å²	95	75.5 Å²	75.5	66%	0.664	44%	0.44	S	S	*	.			trans	-62.8	108.7	168.8	172.4	0	0	0	0	108	Q4	Q4-S6 PolarHBondContact O-N 3.15Å
7	V	55.9	Low	71.9	Confident	67 Å²	67	71.1 Å²	71.1	41%	0.406	41%	0.414	S	S	.	.			trans	-90.9	1.5	-169.7	-154.7	0	0	0	0	112.7	V5 N9 V10 P34	V5-V7 WeakPolarHBondContact O-CG2 3.41Å; V5-V7 PolarHBondContact O-N 3.3Å; V5-V7 VanDerWaalsContact O-N 3.1Å; V7-N9 PolarHBondContact O-N 3.15Å; V7-V10 HydrophobicContact CG1-CB 4.19Å; V7-V10 PolarHBondContact O-N 3.25Å; V7-V10 VanDerWaalsContact O-N 3.11Å; V7-P34 VanDerWaalsContact CG1-CD 3.45Å; V7-P34 HydrophobicContact CG1-CG 3.6Å
8	D	55.8	Low	73.3	Confident	135 Å²	135	68.3 Å²	68.3	72%	0.722	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	111.4	178.7	-66.2	-23.1	0	0	0	108.8
9	N	77.6	Confident	74.6	Confident	157 Å²	157	66.8 Å²	66.8	84%	0.84	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	8.2	-178.1	-47.7	-36.7	0	0	0	118.4	V7	V7-N9 PolarHBondContact O-N 3.15Å
10	V	93.1	Very high	75.8	Confident	17 Å²	17	63.7 Å²	63.7	10%	0.103	38%	0.375	C	S	.	.			trans	-91.2	114	173.2	-177.5	0	0	0	0	110.8	V7 I33 P34 L311	V7-V10 HydrophobicContact CG1-CB 4.19Å; V7-V10 PolarHBondContact O-N 3.25Å; V7-V10 VanDerWaalsContact O-N 3.11Å; V10-I33 HydrophobicContact CG1-CG2 4.1Å; V10-P34 WeakPolarHBondContact O-CB 3.43Å; V10-P34 WeakPolarHBondContact O-CG 3.38Å; V10-L311 HydrophobicContact CG1-CD1 3.76Å; V10-L311 HydrophobicContact CG1-CD2 4.45Å; V10-L311 HydrophobicContact CG2-CD1 4.02Å; V10-L311 HydrophobicContact CG2-CD2 3.58Å; V10-L311 HydrophobicContact CG2-CG 4.45Å
11	H	97.4	Very high	76.9	Confident	54 Å²	54	60.7 Å²	60.7	25%	0.25	36%	0.357	C	S	.	.			trans	-135.1	125.5	168.1	-167	69.5	0	0	0	110.5	F35 T36 H99 S101 H102	H11-F35 VanDerWaalsContact CE1-C 3.48Å; H11-T36 PolarHBondContact CE1-OG1 3.44Å; H11-T36 PolarHBondContact NE2-OG1 2.96Å; H11-H99 PolarHBondContact CD2-O 2.9Å; H11-S101 PolarHBondContact N-OG 3.26Å; H11-S101 PolarHBondContact O-N 2.84Å; H11-S101 PolarHBondContact O-OG 3.3Å; H11-H102 PolarHBondContact O-N 3.31Å
12	V	98.7	Very high	80	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.1	178.8	-175	0	0	0	0	109.9	V14 L28 I33 P34 F35 T36 H102 I104 I307	V12-V14 HydrophobicContact CG1-CG2 4.31Å; V12-L28 HydrophobicContact CB-CD1 4.09Å; V12-L28 HydrophobicContact CB-CD2 4.2Å; V12-L28 HydrophobicContact CG1-CD1 3.75Å; V12-L28 HydrophobicContact CG1-CD2 4.24Å; V12-L28 HydrophobicContact CG2-CD2 3.93Å; V12-I33 HydrophobicContact CG2-CG2 3.7Å; V12-P34 PolarHBondContact N-O 2.64Å; V12-F35 HydrophobicContact CB-CB 4.16Å; V12-F35 CarbonylContact O-C 3.51Å; V12-F35 WeakPolarHBondContact O-CA 3.07Å; V12-F35 VanDerWaalsContact O-CB 3.26Å; V12-F35 WeakPolarHBondContact O-CB 3.46Å; V12-T36 PolarHBondContact O-N 3.43Å; V12-H102 WeakPolarHBondContact CA-O 3.36Å; V12-H102 HydrophobicContact CG1-CB 4.49Å; V12-H102 HydrophobicContact CG2-CB 4.26Å; V12-I104 HydrophobicContact CG1-CD1 4.08Å; V12-I104 HydrophobicContact CG1-CG1 4.1Å; V12-I307 HydrophobicContact CG1-CD1 4.03Å; V12-I307 HydrophobicContact CG2-CD1 4.46Å; V12-I307 HydrophobicContact CG2-CG2 4.15Å
13	V	98.9	Very high	82.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.5	170.7	172.9	0	0	0	0	109.4	V15 I38 V90 V98 Y100 H102 L103 I104	V13-V15 HydrophobicContact CG1-CG2 3.95Å; V13-I38 HydrophobicContact CG1-CD1 3.69Å; V13-I38 HydrophobicContact CG1-CG1 4.44Å; V13-V90 HydrophobicContact CG1-CB 4.46Å; V13-V90 HydrophobicContact CG1-CG2 3.97Å; V13-V98 HydrophobicContact CG2-CB 4.46Å; V13-V98 HydrophobicContact CG2-CG1 3.6Å; V13-Y100 HydrophobicContact CB-CD1 4.48Å; V13-H102 PolarHBondContact N-O 3.47Å; V13-L103 HydrophobicContact CB-CD1 4.1Å; V13-L103 HydrophobicContact CG1-CD1 3.96Å; V13-L103 CarbonylContact O-C 3.58Å; V13-L103 WeakPolarHBondContact O-CA 3.48Å; V13-I104 PolarHBondContact O-N 3.31Å
14	V	98.9	Very high	85.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.4	175.4	-175	0	0	0	0	108.2	V12 A24 L28 T36 L37 I38 I104	V12-V14 HydrophobicContact CG1-CG2 4.31Å; V14-A24 HydrophobicContact CG1-CB 4.46Å; V14-L28 HydrophobicContact CG2-CD1 3.7Å; V14-T36 PolarHBondContact N-O 2.86Å; V14-L37 HydrophobicContact CB-CD1 3.89Å; V14-L37 HydrophobicContact CG1-CD1 3.71Å; V14-I38 PolarHBondContact O-N 3.47Å; V14-I104 WeakPolarHBondContact CA-O 3.36Å; V14-I104 HydrophobicContact CG1-CB 4.45Å; V14-I104 HydrophobicContact CG2-CB 4.35Å; V14-I104 HydrophobicContact CG2-CD1 4.24Å
15	V	98.8	Very high	88.1	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.8	-178.7	-179.8	0	0	0	0	110.1	V13 V80 V90 L103 I104 L105 C106 T107	V13-V15 HydrophobicContact CG1-CG2 3.95Å; V15-V80 HydrophobicContact CG1-CB 3.9Å; V15-V80 HydrophobicContact CG1-CG1 4.17Å; V15-V80 HydrophobicContact CG1-CG2 3.7Å; V15-V80 HydrophobicContact CG2-CG2 4.24Å; V15-V90 HydrophobicContact CG2-CG1 4.12Å; V15-V90 HydrophobicContact CG2-CG2 4.21Å; V15-L103 HydrophobicContact CG2-CD1 3.77Å; V15-I104 PolarHBondContact N-O 2.89Å; V15-L105 HydrophobicContact CB-CD2 4.11Å; V15-L105 HydrophobicContact CG2-CD2 4.31Å; V15-C106 CarbonylContact O-C 3.57Å; V15-C106 VanDerWaalsContact O-CA 3.24Å; V15-C106 WeakPolarHBondContact O-CA 3.4Å; V15-C106 WeakPolarHBondContact O-CB 3.32Å; V15-C106 PolarHBondContact O-N 3.33Å; V15-T107 HydrophobicContact CG1-CG2 3.94Å; V15-T107 PolarHBondContact O-N 2.87Å
16	G	98.3	Very high	90.5	Very high	11 Å²	11	31.9 Å²	31.9	11%	0.113	19%	0.188	C	C	.	.			trans	97.8	115.9	-176.5	0	0	0	0	0	111.7	G21 I38 C106	G16-G21 VanDerWaalsContact O-CA 3.3Å; G16-G21 WeakPolarHBondContact O-CA 3.41Å; G16-I38 WeakPolarHBondContact CA-O 2.98Å; G16-I38 PolarHBondContact N-O 3.43Å; G16-C106 VanDerWaalsContact O-CB 3.26Å; G16-C106 WeakPolarHBondContact O-CB 3.21Å
17	G	97.4	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.			trans	-91.9	20	179.9	0	0	0	0	0	115	T22 D39 F44 Y67	G17-T22 PolarHBondContact O-OG1 2.68Å; G17-D39 VanDerWaalsContact CA-OD2 3.23Å; G17-D39 WeakPolarHBondContact CA-OD2 3.27Å; G17-D39 PolarHBondContact N-OD2 2.76Å; G17-F44 WeakPolarHBondContact O-CD2 3.35Å; G17-Y67 WeakPolarHBondContact CA-OH 3.34Å; G17-Y67 PolarHBondContact O-OH 3.02Å
18	G	97.3	Very high	95.1	Very high	22 Å²	22	26.5 Å²	26.5	23%	0.227	15%	0.148	C	C	.	.	S	Bend	trans	-61	-168.1	169.2	0	0	0	0	0	113.3	G20 G21 T22	G18-G20 VanDerWaalsContact C-N 3.28Å; G18-G20 PolarHBondContact O-N 3.46Å; G18-G20 VanDerWaalsContact O-N 3.15Å; G18-G21 PolarHBondContact O-N 2.99Å; G18-G21 VanDerWaalsContact O-N 3.17Å; G18-T22 WeakPolarHBondContact O-CB 3.49Å; G18-T22 PolarHBondContact O-N 2.75Å; G18-T22 PolarHBondContact O-OG1 2.81Å
19	F	98.2	Very high	97	Very high	39 Å²	39	25.4 Å²	25.4	17%	0.171	14%	0.137	C	C	.	.	H	α-helix	trans	-50.7	-44.7	-176.5	-77	-80.3	0	0	0	113.8	A23 F44 H46 N47 V48 A293 A296	F19-A23 VanDerWaalsContact O-CB 3.24Å; F19-A23 WeakPolarHBondContact O-CB 3.46Å; F19-A23 PolarHBondContact O-N 3.34Å; F19-A23 VanDerWaalsContact O-N 3.13Å; F19-F44 HydrophobicContact CD1-CE2 4.28Å; F19-F44 AromaticContact CD1-CZ 3.82Å; F19-F44 HydrophobicContact CD1-CZ 3.82Å; F19-F44 HydrophobicContact CD2-CZ 4.46Å; F19-F44 AromaticContact CE1-CZ 3.68Å; F19-F44 HydrophobicContact CE1-CZ 3.68Å; F19-F44 HydrophobicContact CE2-CZ 4.32Å; F19-F44 HydrophobicContact CG-CE2 4.3Å; F19-F44 HydrophobicContact CG-CZ 4.23Å; F19-F44 AromaticContact CZ-CZ 3.94Å; F19-F44 HydrophobicContact CZ-CZ 3.94Å; F19-H46 AromaticContact CE1-CE1 3.86Å; F19-H46 AromaticContact CE1-ND1 3.75Å; F19-H46 AromaticContact CZ-CE1 3.78Å; F19-H46 AromaticContact CZ-ND1 3.66Å; F19-N47 VanDerWaalsContact CE2-OD1 3.24Å; F19-N47 WeakPolarHBondContact CE2-OD1 3.48Å; F19-V48 HydrophobicContact CE2-CG2 3.76Å; F19-V48 HydrophobicContact CZ-CB 4.27Å; F19-V48 HydrophobicContact CZ-CG2 3.63Å; F19-A293 HydrophobicContact CB-CB 4.16Å; F19-A293 HydrophobicContact CD1-CB 3.67Å; F19-A293 HydrophobicContact CD2-CB 3.39Å; F19-A293 HydrophobicContact CE1-CB 3.78Å; F19-A293 HydrophobicContact CE2-CB 3.51Å; F19-A293 HydrophobicContact CG-CB 3.46Å; F19-A293 VanDerWaalsContact CG-CB 3.46Å; F19-A293 HydrophobicContact CZ-CB 3.71Å; F19-A296 HydrophobicContact CB-CB 4.14Å
20	G	98.3	Very high	97.9	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-49.6	178.1	0	0	0	0	0	113.3	G18 A23 A24 A296 A300	G18-G20 VanDerWaalsContact C-N 3.28Å; G18-G20 PolarHBondContact O-N 3.46Å; G18-G20 VanDerWaalsContact O-N 3.15Å; G20-A23 PolarHBondContact O-N 2.9Å; G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 3.15Å; G20-A296 WeakPolarHBondContact CA-O 3.23Å; G20-A300 VanDerWaalsContact O-CB 3.25Å; G20-A300 WeakPolarHBondContact O-CB 3.19Å
21	G	98.5	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-37.2	-177.6	0	0	0	0	0	113.7	G16 G18 A24 A25 C106	G16-G21 VanDerWaalsContact O-CA 3.3Å; G16-G21 WeakPolarHBondContact O-CA 3.41Å; G18-G21 PolarHBondContact O-N 2.99Å; G18-G21 VanDerWaalsContact O-N 3.17Å; G21-A24 PolarHBondContact O-N 3.42Å; G21-A25 VanDerWaalsContact O-CB 3.26Å; G21-A25 WeakPolarHBondContact O-CB 3.49Å; G21-A25 PolarHBondContact O-N 2.95Å; G21-C106 VanDerWaalsContact CA-SG 3.58Å; G21-C106 PolarHBondContact N-SG 3.2Å; G21-C106 VanDerWaalsContact N-SG 3.45Å
22	T	98.4	Very high	97.9	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-44.1	172	-72.9	0	0	0	0	111	G17 G18 A25 Q26 F71 M366	G17-T22 PolarHBondContact O-OG1 2.68Å; G18-T22 WeakPolarHBondContact O-CB 3.49Å; G18-T22 PolarHBondContact O-N 2.75Å; G18-T22 PolarHBondContact O-OG1 2.81Å; T22-A25 PolarHBondContact O-N 3.34Å; T22-Q26 WeakPolarHBondContact O-CB 3.11Å; T22-Q26 VanDerWaalsContact O-CG 3.31Å; T22-Q26 WeakPolarHBondContact O-CG 3.5Å; T22-Q26 PolarHBondContact O-N 3Å; T22-F71 HydrophobicContact CG2-CZ 4.36Å; T22-M366 HydrophobicContact CG2-CG 4.33Å; T22-M366 HydrophobicContact CG2-SD 3.38Å; T22-M366 WeakPolarHBondContact CG2-SD 3.42Å
23	A	98.6	Very high	97.8	Very high	17 Å²	17	28.4 Å²	28.4	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-39.1	176.3	0	0	0	0	0	112.4	F19 G20 Q27 A300	F19-A23 VanDerWaalsContact O-CB 3.24Å; F19-A23 WeakPolarHBondContact O-CB 3.46Å; F19-A23 PolarHBondContact O-N 3.34Å; F19-A23 VanDerWaalsContact O-N 3.13Å; G20-A23 PolarHBondContact O-N 2.9Å; A23-Q27 WeakPolarHBondContact O-CG 3.36Å; A23-Q27 PolarHBondContact O-N 3.47Å; A23-Q27 PolarHBondContact O-NE2 2.76Å; A23-A300 HydrophobicContact CB-CB 3.82Å
24	A	98.8	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-49.6	175.9	0	0	0	0	0	111.2	V14 G20 G21 Q26 Q27 L28 I104 A300 V304	V14-A24 HydrophobicContact CG1-CB 4.46Å; G20-A24 WeakPolarHBondContact O-CB 3.23Å; G20-A24 PolarHBondContact O-N 3.15Å; G21-A24 PolarHBondContact O-N 3.42Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; A24-Q26 PolarHBondContact O-N 3.39Å; A24-Q27 PolarHBondContact O-N 2.81Å; A24-Q27 VanDerWaalsContact O-N 3.13Å; A24-L28 VanDerWaalsContact O-CG 3.29Å; A24-L28 WeakPolarHBondContact O-CG 3.49Å; A24-L28 PolarHBondContact O-N 3.12Å; A24-I104 HydrophobicContact CB-CD1 3.99Å; A24-A300 HydrophobicContact CB-CB 4.01Å; A24-V304 HydrophobicContact CB-CG2 3.98Å
25	A	98.7	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-40.7	178.8	0	0	0	0	0	112.4	G21 T22 L28 K29 F35 L37 F71	G21-A25 VanDerWaalsContact O-CB 3.26Å; G21-A25 WeakPolarHBondContact O-CB 3.49Å; G21-A25 PolarHBondContact O-N 2.95Å; T22-A25 PolarHBondContact O-N 3.34Å; A25-L28 PolarHBondContact O-N 2.83Å; A25-K29 VanDerWaalsContact O-CB 3.28Å; A25-K29 WeakPolarHBondContact O-CB 3.25Å; A25-K29 PolarHBondContact O-N 2.85Å; A25-F35 HydrophobicContact CB-CD2 4.27Å; A25-F35 HydrophobicContact CB-CE2 3.71Å; A25-F35 HydrophobicContact CB-CZ 4.34Å; A25-L37 HydrophobicContact CB-CB 4.38Å; A25-L37 HydrophobicContact CB-CD1 4.49Å; A25-L37 HydrophobicContact CB-CD2 4.15Å; A25-F71 HydrophobicContact CB-CD1 4.21Å; A25-F71 HydrophobicContact CB-CE1 3.57Å; A25-F71 HydrophobicContact CB-CE2 4.42Å; A25-F71 HydrophobicContact CB-CZ 3.7Å
26	Q	98.3	Very high	97.7	Very high	39 Å²	39	31.6 Å²	31.6	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174.5	-76	172.6	10.9	0	0	112.3	T22 A24 K29 S30 F71 E365	T22-Q26 WeakPolarHBondContact O-CB 3.11Å; T22-Q26 VanDerWaalsContact O-CG 3.31Å; T22-Q26 WeakPolarHBondContact O-CG 3.5Å; T22-Q26 PolarHBondContact O-N 3Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; A24-Q26 PolarHBondContact O-N 3.39Å; Q26-K29 PolarHBondContact O-N 3.08Å; Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.22Å; Q26-F71 HydrophobicContact CG-CE1 4.09Å; Q26-F71 HydrophobicContact CG-CZ 4.1Å; Q26-E365 PolarHBondContact NE2-O 3.25Å
27	Q	98.1	Very high	97.7	Very high	48 Å²	48	31.1 Å²	31.1	22%	0.224	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-43.6	177.7	-72.4	-179.3	71	0	0	112	A23 A24 K29 S30 R31 V304	A23-Q27 WeakPolarHBondContact O-CG 3.36Å; A23-Q27 PolarHBondContact O-N 3.47Å; A23-Q27 PolarHBondContact O-NE2 2.76Å; A24-Q27 PolarHBondContact O-N 2.81Å; A24-Q27 VanDerWaalsContact O-N 3.13Å; Q27-K29 PolarHBondContact O-N 3.28Å; Q27-S30 WeakPolarHBondContact CA-OG 3.37Å; Q27-S30 PolarHBondContact O-N 2.93Å; Q27-S30 PolarHBondContact O-OG 2.77Å; Q27-R31 WeakPolarHBondContact O-CG 3.42Å; Q27-R31 PolarHBondContact O-N 3.16Å; Q27-V304 HydrophobicContact CB-CB 4.27Å; Q27-V304 HydrophobicContact CB-CG1 3.9Å; Q27-V304 HydrophobicContact CB-CG2 4.27Å
28	L	98.3	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-48.2	174.4	-69.1	165.6	0	0	0	110.9	V12 V14 A24 A25 S30 R31 G32 I33 F35 I104 V304	V12-L28 HydrophobicContact CB-CD1 4.09Å; V12-L28 HydrophobicContact CB-CD2 4.2Å; V12-L28 HydrophobicContact CG1-CD1 3.75Å; V12-L28 HydrophobicContact CG1-CD2 4.24Å; V12-L28 HydrophobicContact CG2-CD2 3.93Å; V14-L28 HydrophobicContact CG2-CD1 3.7Å; A24-L28 VanDerWaalsContact O-CG 3.29Å; A24-L28 WeakPolarHBondContact O-CG 3.49Å; A24-L28 PolarHBondContact O-N 3.12Å; A25-L28 PolarHBondContact O-N 2.83Å; L28-S30 PolarHBondContact O-N 3.49Å; L28-R31 CarbonylContact O-C 3.6Å; L28-R31 PolarHBondContact O-N 3.35Å; L28-G32 PolarHBondContact O-N 3.04Å; L28-I33 HydrophobicContact CD2-CB 3.91Å; L28-I33 HydrophobicContact CD2-CD1 4.08Å; L28-I33 HydrophobicContact CD2-CG2 3.79Å; L28-I33 PolarHBondContact O-N 3.44Å; L28-F35 HydrophobicContact CB-CB 4.26Å; L28-F35 HydrophobicContact CB-CD1 3.83Å; L28-F35 HydrophobicContact CB-CE1 4.37Å; L28-F35 HydrophobicContact CB-CG 4.02Å; L28-F35 HydrophobicContact CD1-CB 3.86Å; L28-F35 HydrophobicContact CD1-CG 4.16Å; L28-I104 HydrophobicContact CD1-CD1 4.45Å; L28-V304 HydrophobicContact CD2-CG1 3.99Å; L28-V304 HydrophobicContact CD2-CG2 4.24Å; L28-V304 HydrophobicContact CG-CG1 4.27Å; L28-V304 HydrophobicContact CG-CG2 4.02Å
29	K	97.3	Very high	97.8	Very high	113 Å²	113	30.4 Å²	30.4	49%	0.491	17%	0.172	S	C	.	.	H	α-helix	trans	-56.4	-47.3	174	-173.9	-179.4	-178.9	-176.3	0	112	A25 Q26 Q27 R31 G32 F35 T70	A25-K29 VanDerWaalsContact O-CB 3.28Å; A25-K29 WeakPolarHBondContact O-CB 3.25Å; A25-K29 PolarHBondContact O-N 2.85Å; Q26-K29 PolarHBondContact O-N 3.08Å; Q27-K29 PolarHBondContact O-N 3.28Å; K29-R31 PolarHBondContact O-N 3.43Å; K29-G32 PolarHBondContact O-N 3.02Å; K29-F35 HydrophobicContact CB-CE1 3.81Å; K29-F35 HydrophobicContact CB-CZ 4.1Å; K29-T70 PolarHBondContact NZ-O 3.15Å
30	S	96	Very high	97.7	Very high	96 Å²	96	30 Å²	30	67%	0.671	17%	0.172	S	C	*	.	H	α-helix	trans	-65.1	-28	-179.4	75.2	0	0	0	0	113.7	Q26 Q27 L28	Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.22Å; Q27-S30 WeakPolarHBondContact CA-OG 3.37Å; Q27-S30 PolarHBondContact O-N 2.93Å; Q27-S30 PolarHBondContact O-OG 2.77Å; L28-S30 PolarHBondContact O-N 3.49Å
31	R	95.2	Very high	97.5	Very high	113 Å²	113	30.8 Å²	30.8	43%	0.426	17%	0.173	S	C	.	.	H	α-helix	trans	-91.2	-4.3	178.5	-66.4	179.1	-173.2	-146.1	2.3	113	Q27 L28 K29 I33 T308	Q27-R31 WeakPolarHBondContact O-CG 3.42Å; Q27-R31 PolarHBondContact O-N 3.16Å; L28-R31 CarbonylContact O-C 3.6Å; L28-R31 PolarHBondContact O-N 3.35Å; K29-R31 PolarHBondContact O-N 3.43Å; R31-I33 VanDerWaalsContact C-N 3.26Å; R31-I33 HydrophobicContact CB-CD1 3.97Å; R31-I33 HydrophobicContact CB-CG1 4Å; R31-I33 PolarHBondContact O-N 2.87Å; R31-T308 PolarHBondContact NH1-OG1 3.29Å
32	G	95	Very high	97.5	Very high	59 Å²	59	32 Å²	32	61%	0.608	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	25.5	-176.5	0	0	0	0	0	113.9	L28 K29	L28-G32 PolarHBondContact O-N 3.04Å; K29-G32 PolarHBondContact O-N 3.02Å
33	I	96.3	Very high	97.4	Very high	22 Å²	22	31.8 Å²	31.8	11%	0.113	18%	0.178	C	C	.	.			trans	-84.4	125.9	177.4	-62.9	172	0	0	0	108	V10 V12 L28 R31 F35	V10-I33 HydrophobicContact CG1-CG2 4.1Å; V12-I33 HydrophobicContact CG2-CG2 3.7Å; L28-I33 HydrophobicContact CD2-CB 3.91Å; L28-I33 HydrophobicContact CD2-CD1 4.08Å; L28-I33 HydrophobicContact CD2-CG2 3.79Å; L28-I33 PolarHBondContact O-N 3.44Å; R31-I33 VanDerWaalsContact C-N 3.26Å; R31-I33 HydrophobicContact CB-CD1 3.97Å; R31-I33 HydrophobicContact CB-CG1 4Å; R31-I33 PolarHBondContact O-N 2.87Å; I33-F35 WeakPolarHBondContact O-CD1 3.42Å; I33-F35 PolarHBondContact O-N 2.95Å
34	P	97.6	Very high	97.4	Very high	48 Å²	48	31.1 Å²	31.1	31%	0.312	17%	0.172	S	C	.	.			trans	-61.1	131.5	178.8	-22.3	32.9	0	0	0	111.7	V7 V10 V12	V7-P34 VanDerWaalsContact CG1-CD 3.45Å; V7-P34 HydrophobicContact CG1-CG 3.6Å; V10-P34 WeakPolarHBondContact O-CB 3.43Å; V10-P34 WeakPolarHBondContact O-CG 3.38Å; V12-P34 PolarHBondContact N-O 2.64Å
35	F	98.6	Very high	97.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	-176.8	74.7	-81	0	0	0	113.6	H11 V12 A25 L28 K29 I33 L37 F71 N74	H11-F35 VanDerWaalsContact CE1-C 3.48Å; V12-F35 HydrophobicContact CB-CB 4.16Å; V12-F35 CarbonylContact O-C 3.51Å; V12-F35 WeakPolarHBondContact O-CA 3.07Å; V12-F35 VanDerWaalsContact O-CB 3.26Å; V12-F35 WeakPolarHBondContact O-CB 3.46Å; A25-F35 HydrophobicContact CB-CD2 4.27Å; A25-F35 HydrophobicContact CB-CE2 3.71Å; A25-F35 HydrophobicContact CB-CZ 4.34Å; L28-F35 HydrophobicContact CB-CB 4.26Å; L28-F35 HydrophobicContact CB-CD1 3.83Å; L28-F35 HydrophobicContact CB-CE1 4.37Å; L28-F35 HydrophobicContact CB-CG 4.02Å; L28-F35 HydrophobicContact CD1-CB 3.86Å; L28-F35 HydrophobicContact CD1-CG 4.16Å; K29-F35 HydrophobicContact CB-CE1 3.81Å; K29-F35 HydrophobicContact CB-CZ 4.1Å; I33-F35 WeakPolarHBondContact O-CD1 3.42Å; I33-F35 PolarHBondContact O-N 2.95Å; F35-L37 HydrophobicContact CD2-CB 4.48Å; F35-L37 HydrophobicContact CE2-CB 4.28Å; F35-F71 HydrophobicContact CE2-CD1 4.26Å; F35-F71 AromaticContact CZ-CD1 3.99Å; F35-F71 HydrophobicContact CZ-CD1 3.99Å; F35-N74 HydrophobicContact CD1-CB 4.38Å; F35-N74 HydrophobicContact CD2-CB 4.12Å; F35-N74 HydrophobicContact CE1-CB 3.91Å; F35-N74 HydrophobicContact CE2-CB 3.6Å; F35-N74 HydrophobicContact CG-CB 4.49Å; F35-N74 HydrophobicContact CZ-CB 3.48Å; F35-N74 VanDerWaalsContact CZ-CB 3.48Å; F35-N74 PolarHBondContact O-OD1 3.29Å
36	T	98.8	Very high	97.3	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121	165.3	-58.8	0	0	0	0	109.2	H11 V12 V14 I38 N74 L76	H11-T36 PolarHBondContact CE1-OG1 3.44Å; H11-T36 PolarHBondContact NE2-OG1 2.96Å; V12-T36 PolarHBondContact O-N 3.43Å; V14-T36 PolarHBondContact N-O 2.86Å; T36-I38 HydrophobicContact CG2-CD1 4.45Å; T36-I38 HydrophobicContact CG2-CG1 3.84Å; T36-N74 CarbonylContact C-O 3.57Å; T36-N74 WeakPolarHBondContact CA-O 3.29Å; T36-L76 HydrophobicContact CG2-CB 3.89Å; T36-L76 HydrophobicContact CG2-CD2 4.45Å
37	L	98.9	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.3	167.6	176.5	64.9	0	0	0	109.6	V14 A25 F35 Y67 F71 N74 F75 L76	V14-L37 HydrophobicContact CB-CD1 3.89Å; V14-L37 HydrophobicContact CG1-CD1 3.71Å; A25-L37 HydrophobicContact CB-CB 4.38Å; A25-L37 HydrophobicContact CB-CD1 4.49Å; A25-L37 HydrophobicContact CB-CD2 4.15Å; F35-L37 HydrophobicContact CD2-CB 4.48Å; F35-L37 HydrophobicContact CE2-CB 4.28Å; L37-Y67 HydrophobicContact CD2-CD1 4.06Å; L37-Y67 HydrophobicContact CD2-CE1 4.16Å; L37-F71 HydrophobicContact CD2-CD2 3.62Å; L37-F71 HydrophobicContact CD2-CE2 3.53Å; L37-F71 HydrophobicContact CD2-CG 4.4Å; L37-F71 HydrophobicContact CD2-CZ 4.26Å; L37-N74 PolarHBondContact N-O 2.82Å; L37-F75 HydrophobicContact CD2-CD2 4.42Å; L37-F75 HydrophobicContact CG-CD2 4.37Å; L37-F75 WeakPolarHBondContact O-CA 3.5Å; L37-F75 WeakPolarHBondContact O-CD2 3.42Å; L37-L76 PolarHBondContact O-N 3.41Å
38	I	98.6	Very high	97.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	178.3	-49.8	170	0	0	0	109.2	V13 V14 G16 T36 L76 V80 V90 L92 V98	V13-I38 HydrophobicContact CG1-CD1 3.69Å; V13-I38 HydrophobicContact CG1-CG1 4.44Å; V14-I38 PolarHBondContact O-N 3.47Å; G16-I38 WeakPolarHBondContact CA-O 2.98Å; G16-I38 PolarHBondContact N-O 3.43Å; T36-I38 HydrophobicContact CG2-CD1 4.45Å; T36-I38 HydrophobicContact CG2-CG1 3.84Å; I38-L76 VanDerWaalsContact CA-O 3.32Å; I38-L76 WeakPolarHBondContact CA-O 3.44Å; I38-L76 HydrophobicContact CG1-CB 4.32Å; I38-L76 HydrophobicContact CG1-CD2 4.38Å; I38-V80 HydrophobicContact CB-CG2 4.2Å; I38-V80 HydrophobicContact CD1-CG2 4.31Å; I38-V80 HydrophobicContact CG2-CG2 3.59Å; I38-V90 HydrophobicContact CD1-CG1 4.16Å; I38-L92 HydrophobicContact CD1-CD1 4.11Å; I38-L92 HydrophobicContact CG2-CD2 3.95Å; I38-L92 HydrophobicContact CG2-CG 4.25Å; I38-V98 HydrophobicContact CD1-CG2 4.26Å
39	D	97.8	Very high	97.1	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.5	171.6	-166.6	-70.8	0	0	0	109.7	G17 R41 Y67 F75 L76 Q77 G78	G17-D39 VanDerWaalsContact CA-OD2 3.23Å; G17-D39 WeakPolarHBondContact CA-OD2 3.27Å; G17-D39 PolarHBondContact N-OD2 2.76Å; D39-R41 PolarHBondContact O-N 2.99Å; D39-R41 WeakPolarHBondContact OD1-CB 3.47Å; D39-R41 IonicContact OD1-CZ 3.99Å; D39-R41 PolarHBondContact OD1-N 2.63Å; D39-R41 IonicContact OD1-NE 3.29Å; D39-R41 PolarHBondContact OD1-NE 3.26Å; D39-R41 IonicContact OD1-NH2 3.22Å; D39-R41 IonicContact OD2-CZ 3.2Å; D39-R41 IonicContact OD2-NE 2.83Å; D39-R41 IonicContact OD2-NH2 3.9Å; D39-R41 PolarHBondContact OD2-NH2 2.67Å; D39-Y67 HydrophobicContact CB-CE2 3.8Å; D39-Y67 PolarHBondContact OD2-OH 3.38Å; D39-F75 HydrophobicContact CB-CE2 4.3Å; D39-L76 PolarHBondContact N-O 3.39Å; D39-Q77 CarbonylContact O-C 3.48Å; D39-Q77 WeakPolarHBondContact O-CA 3.42Å; D39-G78 CarbonylContact C-O 3.56Å; D39-G78 VanDerWaalsContact C-O 3.26Å; D39-G78 PolarHBondContact O-N 2.89Å
40	L	94.9	Very high	97.1	Very high	30 Å²	30	25.5 Å²	25.5	16%	0.157	15%	0.152	C	C	.	.	S	Bend	trans	-67.2	-25.6	178.2	71.2	92.9	0	0	0	112.4	Q77 G78 N118 M119 V120	L40-Q77 PolarHBondContact O-NE2 3.07Å; L40-G78 WeakPolarHBondContact CA-O 2.81Å; L40-G78 PolarHBondContact N-O 2.85Å; L40-N118 VanDerWaalsContact CD1-C 3.49Å; L40-N118 HydrophobicContact CD2-CB 4.42Å; L40-M119 WeakPolarHBondContact CD1-O 3.46Å; L40-V120 HydrophobicContact CB-CG2 4.05Å; L40-V120 HydrophobicContact CD1-CG2 4.38Å
41	R	95.7	Very high	97.2	Very high	23 Å²	23	21.5 Å²	21.5	9%	0.087	12%	0.122	C	C	.	.	S	Bend	trans	-94.2	153.4	176.6	-59	160.5	-66.6	-170.3	8.2	110.3	D39 A43 Y67 F75	D39-R41 PolarHBondContact O-N 2.99Å; D39-R41 WeakPolarHBondContact OD1-CB 3.47Å; D39-R41 IonicContact OD1-CZ 3.99Å; D39-R41 PolarHBondContact OD1-N 2.63Å; D39-R41 IonicContact OD1-NE 3.29Å; D39-R41 PolarHBondContact OD1-NE 3.26Å; D39-R41 IonicContact OD1-NH2 3.22Å; D39-R41 IonicContact OD2-CZ 3.2Å; D39-R41 IonicContact OD2-NE 2.83Å; D39-R41 IonicContact OD2-NH2 3.9Å; D39-R41 PolarHBondContact OD2-NH2 2.67Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-Y67 WeakPolarHBondContact O-CE2 3.23Å; R41-F75 WeakPolarHBondContact O-CZ 3Å
42	D	96.9	Very high	97.4	Very high	26 Å²	26	16.2 Å²	16.2	14%	0.139	10%	0.103	C	C	.	.	S	Bend	trans	-84.5	-3.9	172.5	63.2	-8.1	0	0	0	113.9	Y67 S122 Y123	D42-Y67 VanDerWaalsContact C-CD2 3.42Å; D42-Y67 WeakPolarHBondContact O-CD2 3.43Å; D42-Y67 PolarHBondContact O-N 3.27Å; D42-S122 VanDerWaalsContact OD2-CA 3.29Å; D42-S122 WeakPolarHBondContact OD2-CA 3.38Å; D42-Y123 WeakPolarHBondContact OD1-CB 3.49Å; D42-Y123 PolarHBondContact OD1-N 2.92Å; D42-Y123 PolarHBondContact OD2-N 3.03Å
43	A	97.8	Very high	97.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.2	178.1	0	0	0	0	0	113.1	R41 H45 F64 I65 Y67 Y123	R41-A43 VanDerWaalsContact C-N 3.32Å; A43-H45 PolarHBondContact O-N 3.34Å; A43-F64 HydrophobicContact CB-CB 4.28Å; A43-F64 HydrophobicContact CB-CD1 4.31Å; A43-I65 CarbonylContact C-O 3.54Å; A43-I65 WeakPolarHBondContact CA-O 3.29Å; A43-I65 WeakPolarHBondContact CB-O 3.09Å; A43-Y67 VanDerWaalsContact O-CE2 3.29Å; A43-Y67 WeakPolarHBondContact O-CE2 3.3Å; A43-Y67 PolarHBondContact O-OH 3.32Å; A43-Y123 HydrophobicContact CB-CD1 4.19Å; A43-Y123 HydrophobicContact CB-CG 3.95Å
44	F	97.9	Very high	97.6	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.013	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	125.8	164.1	171.5	-106	0	0	0	108.9	G17 F19 H46 F64 I65 Y67 M366	G17-F44 WeakPolarHBondContact O-CD2 3.35Å; F19-F44 HydrophobicContact CD1-CE2 4.28Å; F19-F44 AromaticContact CD1-CZ 3.82Å; F19-F44 HydrophobicContact CD1-CZ 3.82Å; F19-F44 HydrophobicContact CD2-CZ 4.46Å; F19-F44 AromaticContact CE1-CZ 3.68Å; F19-F44 HydrophobicContact CE1-CZ 3.68Å; F19-F44 HydrophobicContact CE2-CZ 4.32Å; F19-F44 HydrophobicContact CG-CE2 4.3Å; F19-F44 HydrophobicContact CG-CZ 4.23Å; F19-F44 AromaticContact CZ-CZ 3.94Å; F19-F44 HydrophobicContact CZ-CZ 3.94Å; F44-H46 HydrophobicContact CD1-CB 4.43Å; F44-H46 HydrophobicContact CE1-CB 3.69Å; F44-H46 AromaticContact CE1-ND1 3.94Å; F44-H46 HydrophobicContact CZ-CB 4.31Å; F44-F64 CarbonylContact O-C 3.58Å; F44-F64 VanDerWaalsContact O-CA 3.3Å; F44-F64 WeakPolarHBondContact O-CA 3.39Å; F44-I65 HydrophobicContact CB-CB 4.29Å; F44-I65 HydrophobicContact CD1-CB 4.37Å; F44-I65 HydrophobicContact CD1-CD1 3.96Å; F44-I65 HydrophobicContact CD1-CG1 4.21Å; F44-I65 HydrophobicContact CE1-CD1 4.47Å; F44-I65 PolarHBondContact N-O 2.98Å; F44-I65 PolarHBondContact O-N 3.23Å; F44-Y67 VanDerWaalsContact CA-CZ 3.44Å; F44-Y67 WeakPolarHBondContact CA-OH 3.3Å; F44-Y67 HydrophobicContact CB-CD1 4.29Å; F44-Y67 HydrophobicContact CB-CE1 3.59Å; F44-M366 HydrophobicContact CB-CE 4.2Å
45	H	97.5	Very high	97.7	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.009	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.9	171.8	179.9	-151.9	0	0	0	109.4	A43 N47 T63 F64 Y130	A43-H45 PolarHBondContact O-N 3.34Å; H45-N47 PolarHBondContact O-N 3.22Å; H45-T63 WeakPolarHBondContact CA-O 3.11Å; H45-F64 HydrophobicContact CB-CD1 3.98Å; H45-F64 HydrophobicContact CB-CE1 3.63Å; H45-F64 HydrophobicContact CB-CZ 4.31Å; H45-F64 AromaticContact CD2-CE1 3.73Å; H45-F64 AromaticContact CD2-CE2 3.91Å; H45-F64 AromaticContact CD2-CZ 3.54Å; H45-F64 AromaticContact CG-CE1 3.6Å; H45-F64 AromaticContact CG-CZ 3.76Å; H45-F64 AromaticContact NE2-CZ 3.92Å; H45-Y130 AromaticContact CE1-CZ 3.96Å; H45-Y130 PolarHBondContact CE1-OH 3.47Å
46	H	97.6	Very high	97.6	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	7%	0.067	C	C	.	.			trans	-71.8	72.8	170.8	-167.5	95.5	0	0	0	110	F19 F44 V48 A49 T63 L357 L359 S362	F19-H46 AromaticContact CE1-CE1 3.86Å; F19-H46 AromaticContact CE1-ND1 3.75Å; F19-H46 AromaticContact CZ-CE1 3.78Å; F19-H46 AromaticContact CZ-ND1 3.66Å; F44-H46 HydrophobicContact CD1-CB 4.43Å; F44-H46 HydrophobicContact CE1-CB 3.69Å; F44-H46 AromaticContact CE1-ND1 3.94Å; F44-H46 HydrophobicContact CZ-CB 4.31Å; H46-V48 PolarHBondContact O-N 3.47Å; H46-V48 VanDerWaalsContact O-N 3.08Å; H46-A49 PolarHBondContact O-N 3.42Å; H46-T63 PolarHBondContact N-O 3.42Å; H46-L357 PolarHBondContact NE2-O 2.92Å; H46-L359 HydrophobicContact CB-CD2 3.84Å; H46-S362 PolarHBondContact CE1-OG 3.44Å; H46-S362 PolarHBondContact ND1-OG 2.87Å
47	N	95.7	Very high	97.6	Very high	41 Å²	41	15.4 Å²	15.4	22%	0.219	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-70.1	-8.2	-171	74.1	-46.7	0	0	0	114	F19 H45 A49 A50 K116	F19-N47 VanDerWaalsContact CE2-OD1 3.24Å; F19-N47 WeakPolarHBondContact CE2-OD1 3.48Å; H45-N47 PolarHBondContact O-N 3.22Å; N47-A49 PolarHBondContact O-N 3.37Å; N47-A50 HydrophobicContact CB-CB 4.42Å; N47-A50 VanDerWaalsContact O-CB 3.27Å; N47-A50 WeakPolarHBondContact O-CB 3.46Å; N47-A50 PolarHBondContact O-N 3.26Å; N47-K116 PolarHBondContact ND2-NZ 2.82Å
48	V	96.8	Very high	97.5	Very high	37 Å²	37	17 Å²	17	22%	0.224	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-61.3	-23.3	166.1	171	0	0	0	0	111.5	F19 H46 A293	F19-V48 HydrophobicContact CE2-CG2 3.76Å; F19-V48 HydrophobicContact CZ-CB 4.27Å; F19-V48 HydrophobicContact CZ-CG2 3.63Å; H46-V48 PolarHBondContact O-N 3.47Å; H46-V48 VanDerWaalsContact O-N 3.08Å; V48-A293 HydrophobicContact CG2-CB 4.03Å
49	A	97.7	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-106.8	8.1	178.3	0	0	0	0	0	114.6	H46 N47 L51 R52 A53 F59 T63 L357 L359	H46-A49 PolarHBondContact O-N 3.42Å; N47-A49 PolarHBondContact O-N 3.37Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.05Å; A49-R52 PolarHBondContact O-N 3.2Å; A49-A53 PolarHBondContact O-N 3.33Å; A49-A53 VanDerWaalsContact O-N 3.08Å; A49-F59 HydrophobicContact CB-CE1 3.9Å; A49-F59 HydrophobicContact CB-CZ 4.41Å; A49-T63 HydrophobicContact CB-CG2 3.92Å; A49-L357 HydrophobicContact CB-CB 3.78Å; A49-L357 HydrophobicContact CB-CD1 3.68Å; A49-L357 HydrophobicContact CB-CG 4.36Å; A49-L359 HydrophobicContact CB-CD1 4.24Å; A49-L359 HydrophobicContact CB-CD2 4Å; A49-L359 HydrophobicContact CB-CG 4.17Å
50	A	97.8	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-36.6	-177.6	0	0	0	0	0	113.4	N47 A53 A54 P114 Y130	N47-A50 HydrophobicContact CB-CB 4.42Å; N47-A50 VanDerWaalsContact O-CB 3.27Å; N47-A50 WeakPolarHBondContact O-CB 3.46Å; N47-A50 PolarHBondContact O-N 3.26Å; A50-A53 WeakPolarHBondContact O-CB 3.49Å; A50-A53 PolarHBondContact O-N 3.03Å; A50-A54 PolarHBondContact O-N 2.96Å; A50-A54 VanDerWaalsContact O-N 3.07Å; A50-P114 WeakPolarHBondContact CB-O 3.23Å; A50-Y130 HydrophobicContact CB-CE1 4.26Å; A50-Y130 WeakPolarHBondContact CB-OH 3.3Å; A50-Y130 WeakPolarHBondContact O-CE1 3.25Å
51	L	98.4	Very high	97.6	Very high	11 Å²	11	21.2 Å²	21.2	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-178.5	-55.4	-179	0	0	0	111.5	A49 A54 P114 T151 E154 M155 E158	A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.05Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-P114 HydrophobicContact CD2-CG 4.33Å; L51-T151 HydrophobicContact CD1-CG2 4.1Å; L51-T151 VanDerWaalsContact CD1-O 3.27Å; L51-T151 WeakPolarHBondContact CD1-O 3.34Å; L51-T151 HydrophobicContact CD2-CG2 4.01Å; L51-E154 HydrophobicContact CD1-CB 3.6Å; L51-M155 HydrophobicContact CB-SD 3.84Å; L51-M155 HydrophobicContact CD1-CB 4.21Å; L51-M155 HydrophobicContact CD2-CB 4.36Å; L51-M155 HydrophobicContact CD2-SD 3.75Å; L51-M155 HydrophobicContact CG-SD 4.28Å; L51-E158 HydrophobicContact CB-CG 4.38Å
52	R	98.5	Very high	97.6	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-39.5	172.7	-169.4	167.7	-60.4	150.3	11	112.1	A49 A54 V55 Q56 F59 E158 S354 K355 L357	A49-R52 PolarHBondContact O-N 3.2Å; R52-A54 PolarHBondContact O-N 3.34Å; R52-A54 VanDerWaalsContact O-N 3.15Å; R52-V55 WeakPolarHBondContact O-CG2 3.34Å; R52-V55 PolarHBondContact O-N 2.9Å; R52-V55 VanDerWaalsContact O-N 3.08Å; R52-Q56 HydrophobicContact CG-CB 4.29Å; R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.34Å; R52-F59 HydrophobicContact CB-CD1 4.14Å; R52-F59 HydrophobicContact CB-CE1 3.82Å; R52-F59 HydrophobicContact CB-CZ 4.02Å; R52-F59 HydrophobicContact CG-CD1 4.09Å; R52-F59 HydrophobicContact CG-CD2 3.99Å; R52-F59 HydrophobicContact CG-CE1 3.98Å; R52-F59 HydrophobicContact CG-CE2 3.83Å; R52-F59 HydrophobicContact CG-CG 4.12Å; R52-F59 HydrophobicContact CG-CZ 3.86Å; R52-E158 IonicContact CZ-OE1 3.43Å; R52-E158 IonicContact CZ-OE2 3.63Å; R52-E158 IonicContact NE-OE1 3.34Å; R52-E158 PolarHBondContact NE-OE1 3.07Å; R52-E158 IonicContact NE-OE2 2.83Å; R52-E158 PolarHBondContact NE-OE2 3.46Å; R52-E158 IonicContact NH2-OE1 3.39Å; R52-E158 PolarHBondContact NH2-OE1 3.4Å; R52-E158 IonicContact NH2-OE2 3.12Å; R52-S354 PolarHBondContact NH1-O 2.91Å; R52-S354 PolarHBondContact NH2-O 2.91Å; R52-K355 PolarHBondContact NH1-O 2.93Å; R52-K355 VanDerWaalsContact NH1-O 3.15Å; R52-L357 HydrophobicContact CB-CD1 3.79Å
53	A	98.4	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.3	-23.3	173.3	0	0	0	0	0	113.4	A49 A50 F59 A60 T63 Y130 V134	A49-A53 PolarHBondContact O-N 3.33Å; A49-A53 VanDerWaalsContact O-N 3.08Å; A50-A53 WeakPolarHBondContact O-CB 3.49Å; A50-A53 PolarHBondContact O-N 3.03Å; A53-F59 HydrophobicContact CB-CD1 3.97Å; A53-A60 HydrophobicContact CB-CB 4.04Å; A53-T63 HydrophobicContact CB-CG2 4.11Å; A53-Y130 HydrophobicContact CB-CD1 3.71Å; A53-Y130 HydrophobicContact CB-CE1 4.07Å; A53-Y130 HydrophobicContact CB-CG 4.1Å; A53-V134 WeakPolarHBondContact O-CG2 3.27Å
54	A	98.4	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.9	178.4	0	0	0	0	0	114.5	A50 L51 R52 P114 Y130 I133 M155	A50-A54 PolarHBondContact O-N 2.96Å; A50-A54 VanDerWaalsContact O-N 3.07Å; L51-A54 PolarHBondContact O-N 2.88Å; R52-A54 PolarHBondContact O-N 3.34Å; R52-A54 VanDerWaalsContact O-N 3.15Å; A54-P114 HydrophobicContact CB-CB 3.44Å; A54-P114 VanDerWaalsContact CB-CB 3.44Å; A54-P114 HydrophobicContact CB-CG 3.68Å; A54-Y130 HydrophobicContact CB-CD1 4.18Å; A54-Y130 HydrophobicContact CB-CE1 4.33Å; A54-I133 HydrophobicContact CB-CG1 4.47Å; A54-I133 HydrophobicContact CB-CG2 3.9Å; A54-M155 HydrophobicContact CB-CE 4.21Å
55	V	98.4	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-27.2	179.6	-57.1	0	0	0	0	113.2	R52 V137 M155 E158 I159 E162 Y163	R52-V55 WeakPolarHBondContact O-CG2 3.34Å; R52-V55 PolarHBondContact O-N 2.9Å; R52-V55 VanDerWaalsContact O-N 3.08Å; V55-V137 HydrophobicContact CG1-CG1 4.38Å; V55-M155 HydrophobicContact CG1-CE 3.53Å; V55-E158 HydrophobicContact CG2-CB 4.02Å; V55-I159 HydrophobicContact CG1-CG1 3.68Å; V55-E162 HydrophobicContact CB-CB 4.4Å; V55-E162 HydrophobicContact CG2-CB 4.2Å; V55-Y163 HydrophobicContact CB-CE2 4.24Å; V55-Y163 WeakPolarHBondContact O-CE2 3.43Å; V55-Y163 PolarHBondContact O-OH 3.44Å
56	Q	98.1	Very high	97.7	Very high	63 Å²	63	22.2 Å²	22.2	29%	0.294	13%	0.125	S	C	.	.	S	Bend	trans	-108.7	116.6	-175.7	-172	-176.2	-8.8	0	0	111	R52 F59	R52-Q56 HydrophobicContact CG-CB 4.29Å; R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.34Å; Q56-F59 HydrophobicContact CB-CB 3.91Å; Q56-F59 HydrophobicContact CB-CG 4.46Å; Q56-F59 HydrophobicContact CG-CB 4.07Å; Q56-F59 VanDerWaalsContact O-CB 3.23Å; Q56-F59 WeakPolarHBondContact O-CB 3.48Å; Q56-F59 PolarHBondContact O-N 3.37Å
57	S	97.7	Very high	97.7	Very high	75 Å²	75	22 Å²	22	52%	0.524	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	141	179.5	-173.9	0	0	0	0	111.8	F59 E131	S57-F59 PolarHBondContact O-N 3.08Å; S57-F59 VanDerWaalsContact O-N 3.15Å; S57-E131 PolarHBondContact OG-OE2 2.67Å
58	G	97.3	Very high	97.8	Very high	32 Å²	32	25.4 Å²	25.4	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-16.7	-177.9	0	0	0	0	0	114.5	A60 Q61 E131	G58-A60 PolarHBondContact O-N 3.24Å; G58-Q61 PolarHBondContact O-N 3.13Å; G58-E131 WeakPolarHBondContact CA-OE1 3.37Å; G58-E131 PolarHBondContact N-OE1 3.5Å; G58-E131 PolarHBondContact N-OE2 2.84Å; G58-E131 VanDerWaalsContact N-OE2 3.15Å
59	F	97.8	Very high	97.8	Very high	17 Å²	17	31 Å²	31	8%	0.075	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-67.2	-25	-175.3	-170.6	-81.2	0	0	0	112.6	A49 R52 A53 Q56 S57 Q61 Q62 T63 L357 L359	A49-F59 HydrophobicContact CB-CE1 3.9Å; A49-F59 HydrophobicContact CB-CZ 4.41Å; R52-F59 HydrophobicContact CB-CD1 4.14Å; R52-F59 HydrophobicContact CB-CE1 3.82Å; R52-F59 HydrophobicContact CB-CZ 4.02Å; R52-F59 HydrophobicContact CG-CD1 4.09Å; R52-F59 HydrophobicContact CG-CD2 3.99Å; R52-F59 HydrophobicContact CG-CE1 3.98Å; R52-F59 HydrophobicContact CG-CE2 3.83Å; R52-F59 HydrophobicContact CG-CG 4.12Å; R52-F59 HydrophobicContact CG-CZ 3.86Å; A53-F59 HydrophobicContact CB-CD1 3.97Å; Q56-F59 HydrophobicContact CB-CB 3.91Å; Q56-F59 HydrophobicContact CB-CG 4.46Å; Q56-F59 HydrophobicContact CG-CB 4.07Å; Q56-F59 VanDerWaalsContact O-CB 3.23Å; Q56-F59 WeakPolarHBondContact O-CB 3.48Å; Q56-F59 PolarHBondContact O-N 3.37Å; S57-F59 PolarHBondContact O-N 3.08Å; S57-F59 VanDerWaalsContact O-N 3.15Å; F59-Q61 PolarHBondContact O-N 2.73Å; F59-Q62 WeakPolarHBondContact O-CG 3.11Å; F59-Q62 PolarHBondContact O-N 2.67Å; F59-T63 HydrophobicContact CD1-CG2 4.11Å; F59-T63 HydrophobicContact CE1-CG2 3.99Å; F59-L357 HydrophobicContact CE1-CD1 4.47Å; F59-L357 HydrophobicContact CZ-CD1 4.09Å; F59-L359 HydrophobicContact CE1-CD1 4.15Å; F59-L359 HydrophobicContact CZ-CD1 3.81Å
60	A	97.6	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.9	178.9	0	0	0	0	0	113.4	A53 G58 Q62 T63 I127 Y130	A53-A60 HydrophobicContact CB-CB 4.04Å; G58-A60 PolarHBondContact O-N 3.24Å; A60-Q62 PolarHBondContact O-N 3.21Å; A60-T63 PolarHBondContact O-N 3.08Å; A60-T63 PolarHBondContact O-OG1 3.35Å; A60-I127 HydrophobicContact CB-CB 4.49Å; A60-I127 HydrophobicContact CB-CG1 4.39Å; A60-I127 HydrophobicContact CB-CG2 4.22Å; A60-Y130 VanDerWaalsContact CB-CB 3.45Å; A60-Y130 HydrophobicContact CB-CD2 4.29Å; A60-Y130 HydrophobicContact CB-CG 4.02Å
61	Q	97	Very high	97.8	Very high	109 Å²	109	31.8 Å²	31.8	51%	0.509	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-60.7	-33.1	-177.2	-63.4	-174.9	6.8	0	0	113.1	G58 F59 I127 P371	G58-Q61 PolarHBondContact O-N 3.13Å; F59-Q61 PolarHBondContact O-N 2.73Å; Q61-I127 HydrophobicContact CG-CG2 4.11Å; Q61-P371 HydrophobicContact CB-CG 4.23Å
62	Q	96.9	Very high	97.8	Very high	57 Å²	57	32.8 Å²	32.8	27%	0.266	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-84.9	-7.4	179.4	52.9	175.8	27.7	0	0	113.6	F59 A60 L359 W363 P371	F59-Q62 WeakPolarHBondContact O-CG 3.11Å; F59-Q62 PolarHBondContact O-N 2.67Å; A60-Q62 PolarHBondContact O-N 3.21Å; Q62-L359 HydrophobicContact CB-CD1 4.43Å; Q62-L359 HydrophobicContact CG-CD1 3.89Å; Q62-L359 WeakPolarHBondContact O-CD2 3.46Å; Q62-W363 PolarHBondContact O-NE1 3.27Å; Q62-P371 HydrophobicContact CB-CG 4.11Å
63	T	97.5	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.9	-179.2	73	0	0	0	0	113.4	H45 H46 A49 A53 F59 A60 L359	H45-T63 WeakPolarHBondContact CA-O 3.11Å; H46-T63 PolarHBondContact N-O 3.42Å; A49-T63 HydrophobicContact CB-CG2 3.92Å; A53-T63 HydrophobicContact CB-CG2 4.11Å; F59-T63 HydrophobicContact CD1-CG2 4.11Å; F59-T63 HydrophobicContact CE1-CG2 3.99Å; A60-T63 PolarHBondContact O-N 3.08Å; A60-T63 PolarHBondContact O-OG1 3.35Å; T63-L359 HydrophobicContact CG2-CD2 4.37Å
64	F	97.8	Very high	97.7	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.5	178.9	-69.6	-87.1	0	0	0	112.1	A43 F44 H45 Y123 A126 I127 Y130	A43-F64 HydrophobicContact CB-CB 4.28Å; A43-F64 HydrophobicContact CB-CD1 4.31Å; F44-F64 CarbonylContact O-C 3.58Å; F44-F64 VanDerWaalsContact O-CA 3.3Å; F44-F64 WeakPolarHBondContact O-CA 3.39Å; H45-F64 HydrophobicContact CB-CD1 3.98Å; H45-F64 HydrophobicContact CB-CE1 3.63Å; H45-F64 HydrophobicContact CB-CZ 4.31Å; H45-F64 AromaticContact CD2-CE1 3.73Å; H45-F64 AromaticContact CD2-CE2 3.91Å; H45-F64 AromaticContact CD2-CZ 3.54Å; H45-F64 AromaticContact CG-CE1 3.6Å; H45-F64 AromaticContact CG-CZ 3.76Å; H45-F64 AromaticContact NE2-CZ 3.92Å; F64-Y123 HydrophobicContact CB-CD2 4.03Å; F64-Y123 HydrophobicContact CB-CG 4.39Å; F64-A126 HydrophobicContact CD1-CB 4.44Å; F64-A126 HydrophobicContact CE1-CB 3.64Å; F64-A126 HydrophobicContact CE2-CB 4.02Å; F64-A126 HydrophobicContact CZ-CB 3.4Å; F64-A126 VanDerWaalsContact CZ-CB 3.4Å; F64-I127 HydrophobicContact CB-CD1 4.5Å; F64-I127 HydrophobicContact CD2-CD1 4.37Å; F64-I127 HydrophobicContact CD2-CG1 3.65Å; F64-I127 HydrophobicContact CE2-CG1 4.17Å; F64-I127 HydrophobicContact CG-CG1 4.38Å; F64-Y130 AromaticContact CE2-CD2 3.9Å; F64-Y130 HydrophobicContact CE2-CD2 3.9Å; F64-Y130 AromaticContact CE2-CE2 3.89Å; F64-Y130 HydrophobicContact CE2-CE2 3.89Å; F64-Y130 HydrophobicContact CZ-CD2 4.25Å; F64-Y130 AromaticContact CZ-CE2 3.87Å; F64-Y130 HydrophobicContact CZ-CE2 3.87Å
65	I	98.2	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108.3	-178	-47.9	178.8	0	0	0	109.3	A43 F44 Y67 W363 M366 Q368	A43-I65 CarbonylContact C-O 3.54Å; A43-I65 WeakPolarHBondContact CA-O 3.29Å; A43-I65 WeakPolarHBondContact CB-O 3.09Å; F44-I65 HydrophobicContact CB-CB 4.29Å; F44-I65 HydrophobicContact CD1-CB 4.37Å; F44-I65 HydrophobicContact CD1-CD1 3.96Å; F44-I65 HydrophobicContact CD1-CG1 4.21Å; F44-I65 HydrophobicContact CE1-CD1 4.47Å; F44-I65 PolarHBondContact N-O 2.98Å; F44-I65 PolarHBondContact O-N 3.23Å; I65-Y67 PolarHBondContact O-N 3.04Å; I65-W363 HydrophobicContact CD1-CB 4.45Å; I65-W363 HydrophobicContact CD1-CD2 3.74Å; I65-W363 HydrophobicContact CD1-CE3 4.22Å; I65-W363 HydrophobicContact CD1-CG 3.85Å; I65-W363 HydrophobicContact CD1-CZ2 4.49Å; I65-W363 HydrophobicContact CG1-CD2 3.89Å; I65-W363 HydrophobicContact CG1-CE3 4.14Å; I65-W363 HydrophobicContact CG1-CG 4.49Å; I65-W363 HydrophobicContact CG1-CH2 4.05Å; I65-W363 HydrophobicContact CG1-CZ2 3.78Å; I65-W363 HydrophobicContact CG1-CZ3 4.23Å; I65-W363 HydrophobicContact CG2-CE3 4.08Å; I65-W363 HydrophobicContact CG2-CH2 4.43Å; I65-W363 HydrophobicContact CG2-CZ3 3.98Å; I65-M366 HydrophobicContact CB-CE 4.46Å; I65-M366 HydrophobicContact CB-CG 4.36Å; I65-M366 HydrophobicContact CD1-CB 4.45Å; I65-M366 HydrophobicContact CD1-CG 4.15Å; I65-M366 HydrophobicContact CG2-CB 3.65Å; I65-M366 HydrophobicContact CG2-CE 4.05Å; I65-M366 HydrophobicContact CG2-CG 3.86Å; I65-Q368 HydrophobicContact CG2-CB 4.25Å; I65-Q368 HydrophobicContact CG2-CG 4.3Å
66	P	97.9	Very high	97.7	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.5	-172.6	-27.2	35.3	0	0	0	113.6	K69 Y123 Q368	P66-K69 HydrophobicContact CB-CD 4.34Å; P66-K69 HydrophobicContact CB-CG 4.42Å; P66-K69 HydrophobicContact CG-CD 4.44Å; P66-Y123 HydrophobicContact CB-CE1 4.41Å; P66-Y123 HydrophobicContact CG-CD1 4.33Å; P66-Y123 HydrophobicContact CG-CE1 3.82Å; P66-Y123 HydrophobicContact CG-CE2 4.29Å; P66-Q368 PolarHBondContact O-NE2 3Å
67	Y	98.4	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-40.2	-178	-68.2	-57.4	0	0	0	112.5	G17 L37 D39 R41 D42 A43 F44 I65 K69 T70 F71 F75 M366	G17-Y67 WeakPolarHBondContact CA-OH 3.34Å; G17-Y67 PolarHBondContact O-OH 3.02Å; L37-Y67 HydrophobicContact CD2-CD1 4.06Å; L37-Y67 HydrophobicContact CD2-CE1 4.16Å; D39-Y67 HydrophobicContact CB-CE2 3.8Å; D39-Y67 PolarHBondContact OD2-OH 3.38Å; R41-Y67 WeakPolarHBondContact O-CE2 3.23Å; D42-Y67 VanDerWaalsContact C-CD2 3.42Å; D42-Y67 WeakPolarHBondContact O-CD2 3.43Å; D42-Y67 PolarHBondContact O-N 3.27Å; A43-Y67 VanDerWaalsContact O-CE2 3.29Å; A43-Y67 WeakPolarHBondContact O-CE2 3.3Å; A43-Y67 PolarHBondContact O-OH 3.32Å; F44-Y67 VanDerWaalsContact CA-CZ 3.44Å; F44-Y67 WeakPolarHBondContact CA-OH 3.3Å; F44-Y67 HydrophobicContact CB-CD1 4.29Å; F44-Y67 HydrophobicContact CB-CE1 3.59Å; I65-Y67 PolarHBondContact O-N 3.04Å; Y67-K69 PolarHBondContact O-N 3.22Å; Y67-T70 PolarHBondContact O-N 3.46Å; Y67-F71 AromaticContact CD1-CD2 3.95Å; Y67-F71 HydrophobicContact CD1-CD2 3.95Å; Y67-F71 AromaticContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CE1-CE2 4.47Å; Y67-F71 PolarHBondContact O-N 3.41Å; Y67-F75 AromaticContact CD2-CD2 3.98Å; Y67-F75 HydrophobicContact CD2-CD2 3.98Å; Y67-F75 HydrophobicContact CD2-CE1 4.26Å; Y67-F75 AromaticContact CD2-CE2 3.37Å; Y67-F75 HydrophobicContact CD2-CE2 3.37Å; Y67-F75 AromaticContact CD2-CZ 3.54Å; Y67-F75 HydrophobicContact CD2-CZ 3.54Å; Y67-F75 HydrophobicContact CE2-CE2 4.08Å; Y67-F75 HydrophobicContact CE2-CZ 4.41Å; Y67-F75 AromaticContact CG-CD2 3.98Å; Y67-F75 HydrophobicContact CG-CD2 3.98Å; Y67-F75 AromaticContact CG-CE2 3.86Å; Y67-F75 HydrophobicContact CG-CE2 3.86Å; Y67-F75 HydrophobicContact CG-CG 4.42Å; Y67-F75 HydrophobicContact CG-CZ 4.19Å; Y67-M366 HydrophobicContact CD1-CE 3.97Å; Y67-M366 HydrophobicContact CE1-CE 4.49Å
68	L	97.2	Very high	97.5	Very high	112 Å²	112	43.9 Å²	43.9	59%	0.586	23%	0.23	S	C	*	.	H	α-helix	trans	-55.4	-37.4	-177.7	-75.7	172.3	0	0	0	112.6	T70 G72 F75	L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.86Å; L68-G72 WeakPolarHBondContact O-CA 3.33Å; L68-G72 PolarHBondContact O-N 3.39Å; L68-F75 HydrophobicContact CD2-CD1 3.8Å; L68-F75 HydrophobicContact CG-CD1 3.94Å; L68-F75 HydrophobicContact CG-CE1 4.31Å
69	K	97.3	Very high	97.5	Very high	154 Å²	154	47.3 Å²	47.3	67%	0.67	23%	0.234	S	C	*	.	H	α-helix	trans	-66.6	-28.8	177.3	-72.8	-179	178.1	179.5	0	113	P66 Y67 Q368	P66-K69 HydrophobicContact CB-CD 4.34Å; P66-K69 HydrophobicContact CB-CG 4.42Å; P66-K69 HydrophobicContact CG-CD 4.44Å; Y67-K69 PolarHBondContact O-N 3.22Å; K69-Q368 HydrophobicContact CB-CG 4.42Å; K69-Q368 VanDerWaalsContact CD-OE1 3.25Å
70	T	97.6	Very high	97.5	Very high	12 Å²	12	47.6 Å²	47.6	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-95.9	-42.4	-177.8	-59.3	0	0	0	0	112.5	K29 Y67 L68 M366 Q368	K29-T70 PolarHBondContact NZ-O 3.15Å; Y67-T70 PolarHBondContact O-N 3.46Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.86Å; T70-M366 HydrophobicContact CG2-CE 4.1Å; T70-M366 WeakPolarHBondContact CG2-O 3.37Å; T70-M366 HydrophobicContact CG2-SD 3.92Å; T70-M366 WeakPolarHBondContact OG1-CE 3.46Å; T70-M366 PolarHBondContact OG1-O 2.83Å; T70-Q368 PolarHBondContact OG1-NE2 3Å
71	F	98.3	Very high	97.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-109.6	-16.4	-168.5	-60	-59.1	0	0	0	114.1	T22 A25 Q26 F35 L37 Y67 E73 N74 F75 M366	T22-F71 HydrophobicContact CG2-CZ 4.36Å; A25-F71 HydrophobicContact CB-CD1 4.21Å; A25-F71 HydrophobicContact CB-CE1 3.57Å; A25-F71 HydrophobicContact CB-CE2 4.42Å; A25-F71 HydrophobicContact CB-CZ 3.7Å; Q26-F71 HydrophobicContact CG-CE1 4.09Å; Q26-F71 HydrophobicContact CG-CZ 4.1Å; F35-F71 HydrophobicContact CE2-CD1 4.26Å; F35-F71 AromaticContact CZ-CD1 3.99Å; F35-F71 HydrophobicContact CZ-CD1 3.99Å; L37-F71 HydrophobicContact CD2-CD2 3.62Å; L37-F71 HydrophobicContact CD2-CE2 3.53Å; L37-F71 HydrophobicContact CD2-CG 4.4Å; L37-F71 HydrophobicContact CD2-CZ 4.26Å; Y67-F71 AromaticContact CD1-CD2 3.95Å; Y67-F71 HydrophobicContact CD1-CD2 3.95Å; Y67-F71 AromaticContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CE1-CE2 4.47Å; Y67-F71 PolarHBondContact O-N 3.41Å; F71-E73 PolarHBondContact O-N 3.03Å; F71-N74 WeakPolarHBondContact O-CB 3.48Å; F71-N74 PolarHBondContact O-N 3.14Å; F71-N74 VanDerWaalsContact O-N 3.09Å; F71-N74 PolarHBondContact O-ND2 3.08Å; F71-F75 HydrophobicContact CB-CB 3.97Å; F71-M366 HydrophobicContact CE2-CE 3.91Å; F71-M366 HydrophobicContact CE2-SD 4.02Å; F71-M366 HydrophobicContact CZ-SD 4.08Å
72	G	97.4	Very high	97.5	Very high	32 Å²	32	51.1 Å²	51.1	33%	0.33	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	56	-126.9	177.9	0	0	0	0	0	112.1	L68 N74 F75	L68-G72 WeakPolarHBondContact O-CA 3.33Å; L68-G72 PolarHBondContact O-N 3.39Å; G72-N74 PolarHBondContact O-N 3.38Å; G72-F75 PolarHBondContact O-N 3.08Å
73	E	96.9	Very high	97.6	Very high	184 Å²	184	48.5 Å²	48.5	86%	0.86	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-65.6	-17.6	179	67.9	-167.9	167.1	0	0	114.6	F71 F75	F71-E73 PolarHBondContact O-N 3.03Å; E73-F75 PolarHBondContact O-N 3.15Å
74	N	98.3	Very high	97.6	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79.1	2	176.5	-55.2	-79.4	0	0	0	112.5	F35 T36 L37 F71 G72	F35-N74 HydrophobicContact CD1-CB 4.38Å; F35-N74 HydrophobicContact CD2-CB 4.12Å; F35-N74 HydrophobicContact CE1-CB 3.91Å; F35-N74 HydrophobicContact CE2-CB 3.6Å; F35-N74 HydrophobicContact CG-CB 4.49Å; F35-N74 HydrophobicContact CZ-CB 3.48Å; F35-N74 VanDerWaalsContact CZ-CB 3.48Å; F35-N74 PolarHBondContact O-OD1 3.29Å; T36-N74 CarbonylContact C-O 3.57Å; T36-N74 WeakPolarHBondContact CA-O 3.29Å; L37-N74 PolarHBondContact N-O 2.82Å; F71-N74 WeakPolarHBondContact O-CB 3.48Å; F71-N74 PolarHBondContact O-N 3.14Å; F71-N74 VanDerWaalsContact O-N 3.09Å; F71-N74 PolarHBondContact O-ND2 3.08Å; G72-N74 PolarHBondContact O-N 3.38Å
75	F	98.6	Very high	97.5	Very high	18 Å²	18	50.5 Å²	50.5	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.3	175.8	170.1	-111	0	0	0	111.3	L37 D39 R41 Y67 L68 F71 G72 E73 Q77	L37-F75 HydrophobicContact CD2-CD2 4.42Å; L37-F75 HydrophobicContact CG-CD2 4.37Å; L37-F75 WeakPolarHBondContact O-CA 3.5Å; L37-F75 WeakPolarHBondContact O-CD2 3.42Å; D39-F75 HydrophobicContact CB-CE2 4.3Å; R41-F75 WeakPolarHBondContact O-CZ 3Å; Y67-F75 AromaticContact CD2-CD2 3.98Å; Y67-F75 HydrophobicContact CD2-CD2 3.98Å; Y67-F75 HydrophobicContact CD2-CE1 4.26Å; Y67-F75 AromaticContact CD2-CE2 3.37Å; Y67-F75 HydrophobicContact CD2-CE2 3.37Å; Y67-F75 AromaticContact CD2-CZ 3.54Å; Y67-F75 HydrophobicContact CD2-CZ 3.54Å; Y67-F75 HydrophobicContact CE2-CE2 4.08Å; Y67-F75 HydrophobicContact CE2-CZ 4.41Å; Y67-F75 AromaticContact CG-CD2 3.98Å; Y67-F75 HydrophobicContact CG-CD2 3.98Å; Y67-F75 AromaticContact CG-CE2 3.86Å; Y67-F75 HydrophobicContact CG-CE2 3.86Å; Y67-F75 HydrophobicContact CG-CG 4.42Å; Y67-F75 HydrophobicContact CG-CZ 4.19Å; L68-F75 HydrophobicContact CD2-CD1 3.8Å; L68-F75 HydrophobicContact CG-CD1 3.94Å; L68-F75 HydrophobicContact CG-CE1 4.31Å; F71-F75 HydrophobicContact CB-CB 3.97Å; G72-F75 PolarHBondContact O-N 3.08Å; E73-F75 PolarHBondContact O-N 3.15Å; F75-Q77 HydrophobicContact CE1-CB 3.83Å; F75-Q77 HydrophobicContact CZ-CB 3.61Å; F75-Q77 HydrophobicContact CZ-CG 4.22Å
76	L	97.7	Very high	97.3	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.162	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.6	174.3	178.4	60.3	0	0	0	109.3	T36 L37 I38 D39 G78 L92 K96 V98	T36-L76 HydrophobicContact CG2-CB 3.89Å; T36-L76 HydrophobicContact CG2-CD2 4.45Å; L37-L76 PolarHBondContact O-N 3.41Å; I38-L76 VanDerWaalsContact CA-O 3.32Å; I38-L76 WeakPolarHBondContact CA-O 3.44Å; I38-L76 HydrophobicContact CG1-CB 4.32Å; I38-L76 HydrophobicContact CG1-CD2 4.38Å; D39-L76 PolarHBondContact N-O 3.39Å; L76-G78 PolarHBondContact O-N 3.25Å; L76-L92 HydrophobicContact CD2-CD1 4.31Å; L76-L92 HydrophobicContact CD2-CD2 3.63Å; L76-L92 HydrophobicContact CG-CD2 3.85Å; L76-K96 HydrophobicContact CD1-CD 4.31Å; L76-K96 HydrophobicContact CD2-CD 4.06Å; L76-V98 HydrophobicContact CD2-CG2 3.88Å
77	Q	96.6	Very high	97.2	Very high	82 Å²	82	58.5 Å²	58.5	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129	172.5	-170.9	180	7.3	0	0	110.1	D39 L40 F75	D39-Q77 CarbonylContact O-C 3.48Å; D39-Q77 WeakPolarHBondContact O-CA 3.42Å; L40-Q77 PolarHBondContact O-NE2 3.07Å; F75-Q77 HydrophobicContact CE1-CB 3.83Å; F75-Q77 HydrophobicContact CZ-CB 3.61Å; F75-Q77 HydrophobicContact CZ-CG 4.22Å
78	G	95.6	Very high	97.2	Very high	15 Å²	15	62.1 Å²	62.1	16%	0.155	32%	0.318	C	S	.	.	S	Bend	trans	166.6	162.9	169.4	0	0	0	0	0	113.6	D39 L40 L76	D39-G78 CarbonylContact C-O 3.56Å; D39-G78 VanDerWaalsContact C-O 3.26Å; D39-G78 PolarHBondContact O-N 2.89Å; L40-G78 WeakPolarHBondContact CA-O 2.81Å; L40-G78 PolarHBondContact N-O 2.85Å; L76-G78 PolarHBondContact O-N 3.25Å
79	R	96.8	Very high	97.3	Very high	105 Å²	105	57.2 Å²	57.2	40%	0.396	29%	0.292	S	S	.	.			trans	-84.2	119.1	174.9	176.8	179.1	-69.5	-90.1	-1.7	108.7	I81 L92 D93 V120	R79-I81 HydrophobicContact CG-CG2 4.05Å; R79-L92 CarbonylContact O-C 3.59Å; R79-L92 VanDerWaalsContact O-CA 3.25Å; R79-L92 WeakPolarHBondContact O-CA 3.36Å; R79-D93 HydrophobicContact CB-CB 4.12Å; R79-D93 PolarHBondContact O-N 2.99Å; R79-V120 HydrophobicContact CB-CG2 4.32Å
80	V	97.8	Very high	97.3	Very high	22 Å²	22	49.9 Å²	49.9	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.3	166.6	175.4	0	0	0	0	108.9	V15 I38 V83 V90 L92 A249	V15-V80 HydrophobicContact CG1-CB 3.9Å; V15-V80 HydrophobicContact CG1-CG1 4.17Å; V15-V80 HydrophobicContact CG1-CG2 3.7Å; V15-V80 HydrophobicContact CG2-CG2 4.24Å; I38-V80 HydrophobicContact CB-CG2 4.2Å; I38-V80 HydrophobicContact CD1-CG2 4.31Å; I38-V80 HydrophobicContact CG2-CG2 3.59Å; V80-V83 HydrophobicContact CG1-CG2 4.07Å; V80-V90 HydrophobicContact CB-CG1 4.12Å; V80-V90 HydrophobicContact CG1-CG1 3.35Å; V80-V90 HydrophobicContact CG2-CG1 3.61Å; V80-L92 HydrophobicContact CG2-CG 4.41Å; V80-A249 HydrophobicContact CG1-CB 3.99Å
81	I	97.6	Very high	97.4	Very high	83 Å²	83	49.8 Å²	49.8	43%	0.426	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-17	-180	61	168.6	0	0	0	112.6	R79 A91 D93	R79-I81 HydrophobicContact CG-CG2 4.05Å; I81-A91 PolarHBondContact N-O 3.02Å; I81-D93 HydrophobicContact CG2-CB 3.89Å
82	W	98.2	Very high	97.3	Very high	101 Å²	101	49.9 Å²	49.9	38%	0.383	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.5	-178.7	-167.9	-121.9	0	0	0	111.9	V90 A91 A249 S252 T253	W82-V90 WeakPolarHBondContact O-CA 3.31Å; W82-A91 HydrophobicContact CB-CB 3.84Å; W82-A91 PolarHBondContact N-O 3.28Å; W82-A91 PolarHBondContact O-N 3.07Å; W82-A249 CarbonylContact C-O 3.57Å; W82-A249 VanDerWaalsContact CA-O 3.28Å; W82-A249 WeakPolarHBondContact CA-O 3.38Å; W82-S252 WeakPolarHBondContact CH2-OG 3.45Å; W82-S252 WeakPolarHBondContact CZ3-OG 3.26Å; W82-T253 HydrophobicContact CD2-CG2 4.28Å; W82-T253 HydrophobicContact CE3-CG2 4.38Å; W82-T253 HydrophobicContact CH2-CG2 3.19Å; W82-T253 HydrophobicContact CZ2-CG2 3.01Å; W82-T253 HydrophobicContact CZ3-CG2 3.9Å
83	V	98.4	Very high	97.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.9	170.7	174.4	0	0	0	0	107.3	V80 V90 L103 L105 A249 T253	V80-V83 HydrophobicContact CG1-CG2 4.07Å; V83-V90 HydrophobicContact CG2-CG2 4.41Å; V83-L103 HydrophobicContact CG1-CD2 3.44Å; V83-L103 VanDerWaalsContact CG1-CD2 3.44Å; V83-L105 HydrophobicContact CG2-CD2 4.16Å; V83-A249 PolarHBondContact N-O 2.9Å; V83-T253 VanDerWaalsContact O-CB 3.27Å; V83-T253 WeakPolarHBondContact O-CB 3.45Å; V83-T253 WeakPolarHBondContact O-CG2 3.26Å; V83-T253 PolarHBondContact O-OG1 3.2Å
84	D	97.3	Very high	97	Very high	40 Å²	40	48.6 Å²	48.6	21%	0.214	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.5	174.1	-178.8	2.9	0	0	0	110.1	V86 S87 Q88 T89 Y100	D84-V86 VanDerWaalsContact C-N 3.28Å; D84-V86 PolarHBondContact O-N 2.94Å; D84-V86 WeakPolarHBondContact OD1-CB 3.33Å; D84-V86 PolarHBondContact OD1-N 2.99Å; D84-S87 WeakPolarHBondContact CB-OG 3.41Å; D84-S87 PolarHBondContact OD1-N 3.13Å; D84-S87 VanDerWaalsContact OD2-CB 3.23Å; D84-S87 WeakPolarHBondContact OD2-CB 3.28Å; D84-S87 PolarHBondContact OD2-N 3.06Å; D84-S87 PolarHBondContact OD2-OG 3.48Å; D84-Q88 VanDerWaalsContact O-CA 3.29Å; D84-Q88 WeakPolarHBondContact O-CA 3.41Å; D84-Q88 PolarHBondContact O-N 3.07Å; D84-T89 PolarHBondContact N-O 3.04Å; D84-T89 PolarHBondContact O-N 3.07Å; D84-Y100 PolarHBondContact O-OH 3.39Å
85	P	95.8	Very high	96.7	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.052	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.3	178.9	35.5	-39.2	0	0	0	113.8	Y100 L254 Y275 V278	P85-Y100 WeakPolarHBondContact CA-OH 3.19Å; P85-L254 HydrophobicContact CB-CD2 4.34Å; P85-L254 HydrophobicContact CG-CD2 3.8Å; P85-Y275 HydrophobicContact CB-CD1 3.84Å; P85-Y275 HydrophobicContact CB-CE1 3.42Å; P85-Y275 VanDerWaalsContact CB-CE1 3.42Å; P85-Y275 HydrophobicContact CG-CE1 3.68Å; P85-Y275 HydrophobicContact CG-CE2 4.41Å; P85-Y275 WeakPolarHBondContact CG-OH 3.31Å; P85-V278 HydrophobicContact CB-CG2 4.43Å
86	V	94.6	Very high	96.6	Very high	120 Å²	120	54.1 Å²	54.1	73%	0.727	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-51.2	179	-179.4	0	0	0	0	110.2	D84 Q88	D84-V86 VanDerWaalsContact C-N 3.28Å; D84-V86 PolarHBondContact O-N 2.94Å; D84-V86 WeakPolarHBondContact OD1-CB 3.33Å; D84-V86 PolarHBondContact OD1-N 2.99Å; V86-Q88 VanDerWaalsContact C-N 3.26Å
87	S	95.8	Very high	96.6	Very high	61 Å²	61	58.4 Å²	58.4	43%	0.427	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.1	174.6	69.7	0	0	0	0	113.8	D84 T89	D84-S87 WeakPolarHBondContact CB-OG 3.41Å; D84-S87 PolarHBondContact OD1-N 3.13Å; D84-S87 VanDerWaalsContact OD2-CB 3.23Å; D84-S87 WeakPolarHBondContact OD2-CB 3.28Å; D84-S87 PolarHBondContact OD2-N 3.06Å; D84-S87 PolarHBondContact OD2-OG 3.48Å; S87-T89 PolarHBondContact O-OG1 3.3Å; S87-T89 WeakPolarHBondContact OG-CB 3.34Å; S87-T89 PolarHBondContact OG-OG1 3.28Å; S87-T89 VanDerWaalsContact OG-OG1 3.07Å
88	Q	98	Very high	96.7	Very high	76 Å²	76	55.3 Å²	55.3	36%	0.355	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	51.5	-176.8	-53.5	-178.1	17.1	0	0	112.3	D84 V86 H99 Y100	D84-Q88 VanDerWaalsContact O-CA 3.29Å; D84-Q88 WeakPolarHBondContact O-CA 3.41Å; D84-Q88 PolarHBondContact O-N 3.07Å; V86-Q88 VanDerWaalsContact C-N 3.26Å; Q88-H99 CarbonylContact O-C 3.52Å; Q88-H99 WeakPolarHBondContact O-CA 3.15Å; Q88-Y100 VanDerWaalsContact C-CD1 3.48Å; Q88-Y100 HydrophobicContact CB-CD2 3.93Å; Q88-Y100 HydrophobicContact CB-CE1 4.43Å; Q88-Y100 HydrophobicContact CB-CE2 3.73Å; Q88-Y100 HydrophobicContact CB-CG 4.37Å; Q88-Y100 VanDerWaalsContact CB-O 3.27Å; Q88-Y100 WeakPolarHBondContact CB-O 3.15Å; Q88-Y100 HydrophobicContact CG-CE2 4.15Å; Q88-Y100 VanDerWaalsContact O-CD1 3.25Å; Q88-Y100 WeakPolarHBondContact O-CD1 3.34Å; Q88-Y100 PolarHBondContact O-N 3.23Å; Q88-Y100 PolarHBondContact OE1-O 2.71Å
89	T	98.2	Very high	96.8	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.8	-173.4	-50.8	0	0	0	0	111.4	D84 S87 E97 H99	D84-T89 PolarHBondContact N-O 3.04Å; D84-T89 PolarHBondContact O-N 3.07Å; S87-T89 PolarHBondContact O-OG1 3.3Å; S87-T89 WeakPolarHBondContact OG-CB 3.34Å; S87-T89 PolarHBondContact OG-OG1 3.28Å; S87-T89 VanDerWaalsContact OG-OG1 3.07Å; T89-E97 HydrophobicContact CG2-CB 3.8Å; T89-E97 HydrophobicContact CG2-CG 4.1Å; T89-H99 PolarHBondContact OG1-CE1 3.12Å; T89-H99 PolarHBondContact OG1-ND1 2.72Å
90	V	98.5	Very high	96.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.3	168.9	178.7	0	0	0	0	108.8	V13 V15 I38 V80 W82 V83 E97 V98 Y100 L103	V13-V90 HydrophobicContact CG1-CB 4.46Å; V13-V90 HydrophobicContact CG1-CG2 3.97Å; V15-V90 HydrophobicContact CG2-CG1 4.12Å; V15-V90 HydrophobicContact CG2-CG2 4.21Å; I38-V90 HydrophobicContact CD1-CG1 4.16Å; V80-V90 HydrophobicContact CB-CG1 4.12Å; V80-V90 HydrophobicContact CG1-CG1 3.35Å; V80-V90 HydrophobicContact CG2-CG1 3.61Å; W82-V90 WeakPolarHBondContact O-CA 3.31Å; V83-V90 HydrophobicContact CG2-CG2 4.41Å; V90-E97 CarbonylContact O-C 3.52Å; V90-E97 WeakPolarHBondContact O-CA 3.25Å; V90-V98 PolarHBondContact N-O 2.9Å; V90-V98 PolarHBondContact O-N 3.33Å; V90-Y100 HydrophobicContact CG2-CD1 3.89Å; V90-Y100 HydrophobicContact CG2-CE1 3.8Å; V90-L103 HydrophobicContact CG2-CD1 3.89Å
91	A	98.3	Very high	96.9	Very high	11 Å²	11	55.9 Å²	55.9	9%	0.091	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135	175.7	0	0	0	0	0	111.4	I81 W82 E97	I81-A91 PolarHBondContact N-O 3.02Å; W82-A91 HydrophobicContact CB-CB 3.84Å; W82-A91 PolarHBondContact N-O 3.28Å; W82-A91 PolarHBondContact O-N 3.07Å; A91-E97 HydrophobicContact CB-CG 4.03Å
92	L	97.5	Very high	96.9	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	155.3	175.6	-70.4	72.4	0	0	0	110.5	I38 L76 R79 V80 G94 G95 K96 V98	I38-L92 HydrophobicContact CD1-CD1 4.11Å; I38-L92 HydrophobicContact CG2-CD2 3.95Å; I38-L92 HydrophobicContact CG2-CG 4.25Å; L76-L92 HydrophobicContact CD2-CD1 4.31Å; L76-L92 HydrophobicContact CD2-CD2 3.63Å; L76-L92 HydrophobicContact CG-CD2 3.85Å; R79-L92 CarbonylContact O-C 3.59Å; R79-L92 VanDerWaalsContact O-CA 3.25Å; R79-L92 WeakPolarHBondContact O-CA 3.36Å; V80-L92 HydrophobicContact CG2-CG 4.41Å; L92-G94 PolarHBondContact O-N 3.03Å; L92-G95 PolarHBondContact O-N 3.01Å; L92-K96 PolarHBondContact N-O 3.36Å; L92-V98 HydrophobicContact CD1-CG2 4.1Å
93	D	94.9	Very high	97	Very high	110 Å²	110	47.9 Å²	47.9	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	133.7	163.3	-165.2	9	0	0	0	109.7	R79 I81	R79-D93 HydrophobicContact CB-CB 4.12Å; R79-D93 PolarHBondContact O-N 2.99Å; I81-D93 HydrophobicContact CG2-CB 3.89Å
94	G	92.2	Very high	97	Very high	78 Å²	78	47.8 Å²	47.8	80%	0.804	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	3.7	-168.9	0	0	0	0	0	115.8	L92	L92-G94 PolarHBondContact O-N 3.03Å
95	G	93	Very high	97.1	Very high	64 Å²	64	45.9 Å²	45.9	66%	0.66	28%	0.275	S	S	*	.	S	Bend	trans	86.2	4.9	165.2	0	0	0	0	0	116.1	L92	L92-G95 PolarHBondContact O-N 3.01Å
96	K	96.6	Very high	97.2	Very high	114 Å²	114	46 Å²	46	50%	0.496	28%	0.276	S	S	.	.			trans	-73.6	132.7	172.6	-178.3	172.1	179.2	179.4	0	110	L76 L92	L76-K96 HydrophobicContact CD1-CD 4.31Å; L76-K96 HydrophobicContact CD2-CD 4.06Å; L92-K96 PolarHBondContact N-O 3.36Å
97	E	97.8	Very high	97.3	Very high	121 Å²	121	41.5 Å²	41.5	57%	0.565	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.5	175.3	-68.4	-177.3	175.7	0	0	111.1	T89 V90 A91	T89-E97 HydrophobicContact CG2-CB 3.8Å; T89-E97 HydrophobicContact CG2-CG 4.1Å; V90-E97 CarbonylContact O-C 3.52Å; V90-E97 WeakPolarHBondContact O-CA 3.25Å; A91-E97 HydrophobicContact CB-CG 4.03Å
98	V	98.3	Very high	97.3	Very high	17 Å²	17	39.3 Å²	39.3	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.1	176.4	-172.1	0	0	0	0	108.5	V13 I38 L76 V90 L92	V13-V98 HydrophobicContact CG2-CB 4.46Å; V13-V98 HydrophobicContact CG2-CG1 3.6Å; I38-V98 HydrophobicContact CD1-CG2 4.26Å; L76-V98 HydrophobicContact CD2-CG2 3.88Å; V90-V98 PolarHBondContact N-O 2.9Å; V90-V98 PolarHBondContact O-N 3.33Å; L92-V98 HydrophobicContact CD1-CG2 4.1Å
99	H	98	Very high	97.2	Very high	122 Å²	122	36.4 Å²	36.4	57%	0.565	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.8	173.4	-64.9	-68.2	0	0	0	111.1	H11 Q88 T89	H11-H99 PolarHBondContact CD2-O 2.9Å; Q88-H99 CarbonylContact O-C 3.52Å; Q88-H99 WeakPolarHBondContact O-CA 3.15Å; T89-H99 PolarHBondContact OG1-CE1 3.12Å; T89-H99 PolarHBondContact OG1-ND1 2.72Å
100	Y	98.2	Very high	97	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.039	24%	0.238	C	C	.	.			trans	-136.5	157	178.1	62.2	-99.9	0	0	0	112.1	V13 D84 P85 Q88 V90 H102 L103	V13-Y100 HydrophobicContact CB-CD1 4.48Å; D84-Y100 PolarHBondContact O-OH 3.39Å; P85-Y100 WeakPolarHBondContact CA-OH 3.19Å; Q88-Y100 VanDerWaalsContact C-CD1 3.48Å; Q88-Y100 HydrophobicContact CB-CD2 3.93Å; Q88-Y100 HydrophobicContact CB-CE1 4.43Å; Q88-Y100 HydrophobicContact CB-CE2 3.73Å; Q88-Y100 HydrophobicContact CB-CG 4.37Å; Q88-Y100 VanDerWaalsContact CB-O 3.27Å; Q88-Y100 WeakPolarHBondContact CB-O 3.15Å; Q88-Y100 HydrophobicContact CG-CE2 4.15Å; Q88-Y100 VanDerWaalsContact O-CD1 3.25Å; Q88-Y100 WeakPolarHBondContact O-CD1 3.34Å; Q88-Y100 PolarHBondContact O-N 3.23Å; Q88-Y100 PolarHBondContact OE1-O 2.71Å; V90-Y100 HydrophobicContact CG2-CD1 3.89Å; V90-Y100 HydrophobicContact CG2-CE1 3.8Å; Y100-H102 WeakPolarHBondContact CB-O 3.38Å; Y100-L103 HydrophobicContact CD1-CB 4.35Å; Y100-L103 HydrophobicContact CD1-CD1 4.47Å; Y100-L103 HydrophobicContact CD2-CB 3.84Å; Y100-L103 HydrophobicContact CE1-CB 4.12Å; Y100-L103 HydrophobicContact CE1-CD1 4.38Å; Y100-L103 HydrophobicContact CE1-CD2 3.89Å; Y100-L103 HydrophobicContact CE1-CG 4.37Å; Y100-L103 HydrophobicContact CE2-CB 3.6Å; Y100-L103 HydrophobicContact CE2-CD2 4.42Å; Y100-L103 HydrophobicContact CG-CB 4.2Å; Y100-L103 WeakPolarHBondContact OH-CD2 3.45Å
101	S	97.9	Very high	96.8	Very high	22 Å²	22	40.2 Å²	40.2	15%	0.154	25%	0.248	C	C	.	.	S	Bend	trans	-91.6	-34.1	161.7	65.8	0	0	0	0	111	H11 N277	H11-S101 PolarHBondContact N-OG 3.26Å; H11-S101 PolarHBondContact O-N 2.84Å; H11-S101 PolarHBondContact O-OG 3.3Å; S101-N277 WeakPolarHBondContact O-CB 3.37Å; S101-N277 PolarHBondContact O-ND2 2.84Å
102	H	98.6	Very high	96.6	Very high	16 Å²	16	41.4 Å²	41.4	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.5	179	-61.5	74.6	0	0	0	109.9	H11 V12 V13 Y100 N277 I307	H11-H102 PolarHBondContact O-N 3.31Å; V12-H102 WeakPolarHBondContact CA-O 3.36Å; V12-H102 HydrophobicContact CG1-CB 4.49Å; V12-H102 HydrophobicContact CG2-CB 4.26Å; V13-H102 PolarHBondContact N-O 3.47Å; Y100-H102 WeakPolarHBondContact CB-O 3.38Å; H102-N277 CarbonylContact C-O 3.37Å; H102-N277 VanDerWaalsContact CA-O 3.3Å; H102-N277 WeakPolarHBondContact CA-O 3.48Å; H102-I307 HydrophobicContact CB-CD1 4.14Å; H102-I307 HydrophobicContact CB-CG1 4.25Å; H102-I307 HydrophobicContact CB-CG2 4.46Å
103	L	98.9	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	-178.6	177.4	63.6	0	0	0	110.3	V13 V15 V83 V90 Y100 L105 N277 V278 Y279	V13-L103 HydrophobicContact CB-CD1 4.1Å; V13-L103 HydrophobicContact CG1-CD1 3.96Å; V13-L103 CarbonylContact O-C 3.58Å; V13-L103 WeakPolarHBondContact O-CA 3.48Å; V15-L103 HydrophobicContact CG2-CD1 3.77Å; V83-L103 HydrophobicContact CG1-CD2 3.44Å; V83-L103 VanDerWaalsContact CG1-CD2 3.44Å; V90-L103 HydrophobicContact CG2-CD1 3.89Å; Y100-L103 HydrophobicContact CD1-CB 4.35Å; Y100-L103 HydrophobicContact CD1-CD1 4.47Å; Y100-L103 HydrophobicContact CD2-CB 3.84Å; Y100-L103 HydrophobicContact CE1-CB 4.12Å; Y100-L103 HydrophobicContact CE1-CD1 4.38Å; Y100-L103 HydrophobicContact CE1-CD2 3.89Å; Y100-L103 HydrophobicContact CE1-CG 4.37Å; Y100-L103 HydrophobicContact CE2-CB 3.6Å; Y100-L103 HydrophobicContact CE2-CD2 4.42Å; Y100-L103 HydrophobicContact CG-CB 4.2Å; Y100-L103 WeakPolarHBondContact OH-CD2 3.45Å; L103-L105 HydrophobicContact CD1-CD2 4.23Å; L103-L105 HydrophobicContact CD2-CD1 4.38Å; L103-L105 HydrophobicContact CD2-CD2 3.9Å; L103-L105 HydrophobicContact CD2-CG 4.02Å; L103-L105 HydrophobicContact CG-CD2 4.11Å; L103-L105 HydrophobicContact CG-CG 4.08Å; L103-N277 PolarHBondContact N-O 3.19Å; L103-V278 HydrophobicContact CB-CG1 4.29Å; L103-V278 HydrophobicContact CB-CG2 4.3Å; L103-V278 HydrophobicContact CD2-CG1 4.01Å; L103-V278 HydrophobicContact CG-CG1 4.29Å; L103-V278 CarbonylContact O-C 3.59Å; L103-V278 WeakPolarHBondContact O-CA 3.26Å; L103-Y279 PolarHBondContact O-N 2.84Å
104	I	98.9	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	110.3	169.2	-49.6	-179.4	0	0	0	108.3	V12 V13 V14 V15 A24 L28 C106 V281 A303 V304 I307	V12-I104 HydrophobicContact CG1-CD1 4.08Å; V12-I104 HydrophobicContact CG1-CG1 4.1Å; V13-I104 PolarHBondContact O-N 3.31Å; V14-I104 WeakPolarHBondContact CA-O 3.36Å; V14-I104 HydrophobicContact CG1-CB 4.45Å; V14-I104 HydrophobicContact CG2-CB 4.35Å; V14-I104 HydrophobicContact CG2-CD1 4.24Å; V15-I104 PolarHBondContact N-O 2.89Å; A24-I104 HydrophobicContact CB-CD1 3.99Å; L28-I104 HydrophobicContact CD1-CD1 4.45Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å; I104-V281 HydrophobicContact CG2-CB 4.13Å; I104-V281 HydrophobicContact CG2-CG2 3.65Å; I104-A303 HydrophobicContact CD1-CB 4.49Å; I104-V304 HydrophobicContact CD1-CG2 4.07Å; I104-I307 HydrophobicContact CD1-CD1 3.73Å; I104-I307 HydrophobicContact CG1-CD1 3.86Å
105	L	98.9	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.9	174.5	-65.6	173.6	0	0	0	109.5	V15 V83 L103 Y250 L254 L264 V278 Y279 A280 V281 C284	V15-L105 HydrophobicContact CB-CD2 4.11Å; V15-L105 HydrophobicContact CG2-CD2 4.31Å; V83-L105 HydrophobicContact CG2-CD2 4.16Å; L103-L105 HydrophobicContact CD1-CD2 4.23Å; L103-L105 HydrophobicContact CD2-CD1 4.38Å; L103-L105 HydrophobicContact CD2-CD2 3.9Å; L103-L105 HydrophobicContact CD2-CG 4.02Å; L103-L105 HydrophobicContact CG-CD2 4.11Å; L103-L105 HydrophobicContact CG-CG 4.08Å; L105-Y250 HydrophobicContact CD1-CD1 4.09Å; L105-Y250 HydrophobicContact CD1-CE1 4.43Å; L105-Y250 HydrophobicContact CD1-CG 4.39Å; L105-Y250 HydrophobicContact CD2-CD1 4.22Å; L105-L254 HydrophobicContact CD1-CD1 3.98Å; L105-L264 HydrophobicContact CB-CD1 4.28Å; L105-L264 HydrophobicContact CD1-CD1 3.5Å; L105-L264 VanDerWaalsContact CD1-CD1 3.5Å; L105-V278 HydrophobicContact CD1-CG1 4.07Å; L105-V278 HydrophobicContact CG-CG1 4.49Å; L105-Y279 PolarHBondContact N-O 2.9Å; L105-A280 WeakPolarHBondContact O-CA 3.43Å; L105-V281 PolarHBondContact O-N 3.19Å; L105-C284 PolarHBondContact O-SG 2.78Å
106	C	98.1	Very high	96.8	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.068	18%	0.175	C	C	.	.			trans	-125.8	34.3	-179.5	-66.4	0	0	0	0	110.8	V15 G16 G21 I104 G108 V281	V15-C106 CarbonylContact O-C 3.57Å; V15-C106 VanDerWaalsContact O-CA 3.24Å; V15-C106 WeakPolarHBondContact O-CA 3.4Å; V15-C106 WeakPolarHBondContact O-CB 3.32Å; V15-C106 PolarHBondContact O-N 3.33Å; G16-C106 VanDerWaalsContact O-CB 3.26Å; G16-C106 WeakPolarHBondContact O-CB 3.21Å; G21-C106 VanDerWaalsContact CA-SG 3.58Å; G21-C106 PolarHBondContact N-SG 3.2Å; G21-C106 VanDerWaalsContact N-SG 3.45Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å; C106-G108 PolarHBondContact O-N 2.93Å; C106-V281 VanDerWaalsContact SG-CB 3.59Å
107	T	97.2	Very high	96.6	Very high	26 Å²	26	27.7 Å²	27.7	16%	0.16	15%	0.154	C	C	.	.			trans	-68.1	-19	-169.1	57.3	0	0	0	0	113.6	V15 N246 Y250 C284	V15-T107 HydrophobicContact CG1-CG2 3.94Å; V15-T107 PolarHBondContact O-N 2.87Å; T107-N246 VanDerWaalsContact CB-O 3.23Å; T107-N246 WeakPolarHBondContact CB-O 3.35Å; T107-N246 WeakPolarHBondContact O-CB 3.35Å; T107-N246 PolarHBondContact O-ND2 3.15Å; T107-N246 PolarHBondContact OG1-O 3.45Å; T107-Y250 HydrophobicContact CG2-CD1 4.49Å; T107-Y250 HydrophobicContact CG2-CE1 3.89Å; T107-Y250 PolarHBondContact OG1-OH 2.84Å; T107-C284 WeakPolarHBondContact OG1-CB 3.38Å
108	G	96.3	Very high	96	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	13%	0.134	C	C	.	.			trans	63.2	-142.9	174.3	0	0	0	0	0	113	C106 N246	C106-G108 PolarHBondContact O-N 2.93Å; G108-N246 PolarHBondContact O-N 3.13Å
109	T	95.4	Very high	95.4	Very high	15 Å²	15	27 Å²	27	9%	0.092	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.4	-177.4	45.6	0	0	0	0	112.1	K116 N118 M243 K244 I245 N246 D283	T109-K116 WeakPolarHBondContact OG1-CE 3.43Å; T109-K116 PolarHBondContact OG1-NZ 3.06Å; T109-N118 PolarHBondContact O-ND2 3.17Å; T109-M243 WeakPolarHBondContact OG1-CE 3.44Å; T109-K244 CarbonylContact C-O 3.57Å; T109-K244 WeakPolarHBondContact CA-O 3.45Å; T109-K244 WeakPolarHBondContact CB-O 3.45Å; T109-I245 HydrophobicContact CG2-CD1 3.75Å; T109-N246 VanDerWaalsContact C-ND2 3.28Å; T109-D283 HydrophobicContact CG2-CB 3.68Å; T109-D283 PolarHBondContact OG1-OD2 2.88Å
110	D	93	Very high	94.7	Very high	67 Å²	67	25.2 Å²	25.2	36%	0.358	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	162.9	161.7	-147.3	1	0	0	0	112	N118 M243 K244 N246	D110-N118 WeakPolarHBondContact CA-ND2 3.33Å; D110-N118 PolarHBondContact OD1-ND2 2.88Å; D110-M243 CarbonylContact O-C 3.54Å; D110-M243 VanDerWaalsContact O-CA 3.28Å; D110-M243 WeakPolarHBondContact O-CA 3.45Å; D110-M243 WeakPolarHBondContact O-CE 3.39Å; D110-K244 PolarHBondContact N-O 3Å; D110-K244 PolarHBondContact O-N 3.09Å; D110-N246 WeakPolarHBondContact CB-OD1 3.4Å; D110-N246 PolarHBondContact N-ND2 2.8Å
111	G	93.9	Very high	94.2	Very high	20 Å²	20	25.6 Å²	25.6	21%	0.206	15%	0.154	C	C	.	.			trans	175.2	-177	177.2	0	0	0	0	0	112.5
112	P	95.6	Very high	94	Very high	36 Å²	36	26.4 Å²	26.4	23%	0.234	16%	0.16	C	C	.	.			trans	-66.3	145.3	-177.8	-19.9	31.6	0	0	0	113.2	G115 K116 C239 T241	P112-G115 PolarHBondContact O-N 3.41Å; P112-K116 PolarHBondContact O-N 3.3Å; P112-K116 VanDerWaalsContact O-N 3.1Å; P112-C239 HydrophobicContact CB-CB 4.16Å; P112-C239 WeakPolarHBondContact CB-O 3.34Å; P112-C239 HydrophobicContact CG-CB 4.14Å; P112-T241 WeakPolarHBondContact CD-O 3.37Å; P112-T241 WeakPolarHBondContact CG-O 3.41Å
113	F	96.8	Very high	93.9	Very high	24 Å²	24	28.3 Å²	28.3	11%	0.105	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	143.6	160.3	-177.3	-92.2	0	0	0	109.2	K116 Y117 K129 Y130 I133 N216	F113-K116 WeakPolarHBondContact CA-O 3.45Å; F113-Y117 HydrophobicContact CD2-CD2 4.16Å; F113-Y117 HydrophobicContact CE2-CD2 4.17Å; F113-K129 HydrophobicContact CD2-CD 4.29Å; F113-K129 HydrophobicContact CE1-CG 4.36Å; F113-K129 HydrophobicContact CE2-CD 4.07Å; F113-K129 HydrophobicContact CE2-CG 4.1Å; F113-K129 HydrophobicContact CZ-CD 4.29Å; F113-K129 HydrophobicContact CZ-CG 3.89Å; F113-Y130 HydrophobicContact CE2-CD1 4.12Å; F113-Y130 HydrophobicContact CE2-CD2 4.28Å; F113-Y130 AromaticContact CE2-CE1 3.76Å; F113-Y130 HydrophobicContact CE2-CE1 3.76Å; F113-Y130 AromaticContact CE2-CE2 3.93Å; F113-Y130 HydrophobicContact CE2-CE2 3.93Å; F113-Y130 HydrophobicContact CE2-CG 4.36Å; F113-Y130 AromaticContact CE2-CZ 3.64Å; F113-Y130 AromaticContact CZ-CD1 3.93Å; F113-Y130 HydrophobicContact CZ-CD1 3.93Å; F113-Y130 AromaticContact CZ-CE1 3.94Å; F113-Y130 HydrophobicContact CZ-CE1 3.94Å; F113-Y130 HydrophobicContact CZ-CG 4.27Å; F113-I133 HydrophobicContact CE1-CB 3.73Å; F113-I133 HydrophobicContact CE1-CG1 4.02Å; F113-I133 HydrophobicContact CE1-CG2 3.61Å; F113-I133 HydrophobicContact CZ-CB 4.26Å; F113-I133 HydrophobicContact CZ-CG2 3.67Å; F113-N216 PolarHBondContact O-ND2 3.3Å; F113-N216 PolarHBondContact O-OD1 3.14Å
114	P	96.6	Very high	93.8	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-9.2	8.9	32.3	-34.7	0	0	0	116.1	A50 L51 A54 K116 Y130 M155 I238	A50-P114 WeakPolarHBondContact CB-O 3.23Å; L51-P114 HydrophobicContact CD2-CG 4.33Å; A54-P114 HydrophobicContact CB-CB 3.44Å; A54-P114 VanDerWaalsContact CB-CB 3.44Å; A54-P114 HydrophobicContact CB-CG 3.68Å; P114-K116 VanDerWaalsContact C-N 3.28Å; P114-K116 PolarHBondContact O-N 3.42Å; P114-Y130 HydrophobicContact CB-CE1 3.93Å; P114-Y130 PolarHBondContact O-OH 3.44Å; P114-M155 HydrophobicContact CG-CE 4.39Å; P114-M155 HydrophobicContact CG-SD 4.21Å; P114-I238 HydrophobicContact CG-CG2 4.24Å
115	G	94.9	Very high	93.7	Very high	15 Å²	15	36.7 Å²	36.7	16%	0.155	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.3	-175.6	0	0	0	0	0	114.3	P112	P112-G115 PolarHBondContact O-N 3.41Å
116	K	93.6	Very high	93.6	Very high	34 Å²	34	36.7 Å²	36.7	15%	0.148	21%	0.211	C	C	.	.			trans	-128.5	146.7	173.7	-66.4	-66.9	-172	168.7	0	111.4	N47 T109 P112 F113 P114 M243	N47-K116 PolarHBondContact ND2-NZ 2.82Å; T109-K116 WeakPolarHBondContact OG1-CE 3.43Å; T109-K116 PolarHBondContact OG1-NZ 3.06Å; P112-K116 PolarHBondContact O-N 3.3Å; P112-K116 VanDerWaalsContact O-N 3.1Å; F113-K116 WeakPolarHBondContact CA-O 3.45Å; P114-K116 VanDerWaalsContact C-N 3.28Å; P114-K116 PolarHBondContact O-N 3.42Å; K116-M243 HydrophobicContact CD-CE 4.1Å; K116-M243 HydrophobicContact CG-CE 3.76Å; K116-M243 HydrophobicContact CG-SD 4.37Å
117	Y	92.5	Very high	93.6	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.039	21%	0.214	C	C	.	.			trans	-137.2	99.7	171.5	-174.7	-81.4	0	0	0	107.8	F113 M119 A121 A126 K129	F113-Y117 HydrophobicContact CD2-CD2 4.16Å; F113-Y117 HydrophobicContact CE2-CD2 4.17Å; Y117-M119 HydrophobicContact CE1-CB 4.04Å; Y117-M119 HydrophobicContact CE2-SD 4.39Å; Y117-A121 WeakPolarHBondContact OH-CB 3.48Å; Y117-A126 HydrophobicContact CD1-CB 3.89Å; Y117-A126 HydrophobicContact CD2-CB 4.27Å; Y117-A126 HydrophobicContact CE1-CB 3.41Å; Y117-A126 VanDerWaalsContact CE1-CB 3.41Å; Y117-A126 HydrophobicContact CE2-CB 3.8Å; Y117-A126 HydrophobicContact CG-CB 4.31Å; Y117-A126 WeakPolarHBondContact OH-CA 3.3Å; Y117-K129 HydrophobicContact CD2-CD 4.08Å; Y117-K129 HydrophobicContact CE2-CB 4.26Å; Y117-K129 HydrophobicContact CE2-CD 3.63Å
118	N	84.4	Confident	93.6	Very high	28 Å²	28	40.6 Å²	40.6	15%	0.15	23%	0.227	C	C	.	.			trans	-124	45.8	-175.2	-67.3	-29.1	0	0	0	111.2	L40 T109 D110	L40-N118 VanDerWaalsContact CD1-C 3.49Å; L40-N118 HydrophobicContact CD2-CB 4.42Å; T109-N118 PolarHBondContact O-ND2 3.17Å; D110-N118 WeakPolarHBondContact CA-ND2 3.33Å; D110-N118 PolarHBondContact OD1-ND2 2.88Å
119	M	85.1	Confident	93.7	Very high	96 Å²	96	43.6 Å²	43.6	47%	0.473	24%	0.236	S	C	.	.			trans	-102.9	141.8	177.2	-60.5	-176.1	69.8	0	0	110.6	L40 Y117 A121	L40-M119 WeakPolarHBondContact CD1-O 3.46Å; Y117-M119 HydrophobicContact CE1-CB 4.04Å; Y117-M119 HydrophobicContact CE2-SD 4.39Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 3.41Å
120	V	84.4	Confident	93.8	Very high	84 Å²	84	42.9 Å²	42.9	51%	0.509	23%	0.231	S	C	.	.	S	Bend	trans	-72.4	91.6	170.7	-177.4	0	0	0	0	107.3	L40 R79	L40-V120 HydrophobicContact CB-CG2 4.05Å; L40-V120 HydrophobicContact CD1-CG2 4.38Å; R79-V120 HydrophobicContact CB-CG2 4.32Å
121	A	87.1	Confident	94.1	Very high	19 Å²	19	40.9 Å²	40.9	16%	0.157	22%	0.22	C	C	.	.	S	Bend	trans	-153.4	163.2	-177.1	0	0	0	0	0	110.1	Y117 M119 T125	Y117-A121 WeakPolarHBondContact OH-CB 3.48Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 3.41Å; A121-T125 HydrophobicContact CB-CG2 4.28Å
122	S	94.3	Very high	94.3	Very high	38 Å²	38	43.1 Å²	43.1	27%	0.266	23%	0.227	S	C	.	.			trans	-68	149.6	171	75.7	0	0	0	0	111.1	D42 Q124 T125 A126	D42-S122 VanDerWaalsContact OD2-CA 3.29Å; D42-S122 WeakPolarHBondContact OD2-CA 3.38Å; S122-Q124 PolarHBondContact O-N 3.31Å; S122-T125 WeakPolarHBondContact O-CB 3.4Å; S122-T125 PolarHBondContact O-N 3.43Å; S122-T125 PolarHBondContact OG-N 2.86Å; S122-T125 VanDerWaalsContact OG-N 3.13Å; S122-T125 PolarHBondContact OG-OG1 3.44Å; S122-A126 PolarHBondContact O-N 3.13Å
123	Y	95.9	Very high	94.5	Very high	57 Å²	57	41.6 Å²	41.6	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-26.4	175.7	76.1	-86	0	0	0	112.5	D42 A43 F64 P66 A126 I127	D42-Y123 WeakPolarHBondContact OD1-CB 3.49Å; D42-Y123 PolarHBondContact OD1-N 2.92Å; D42-Y123 PolarHBondContact OD2-N 3.03Å; A43-Y123 HydrophobicContact CB-CD1 4.19Å; A43-Y123 HydrophobicContact CB-CG 3.95Å; F64-Y123 HydrophobicContact CB-CD2 4.03Å; F64-Y123 HydrophobicContact CB-CG 4.39Å; P66-Y123 HydrophobicContact CB-CE1 4.41Å; P66-Y123 HydrophobicContact CG-CD1 4.33Å; P66-Y123 HydrophobicContact CG-CE1 3.82Å; P66-Y123 HydrophobicContact CG-CE2 4.29Å; Y123-A126 WeakPolarHBondContact O-CB 3.4Å; Y123-A126 PolarHBondContact O-N 2.99Å; Y123-I127 HydrophobicContact CD2-CD1 3.74Å; Y123-I127 HydrophobicContact CE2-CD1 4.17Å; Y123-I127 VanDerWaalsContact O-CG1 3.27Å; Y123-I127 WeakPolarHBondContact O-CG1 3.36Å; Y123-I127 PolarHBondContact O-N 3.49Å
124	Q	96.5	Very high	94.6	Very high	99 Å²	99	40.5 Å²	40.5	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-40.4	171.7	-64.8	90	-18.4	0	0	111.8	S122 A126 I127 Q128	S122-Q124 PolarHBondContact O-N 3.31Å; Q124-A126 VanDerWaalsContact C-N 3.28Å; Q124-A126 PolarHBondContact O-N 2.97Å; Q124-I127 PolarHBondContact O-N 3.46Å; Q124-Q128 PolarHBondContact O-N 3.19Å
125	T	96.9	Very high	94.7	Very high	77 Å²	77	45.6 Å²	45.6	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-38.4	171.9	-53	0	0	0	0	111.1	A121 S122 Q128 K129	A121-T125 HydrophobicContact CB-CG2 4.28Å; S122-T125 WeakPolarHBondContact O-CB 3.4Å; S122-T125 PolarHBondContact O-N 3.43Å; S122-T125 PolarHBondContact OG-N 2.86Å; S122-T125 VanDerWaalsContact OG-N 3.13Å; S122-T125 PolarHBondContact OG-OG1 3.44Å; T125-Q128 PolarHBondContact O-N 3.39Å; T125-K129 PolarHBondContact O-N 3.26Å
126	A	96.6	Very high	94.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-46.1	175.9	0	0	0	0	0	112.2	F64 Y117 S122 Y123 Q124 Q128 K129 Y130	F64-A126 HydrophobicContact CD1-CB 4.44Å; F64-A126 HydrophobicContact CE1-CB 3.64Å; F64-A126 HydrophobicContact CE2-CB 4.02Å; F64-A126 HydrophobicContact CZ-CB 3.4Å; F64-A126 VanDerWaalsContact CZ-CB 3.4Å; Y117-A126 HydrophobicContact CD1-CB 3.89Å; Y117-A126 HydrophobicContact CD2-CB 4.27Å; Y117-A126 HydrophobicContact CE1-CB 3.41Å; Y117-A126 VanDerWaalsContact CE1-CB 3.41Å; Y117-A126 HydrophobicContact CE2-CB 3.8Å; Y117-A126 HydrophobicContact CG-CB 4.31Å; Y117-A126 WeakPolarHBondContact OH-CA 3.3Å; S122-A126 PolarHBondContact O-N 3.13Å; Y123-A126 WeakPolarHBondContact O-CB 3.4Å; Y123-A126 PolarHBondContact O-N 2.99Å; Q124-A126 VanDerWaalsContact C-N 3.28Å; Q124-A126 PolarHBondContact O-N 2.97Å; A126-Q128 VanDerWaalsContact C-N 3.34Å; A126-Q128 PolarHBondContact O-N 3.47Å; A126-K129 WeakPolarHBondContact O-CB 3.41Å; A126-K129 PolarHBondContact O-N 3.2Å; A126-Y130 WeakPolarHBondContact O-CD2 3.29Å; A126-Y130 PolarHBondContact O-N 3.04Å; A126-Y130 VanDerWaalsContact O-N 3.13Å
127	I	97.9	Very high	95.1	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-47.5	173.9	-72.2	165.3	0	0	0	110.2	A60 Q61 F64 Y123 Q124 K129 Y130 E131	A60-I127 HydrophobicContact CB-CB 4.49Å; A60-I127 HydrophobicContact CB-CG1 4.39Å; A60-I127 HydrophobicContact CB-CG2 4.22Å; Q61-I127 HydrophobicContact CG-CG2 4.11Å; F64-I127 HydrophobicContact CB-CD1 4.5Å; F64-I127 HydrophobicContact CD2-CD1 4.37Å; F64-I127 HydrophobicContact CD2-CG1 3.65Å; F64-I127 HydrophobicContact CE2-CG1 4.17Å; F64-I127 HydrophobicContact CG-CG1 4.38Å; Y123-I127 HydrophobicContact CD2-CD1 3.74Å; Y123-I127 HydrophobicContact CE2-CD1 4.17Å; Y123-I127 VanDerWaalsContact O-CG1 3.27Å; Y123-I127 WeakPolarHBondContact O-CG1 3.36Å; Y123-I127 PolarHBondContact O-N 3.49Å; Q124-I127 PolarHBondContact O-N 3.46Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 2.87Å; I127-Y130 WeakPolarHBondContact O-CA 3.21Å; I127-Y130 WeakPolarHBondContact O-CB 3.47Å; I127-Y130 PolarHBondContact O-N 3.18Å; I127-E131 PolarHBondContact O-N 2.92Å
128	Q	98.3	Very high	95.4	Very high	94 Å²	94	50 Å²	50	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-40.2	178.5	-173.6	56.9	55.6	0	0	112	Q124 T125 A126 Y130 E131 D132	Q124-Q128 PolarHBondContact O-N 3.19Å; T125-Q128 PolarHBondContact O-N 3.39Å; A126-Q128 VanDerWaalsContact C-N 3.34Å; A126-Q128 PolarHBondContact O-N 3.47Å; Q128-Y130 VanDerWaalsContact C-N 3.28Å; Q128-Y130 PolarHBondContact O-N 3.25Å; Q128-E131 PolarHBondContact O-N 3.13Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; Q128-D132 PolarHBondContact NE2-OD1 2.84Å; Q128-D132 PolarHBondContact O-N 2.91Å
129	K	97.9	Very high	96	Very high	78 Å²	78	52 Å²	52	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-35.5	175.1	-169	176.2	-173.2	143.9	0	112.6	F113 Y117 T125 A126 I127 D132 I133	F113-K129 HydrophobicContact CD2-CD 4.29Å; F113-K129 HydrophobicContact CE1-CG 4.36Å; F113-K129 HydrophobicContact CE2-CD 4.07Å; F113-K129 HydrophobicContact CE2-CG 4.1Å; F113-K129 HydrophobicContact CZ-CD 4.29Å; F113-K129 HydrophobicContact CZ-CG 3.89Å; Y117-K129 HydrophobicContact CD2-CD 4.08Å; Y117-K129 HydrophobicContact CE2-CB 4.26Å; Y117-K129 HydrophobicContact CE2-CD 3.63Å; T125-K129 PolarHBondContact O-N 3.26Å; A126-K129 WeakPolarHBondContact O-CB 3.41Å; A126-K129 PolarHBondContact O-N 3.2Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 2.87Å; K129-D132 PolarHBondContact O-N 2.86Å; K129-I133 PolarHBondContact O-N 3.05Å; K129-I133 VanDerWaalsContact O-N 3.14Å
130	Y	98.6	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-41.8	172.2	-82.5	-74.8	0	0	0	112.1	H45 A50 A53 A54 A60 F64 F113 P114 A126 I127 Q128 D132 I133 V134	H45-Y130 AromaticContact CE1-CZ 3.96Å; H45-Y130 PolarHBondContact CE1-OH 3.47Å; A50-Y130 HydrophobicContact CB-CE1 4.26Å; A50-Y130 WeakPolarHBondContact CB-OH 3.3Å; A50-Y130 WeakPolarHBondContact O-CE1 3.25Å; A53-Y130 HydrophobicContact CB-CD1 3.71Å; A53-Y130 HydrophobicContact CB-CE1 4.07Å; A53-Y130 HydrophobicContact CB-CG 4.1Å; A54-Y130 HydrophobicContact CB-CD1 4.18Å; A54-Y130 HydrophobicContact CB-CE1 4.33Å; A60-Y130 VanDerWaalsContact CB-CB 3.45Å; A60-Y130 HydrophobicContact CB-CD2 4.29Å; A60-Y130 HydrophobicContact CB-CG 4.02Å; F64-Y130 AromaticContact CE2-CD2 3.9Å; F64-Y130 HydrophobicContact CE2-CD2 3.9Å; F64-Y130 AromaticContact CE2-CE2 3.89Å; F64-Y130 HydrophobicContact CE2-CE2 3.89Å; F64-Y130 HydrophobicContact CZ-CD2 4.25Å; F64-Y130 AromaticContact CZ-CE2 3.87Å; F64-Y130 HydrophobicContact CZ-CE2 3.87Å; F113-Y130 HydrophobicContact CE2-CD1 4.12Å; F113-Y130 HydrophobicContact CE2-CD2 4.28Å; F113-Y130 AromaticContact CE2-CE1 3.76Å; F113-Y130 HydrophobicContact CE2-CE1 3.76Å; F113-Y130 AromaticContact CE2-CE2 3.93Å; F113-Y130 HydrophobicContact CE2-CE2 3.93Å; F113-Y130 HydrophobicContact CE2-CG 4.36Å; F113-Y130 AromaticContact CE2-CZ 3.64Å; F113-Y130 AromaticContact CZ-CD1 3.93Å; F113-Y130 HydrophobicContact CZ-CD1 3.93Å; F113-Y130 AromaticContact CZ-CE1 3.94Å; F113-Y130 HydrophobicContact CZ-CE1 3.94Å; F113-Y130 HydrophobicContact CZ-CG 4.27Å; P114-Y130 HydrophobicContact CB-CE1 3.93Å; P114-Y130 PolarHBondContact O-OH 3.44Å; A126-Y130 WeakPolarHBondContact O-CD2 3.29Å; A126-Y130 PolarHBondContact O-N 3.04Å; A126-Y130 VanDerWaalsContact O-N 3.13Å; I127-Y130 WeakPolarHBondContact O-CA 3.21Å; I127-Y130 WeakPolarHBondContact O-CB 3.47Å; I127-Y130 PolarHBondContact O-N 3.18Å; Q128-Y130 VanDerWaalsContact C-N 3.28Å; Q128-Y130 PolarHBondContact O-N 3.25Å; Y130-D132 PolarHBondContact O-N 3.39Å; Y130-I133 HydrophobicContact CD1-CG2 4.34Å; Y130-I133 WeakPolarHBondContact O-CG2 3.32Å; Y130-I133 PolarHBondContact O-N 3.13Å; Y130-V134 VanDerWaalsContact O-CG2 3.29Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 2.8Å
131	E	98.5	Very high	97.3	Very high	26 Å²	26	45.7 Å²	45.7	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-32.5	173.6	-63.1	-55.2	144	0	0	112.3	S57 G58 I127 Q128 V134 K135	S57-E131 PolarHBondContact OG-OE2 2.67Å; G58-E131 WeakPolarHBondContact CA-OE1 3.37Å; G58-E131 PolarHBondContact N-OE1 3.5Å; G58-E131 PolarHBondContact N-OE2 2.84Å; G58-E131 VanDerWaalsContact N-OE2 3.15Å; I127-E131 PolarHBondContact O-N 2.92Å; Q128-E131 PolarHBondContact O-N 3.13Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; E131-V134 PolarHBondContact O-N 3.02Å; E131-K135 WeakPolarHBondContact O-CG 3.27Å; E131-K135 PolarHBondContact O-N 3.14Å
132	D	98.5	Very high	97.9	Very high	66 Å²	66	45.4 Å²	45.4	35%	0.353	25%	0.246	S	C	.	.	H	α-helix	trans	-70.4	-45.3	177.5	-63.8	-25.6	0	0	0	111.6	Q128 K129 Y130 V134 K135 E136	Q128-D132 PolarHBondContact NE2-OD1 2.84Å; Q128-D132 PolarHBondContact O-N 2.91Å; K129-D132 PolarHBondContact O-N 2.86Å; Y130-D132 PolarHBondContact O-N 3.39Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 2.83Å; D132-K135 WeakPolarHBondContact O-CB 3.33Å; D132-K135 PolarHBondContact O-N 2.87Å; D132-K135 VanDerWaalsContact O-N 3.08Å; D132-K135 IonicContact OD1-NZ 3.74Å; D132-K135 PolarHBondContact OD1-NZ 3.06Å; D132-E136 WeakPolarHBondContact O-CG 3.5Å; D132-E136 PolarHBondContact O-N 3.43Å; D132-E136 VanDerWaalsContact O-N 3.08Å
133	I	98.6	Very high	98.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-29.7	174.4	-173.5	58.7	0	0	0	112.7	A54 F113 K129 Y130 K135 E136 V137 N216	A54-I133 HydrophobicContact CB-CG1 4.47Å; A54-I133 HydrophobicContact CB-CG2 3.9Å; F113-I133 HydrophobicContact CE1-CB 3.73Å; F113-I133 HydrophobicContact CE1-CG1 4.02Å; F113-I133 HydrophobicContact CE1-CG2 3.61Å; F113-I133 HydrophobicContact CZ-CB 4.26Å; F113-I133 HydrophobicContact CZ-CG2 3.67Å; K129-I133 PolarHBondContact O-N 3.05Å; K129-I133 VanDerWaalsContact O-N 3.14Å; Y130-I133 HydrophobicContact CD1-CG2 4.34Å; Y130-I133 WeakPolarHBondContact O-CG2 3.32Å; Y130-I133 PolarHBondContact O-N 3.13Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 3.36Å; I133-E136 HydrophobicContact CD1-CB 4.01Å; I133-E136 PolarHBondContact O-N 3.48Å; I133-V137 HydrophobicContact CD1-CG2 4.47Å; I133-V137 HydrophobicContact CG1-CG2 4.4Å; I133-V137 WeakPolarHBondContact O-CG2 3.5Å; I133-V137 PolarHBondContact O-N 3.45Å; I133-N216 HydrophobicContact CD1-CB 3.7Å; I133-N216 WeakPolarHBondContact CD1-O 3.32Å
134	V	98.8	Very high	98.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-44.1	171.2	169	0	0	0	0	110.3	A53 Y130 E131 D132 E136 V137 Q138	A53-V134 WeakPolarHBondContact O-CG2 3.27Å; Y130-V134 VanDerWaalsContact O-CG2 3.29Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 2.8Å; E131-V134 PolarHBondContact O-N 3.02Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 2.83Å; V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.43Å; V134-V137 PolarHBondContact O-N 2.88Å; V134-Q138 HydrophobicContact CG1-CG 4.43Å; V134-Q138 WeakPolarHBondContact O-CB 3.3Å; V134-Q138 VanDerWaalsContact O-CG 3.23Å; V134-Q138 WeakPolarHBondContact O-CG 3.27Å; V134-Q138 PolarHBondContact O-N 2.79Å
135	K	98.8	Very high	98.4	Very high	108 Å²	108	36.2 Å²	36.2	47%	0.47	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-39.8	175.9	-63.1	165.5	-165.2	157.6	0	111.8	E131 D132 I133 Q138 A139	E131-K135 WeakPolarHBondContact O-CG 3.27Å; E131-K135 PolarHBondContact O-N 3.14Å; D132-K135 WeakPolarHBondContact O-CB 3.33Å; D132-K135 PolarHBondContact O-N 2.87Å; D132-K135 VanDerWaalsContact O-N 3.08Å; D132-K135 IonicContact OD1-NZ 3.74Å; D132-K135 PolarHBondContact OD1-NZ 3.06Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 3.36Å; K135-Q138 WeakPolarHBondContact O-CB 3.33Å; K135-Q138 PolarHBondContact O-N 2.95Å; K135-A139 WeakPolarHBondContact O-CB 3.39Å; K135-A139 PolarHBondContact O-N 3.24Å
136	E	98.8	Very high	98.4	Very high	56 Å²	56	33.1 Å²	33.1	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-47.4	175.6	-61.3	-58.5	155.9	0	0	111.2	D132 I133 V134 Q138 A139 A140 T218 L236	D132-E136 WeakPolarHBondContact O-CG 3.5Å; D132-E136 PolarHBondContact O-N 3.43Å; D132-E136 VanDerWaalsContact O-N 3.08Å; I133-E136 HydrophobicContact CD1-CB 4.01Å; I133-E136 PolarHBondContact O-N 3.48Å; V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.43Å; E136-Q138 VanDerWaalsContact C-N 3.27Å; E136-Q138 PolarHBondContact O-N 3.08Å; E136-A139 PolarHBondContact O-N 3.25Å; E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 2.86Å; E136-T218 VanDerWaalsContact CA-OG1 3.3Å; E136-T218 WeakPolarHBondContact CA-OG1 3.44Å; E136-T218 PolarHBondContact O-OG1 3.33Å; E136-T218 WeakPolarHBondContact OE2-CA 3.24Å; E136-T218 WeakPolarHBondContact OE2-CB 3.3Å; E136-T218 PolarHBondContact OE2-N 2.92Å; E136-T218 PolarHBondContact OE2-OG1 2.97Å; E136-L236 HydrophobicContact CB-CD1 4.42Å
137	V	98.7	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-39	175.5	174.3	0	0	0	0	111.3	V55 I133 V134 Y163 K166 L236 I238	V55-V137 HydrophobicContact CG1-CG1 4.38Å; I133-V137 HydrophobicContact CD1-CG2 4.47Å; I133-V137 HydrophobicContact CG1-CG2 4.4Å; I133-V137 WeakPolarHBondContact O-CG2 3.5Å; I133-V137 PolarHBondContact O-N 3.45Å; V134-V137 PolarHBondContact O-N 2.88Å; V137-Y163 HydrophobicContact CG1-CD2 3.9Å; V137-Y163 HydrophobicContact CG1-CE2 3.59Å; V137-K166 WeakPolarHBondContact O-CE 3.29Å; V137-K166 PolarHBondContact O-NZ 3.35Å; V137-L236 HydrophobicContact CB-CD2 4.3Å; V137-L236 HydrophobicContact CG2-CD2 3.65Å; V137-I238 HydrophobicContact CG2-CD1 4.26Å
138	Q	98.5	Very high	98.5	Very high	97 Å²	97	32.1 Å²	32.1	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-64.4	-44.7	176.1	-74.4	171.3	-8.8	0	0	112.2	V134 K135 E136 Y163 K166	V134-Q138 HydrophobicContact CG1-CG 4.43Å; V134-Q138 WeakPolarHBondContact O-CB 3.3Å; V134-Q138 VanDerWaalsContact O-CG 3.23Å; V134-Q138 WeakPolarHBondContact O-CG 3.27Å; V134-Q138 PolarHBondContact O-N 2.79Å; K135-Q138 WeakPolarHBondContact O-CB 3.33Å; K135-Q138 PolarHBondContact O-N 2.95Å; E136-Q138 VanDerWaalsContact C-N 3.27Å; E136-Q138 PolarHBondContact O-N 3.08Å; Q138-Y163 HydrophobicContact CG-CE1 3.94Å; Q138-Y163 WeakPolarHBondContact CG-OH 3.31Å; Q138-Y163 PolarHBondContact NE2-OH 3.15Å; Q138-K166 PolarHBondContact O-NZ 2.72Å
139	A	98.4	Very high	98.5	Very high	68 Å²	68	28.7 Å²	28.7	56%	0.562	17%	0.167	S	C	*	.	H	α-helix	trans	-69.6	-30.5	-178.5	0	0	0	0	0	113.6	K135 E136 T218	K135-A139 WeakPolarHBondContact O-CB 3.39Å; K135-A139 PolarHBondContact O-N 3.24Å; E136-A139 PolarHBondContact O-N 3.25Å; A139-T218 HydrophobicContact CB-CG2 4.23Å
140	A	98.6	Very high	98.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	16%	0.155	C	C	.	.			trans	-70	129.5	179.4	0	0	0	0	0	112.4	E136 V143 K166 T218 D235 L236	E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 2.86Å; A140-V143 HydrophobicContact CB-CG2 4.22Å; A140-K166 PolarHBondContact O-NZ 2.8Å; A140-T218 HydrophobicContact CB-CG2 4.02Å; A140-D235 HydrophobicContact CB-CB 3.99Å; A140-L236 HydrophobicContact CB-CB 3.64Å; A140-L236 HydrophobicContact CB-CD2 4.25Å
141	G	97.9	Very high	98.3	Very high	47 Å²	47	28.2 Å²	28.2	49%	0.485	17%	0.171	S	C	.	.	S	Bend	trans	-79.5	-27.8	170.3	0	0	0	0	0	112.5	K166 K167 D235	G141-K166 WeakPolarHBondContact O-CG 3.33Å; G141-K167 PolarHBondContact O-N 3.2Å; G141-D235 VanDerWaalsContact CA-OD2 3.25Å; G141-D235 WeakPolarHBondContact CA-OD2 3.49Å; G141-D235 PolarHBondContact N-OD2 2.82Å
142	S	98.8	Very high	98.3	Very high	14 Å²	14	27 Å²	27	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.5	-179.7	56.4	0	0	0	0	112.1	K167 A234 D235 L236	S142-K167 CarbonylContact C-O 3.44Å; S142-K167 VanDerWaalsContact CA-O 3.31Å; S142-K167 WeakPolarHBondContact CA-O 2.78Å; S142-A234 WeakPolarHBondContact OG-CA 3.5Å; S142-D235 PolarHBondContact N-OD2 2.86Å; S142-D235 WeakPolarHBondContact O-CA 3.29Å; S142-D235 WeakPolarHBondContact O-CB 3.24Å; S142-D235 PolarHBondContact O-N 2.96Å; S142-D235 VanDerWaalsContact OG-CG 3.29Å; S142-D235 PolarHBondContact OG-N 3.01Å; S142-D235 PolarHBondContact OG-OD2 3.13Å; S142-L236 PolarHBondContact O-N 2.82Å; S142-L236 VanDerWaalsContact O-N 3.13Å
143	V	98.9	Very high	98.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128	-179.1	-171.2	0	0	0	0	110.5	A140 V145 I159 K166 K167 V168 I169 L236 I238	A140-V143 HydrophobicContact CB-CG2 4.22Å; V143-V145 HydrophobicContact CG1-CG2 4.44Å; V143-I159 HydrophobicContact CB-CD1 4.44Å; V143-I159 HydrophobicContact CG1-CD1 3.92Å; V143-K166 HydrophobicContact CG2-CD 3.73Å; V143-K166 HydrophobicContact CG2-CG 4.44Å; V143-K167 PolarHBondContact N-O 2.87Å; V143-V168 WeakPolarHBondContact O-CA 3.38Å; V143-I169 PolarHBondContact O-N 3.37Å; V143-L236 CarbonylContact C-O 3.59Å; V143-L236 WeakPolarHBondContact CA-O 3.33Å; V143-L236 HydrophobicContact CG1-CB 4.35Å; V143-L236 HydrophobicContact CG1-CD2 4.25Å; V143-L236 HydrophobicContact CG1-CG 4.3Å; V143-L236 HydrophobicContact CG2-CB 4.3Å; V143-L236 HydrophobicContact CG2-CD2 4.24Å; V143-I238 HydrophobicContact CG1-CD1 4.03Å; V143-I238 HydrophobicContact CG1-CG1 4.13Å
144	L	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.6	166.7	-180	69.6	0	0	0	109.6	V146 I169 I171 V207 I224 A234 L236 V237 I238	L144-V146 HydrophobicContact CD2-CG2 3.92Å; L144-V146 HydrophobicContact CG-CG2 4.01Å; L144-I169 CarbonylContact C-O 3.55Å; L144-I169 WeakPolarHBondContact CA-O 3.4Å; L144-I169 HydrophobicContact CD1-CB 3.89Å; L144-I169 HydrophobicContact CD1-CG2 3.81Å; L144-I171 HydrophobicContact CD1-CB 4.17Å; L144-I171 HydrophobicContact CD1-CG2 3.76Å; L144-I171 HydrophobicContact CD2-CG2 4.47Å; L144-I171 HydrophobicContact CG-CG2 4.27Å; L144-V207 HydrophobicContact CD2-CG2 4.21Å; L144-I224 HydrophobicContact CD2-CB 4.14Å; L144-I224 HydrophobicContact CD2-CD1 4.03Å; L144-I224 HydrophobicContact CD2-CG1 3.71Å; L144-I224 HydrophobicContact CD2-CG2 3.67Å; L144-A234 HydrophobicContact CB-CB 3.79Å; L144-L236 PolarHBondContact N-O 3.18Å; L144-V237 HydrophobicContact CB-CG2 4.32Å; L144-V237 HydrophobicContact CD2-CG1 4.28Å; L144-V237 HydrophobicContact CD2-CG2 4.35Å; L144-V237 WeakPolarHBondContact O-CA 3.33Å; L144-I238 PolarHBondContact O-N 3.47Å
145	V	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.2	169.2	-177.2	0	0	0	0	108.6	V143 M155 A156 I159 V168 I169 L170 I171 I238	V143-V145 HydrophobicContact CG1-CG2 4.44Å; V145-M155 HydrophobicContact CG1-CB 4.34Å; V145-M155 HydrophobicContact CG2-CG 4.47Å; V145-A156 HydrophobicContact CG2-CB 4.29Å; V145-I159 HydrophobicContact CG2-CD1 3.96Å; V145-V168 HydrophobicContact CG2-CG1 4.18Å; V145-I169 PolarHBondContact N-O 2.71Å; V145-L170 HydrophobicContact CB-CD1 3.83Å; V145-L170 HydrophobicContact CG1-CD1 3.63Å; V145-L170 WeakPolarHBondContact O-CA 3.26Å; V145-I171 PolarHBondContact O-N 2.8Å; V145-I238 WeakPolarHBondContact CA-O 3.4Å
146	V	98.7	Very high	98.3	Very high	11 Å²	11	19.4 Å²	19.4	7%	0.067	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.3	-178.1	-175.8	0	0	0	0	109.9	L144 I171 V207 L210 V237 I238 C240	L144-V146 HydrophobicContact CD2-CG2 3.92Å; L144-V146 HydrophobicContact CG-CG2 4.01Å; V146-I171 HydrophobicContact CB-CG2 4.21Å; V146-I171 HydrophobicContact CG1-CG2 4.2Å; V146-I171 HydrophobicContact CG2-CG2 3.98Å; V146-V207 HydrophobicContact CG1-CG2 4.02Å; V146-V207 HydrophobicContact CG2-CG2 3.85Å; V146-L210 HydrophobicContact CG1-CD2 4.32Å; V146-L210 HydrophobicContact CG2-CD1 4.22Å; V146-V237 HydrophobicContact CG2-CG1 3.84Å; V146-I238 PolarHBondContact N-O 2.87Å; V146-C240 WeakPolarHBondContact O-CA 3.48Å; V146-C240 WeakPolarHBondContact O-CB 3.1Å; V146-C240 PolarHBondContact O-N 3.38Å
147	G	98.3	Very high	98.4	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.031	12%	0.117	C	C	.	.			trans	111.5	99.5	174.3	0	0	0	0	0	114.8	G149 G152 I171 T241	G147-G149 PolarHBondContact O-N 2.84Å; G147-G152 VanDerWaalsContact O-CA 3.26Å; G147-G152 WeakPolarHBondContact O-CA 3.37Å; G147-I171 WeakPolarHBondContact CA-O 3.34Å; G147-I171 PolarHBondContact N-O 3.39Å; G147-T241 VanDerWaalsContact CA-CG2 3.45Å
148	G	97.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.118	C	C	.	.			trans	-75.1	30.5	174	0	0	0	0	0	117.4	H172 L177 A178	G148-H172 VanDerWaalsContact N-CG 3.28Å; G148-H172 PolarHBondContact N-ND1 3.28Å; G148-L177 CarbonylContact O-C 3.56Å; G148-L177 WeakPolarHBondContact O-CA 3.4Å; G148-A178 PolarHBondContact O-N 3.31Å
149	G	97.3	Very high	98.4	Very high	22 Å²	22	12.3 Å²	12.3	23%	0.227	10%	0.096	C	C	.	.	S	Bend	trans	-75.3	-177.6	162.2	0	0	0	0	0	111	G147 T151 G152 V153	G147-G149 PolarHBondContact O-N 2.84Å; G149-T151 VanDerWaalsContact C-N 3.31Å; G149-T151 PolarHBondContact O-N 2.68Å; G149-G152 PolarHBondContact O-N 2.71Å; G149-G152 VanDerWaalsContact O-N 3.14Å; G149-V153 WeakPolarHBondContact O-CG2 3.31Å; G149-V153 PolarHBondContact O-N 2.89Å
150	S	96.3	Very high	98.4	Very high	13 Å²	13	10.1 Å²	10.1	9%	0.091	7%	0.074	C	C	.	.	H	α-helix	trans	-53.9	-44	-176.2	-71.1	0	0	0	0	113.5	G152 V153 E154 D179 L328	S150-G152 PolarHBondContact O-N 2.79Å; S150-V153 PolarHBondContact O-N 2.7Å; S150-E154 WeakPolarHBondContact O-CG 3.43Å; S150-E154 PolarHBondContact O-N 3.5Å; S150-D179 WeakPolarHBondContact CB-OD2 3.43Å; S150-D179 VanDerWaalsContact OG-CG 3.31Å; S150-D179 PolarHBondContact OG-OD2 3.24Å; S150-L328 WeakPolarHBondContact OG-CD2 3.32Å
151	T	97.4	Very high	98.4	Very high	54 Å²	54	11 Å²	11	33%	0.331	8%	0.079	S	C	.	.	H	α-helix	trans	-58.5	-47.7	177.3	-52.3	0	0	0	0	113	L51 G149 M155 C240	L51-T151 HydrophobicContact CD1-CG2 4.1Å; L51-T151 VanDerWaalsContact CD1-O 3.27Å; L51-T151 WeakPolarHBondContact CD1-O 3.34Å; L51-T151 HydrophobicContact CD2-CG2 4.01Å; G149-T151 VanDerWaalsContact C-N 3.31Å; G149-T151 PolarHBondContact O-N 2.68Å; T151-M155 VanDerWaalsContact O-CB 3.31Å; T151-M155 WeakPolarHBondContact O-CB 3.49Å; T151-M155 PolarHBondContact O-N 2.97Å; T151-C240 HydrophobicContact CG2-CB 3.98Å
152	G	98.4	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-76.2	-29.4	-178.5	0	0	0	0	0	113.3	G147 G149 S150 M155 A156	G147-G152 VanDerWaalsContact O-CA 3.26Å; G147-G152 WeakPolarHBondContact O-CA 3.37Å; G149-G152 PolarHBondContact O-N 2.71Å; G149-G152 VanDerWaalsContact O-N 3.14Å; S150-G152 PolarHBondContact O-N 2.79Å; G152-M155 PolarHBondContact O-N 2.94Å; G152-A156 WeakPolarHBondContact O-CB 3.5Å; G152-A156 PolarHBondContact O-N 2.77Å
153	V	98.8	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-50.4	170.1	168.6	0	0	0	0	110.5	G149 S150 A157 L170 L177 A190 L194 L328 M330	G149-V153 WeakPolarHBondContact O-CG2 3.31Å; G149-V153 PolarHBondContact O-N 2.89Å; S150-V153 PolarHBondContact O-N 2.7Å; V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.03Å; V153-L170 HydrophobicContact CG2-CD2 4.4Å; V153-L177 HydrophobicContact CG2-CB 4.07Å; V153-L177 HydrophobicContact CG2-CD2 4.43Å; V153-A190 HydrophobicContact CG1-CB 4.24Å; V153-L194 HydrophobicContact CG1-CD1 4.26Å; V153-L194 HydrophobicContact CG2-CD1 4.36Å; V153-L328 HydrophobicContact CG1-CD1 4.45Å; V153-M330 HydrophobicContact CG1-CE 3.78Å; V153-M330 HydrophobicContact CG1-SD 3.73Å
154	E	98.7	Very high	98.4	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-43.7	176.3	-68.5	-168.9	132.8	0	0	110.7	L51 S150 A156 A157 E158 L328 A329 K353	L51-E154 HydrophobicContact CD1-CB 3.6Å; S150-E154 WeakPolarHBondContact O-CG 3.43Å; S150-E154 PolarHBondContact O-N 3.5Å; E154-A156 PolarHBondContact O-N 2.91Å; E154-A157 PolarHBondContact O-N 3.45Å; E154-E158 WeakPolarHBondContact O-CG 3.08Å; E154-E158 PolarHBondContact O-N 2.92Å; E154-L328 HydrophobicContact CG-CB 4.2Å; E154-L328 HydrophobicContact CG-CD2 4.38Å; E154-L328 WeakPolarHBondContact OE1-CA 3.17Å; E154-A329 WeakPolarHBondContact CG-O 3.37Å; E154-A329 PolarHBondContact OE1-N 3.37Å; E154-K353 IonicContact OE1-NZ 2.9Å; E154-K353 PolarHBondContact OE1-NZ 3.05Å; E154-K353 IonicContact OE2-NZ 3.47Å
155	M	98.8	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-47.3	-179.4	-170.6	66.2	-158.4	0	0	112.5	L51 A54 V55 P114 V145 T151 G152 A157 E158 I159 I238	L51-M155 HydrophobicContact CB-SD 3.84Å; L51-M155 HydrophobicContact CD1-CB 4.21Å; L51-M155 HydrophobicContact CD2-CB 4.36Å; L51-M155 HydrophobicContact CD2-SD 3.75Å; L51-M155 HydrophobicContact CG-SD 4.28Å; A54-M155 HydrophobicContact CB-CE 4.21Å; V55-M155 HydrophobicContact CG1-CE 3.53Å; P114-M155 HydrophobicContact CG-CE 4.39Å; P114-M155 HydrophobicContact CG-SD 4.21Å; V145-M155 HydrophobicContact CG1-CB 4.34Å; V145-M155 HydrophobicContact CG2-CG 4.47Å; T151-M155 VanDerWaalsContact O-CB 3.31Å; T151-M155 WeakPolarHBondContact O-CB 3.49Å; T151-M155 PolarHBondContact O-N 2.97Å; G152-M155 PolarHBondContact O-N 2.94Å; M155-A157 VanDerWaalsContact C-N 3.25Å; M155-A157 PolarHBondContact O-N 2.89Å; M155-E158 PolarHBondContact O-N 2.8Å; M155-I159 HydrophobicContact CE-CD1 3.79Å; M155-I159 HydrophobicContact CE-CG1 3.76Å; M155-I159 HydrophobicContact CG-CD1 4.09Å; M155-I159 VanDerWaalsContact O-CG1 3.31Å; M155-I159 WeakPolarHBondContact O-CG1 3.22Å; M155-I159 PolarHBondContact O-N 3.19Å; M155-I238 HydrophobicContact CE-CD1 3.63Å; M155-I238 HydrophobicContact CG-CG2 4.24Å
156	A	98.9	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-38.3	177.7	0	0	0	0	0	111.6	V145 G152 E154 K160 V168 L194 V199	V145-A156 HydrophobicContact CG2-CB 4.29Å; G152-A156 WeakPolarHBondContact O-CB 3.5Å; G152-A156 PolarHBondContact O-N 2.77Å; E154-A156 PolarHBondContact O-N 2.91Å; A156-K160 PolarHBondContact O-N 3.15Å; A156-K160 VanDerWaalsContact O-N 3.12Å; A156-V168 HydrophobicContact CB-CG1 4.12Å; A156-L194 HydrophobicContact CB-CD2 4.25Å; A156-V199 HydrophobicContact CB-CG1 4.25Å; A156-V199 HydrophobicContact CB-CG2 4.23Å
157	A	98.8	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71	-40.8	177.8	0	0	0	0	0	112.9	V153 E154 M155 K160 T161 L194 K197 M330	V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.03Å; E154-A157 PolarHBondContact O-N 3.45Å; M155-A157 VanDerWaalsContact C-N 3.25Å; M155-A157 PolarHBondContact O-N 2.89Å; A157-K160 PolarHBondContact O-N 2.87Å; A157-T161 VanDerWaalsContact O-CB 3.27Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 2.95Å; A157-T161 PolarHBondContact O-OG1 3.36Å; A157-L194 HydrophobicContact CB-CD2 3.82Å; A157-K197 HydrophobicContact CB-CD 4.39Å; A157-M330 VanDerWaalsContact CB-C 3.47Å; A157-M330 VanDerWaalsContact CB-CA 3.5Å; A157-M330 HydrophobicContact CB-CB 4.13Å; A157-M330 HydrophobicContact CB-CE 4.09Å; A157-M330 HydrophobicContact CB-SD 4.38Å
158	E	98.8	Very high	98.3	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-46.9	174.7	-69.7	-64.7	157.2	0	0	110.6	L51 R52 V55 E154 M155 K160 T161 E162 G331	L51-E158 HydrophobicContact CB-CG 4.38Å; R52-E158 IonicContact CZ-OE1 3.43Å; R52-E158 IonicContact CZ-OE2 3.63Å; R52-E158 IonicContact NE-OE1 3.34Å; R52-E158 PolarHBondContact NE-OE1 3.07Å; R52-E158 IonicContact NE-OE2 2.83Å; R52-E158 PolarHBondContact NE-OE2 3.46Å; R52-E158 IonicContact NH2-OE1 3.39Å; R52-E158 PolarHBondContact NH2-OE1 3.4Å; R52-E158 IonicContact NH2-OE2 3.12Å; V55-E158 HydrophobicContact CG2-CB 4.02Å; E154-E158 WeakPolarHBondContact O-CG 3.08Å; E154-E158 PolarHBondContact O-N 2.92Å; M155-E158 PolarHBondContact O-N 2.8Å; E158-K160 PolarHBondContact O-N 2.91Å; E158-T161 PolarHBondContact O-N 3.09Å; E158-E162 PolarHBondContact O-N 3.21Å; E158-G331 WeakPolarHBondContact OE1-CA 3.25Å
159	I	98.8	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-49.8	177.7	-62	161.7	0	0	0	111.2	V55 V143 V145 M155 T161 E162 Y163 K166 V168 I238	V55-I159 HydrophobicContact CG1-CG1 3.68Å; V143-I159 HydrophobicContact CB-CD1 4.44Å; V143-I159 HydrophobicContact CG1-CD1 3.92Å; V145-I159 HydrophobicContact CG2-CD1 3.96Å; M155-I159 HydrophobicContact CE-CD1 3.79Å; M155-I159 HydrophobicContact CE-CG1 3.76Å; M155-I159 HydrophobicContact CG-CD1 4.09Å; M155-I159 VanDerWaalsContact O-CG1 3.31Å; M155-I159 WeakPolarHBondContact O-CG1 3.22Å; M155-I159 PolarHBondContact O-N 3.19Å; I159-T161 PolarHBondContact O-N 3.46Å; I159-E162 PolarHBondContact O-N 2.91Å; I159-Y163 HydrophobicContact CG2-CD2 4.47Å; I159-Y163 WeakPolarHBondContact O-CA 3.32Å; I159-Y163 PolarHBondContact O-N 3.49Å; I159-K166 HydrophobicContact CG2-CD 4.1Å; I159-V168 HydrophobicContact CB-CG2 4.18Å; I159-V168 HydrophobicContact CG2-CG2 3.54Å; I159-I238 HydrophobicContact CD1-CD1 4.27Å
160	K	98.6	Very high	98.4	Very high	22 Å²	22	28.9 Å²	28.9	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-21.7	-179.4	-73.3	-60.8	-64.4	-173.4	0	113.7	A156 A157 E158 P164 K166 V168 K197 V199	A156-K160 PolarHBondContact O-N 3.15Å; A156-K160 VanDerWaalsContact O-N 3.12Å; A157-K160 PolarHBondContact O-N 2.87Å; E158-K160 PolarHBondContact O-N 2.91Å; K160-P164 WeakPolarHBondContact CE-O 3.34Å; K160-P164 PolarHBondContact NZ-O 3.17Å; K160-P164 WeakPolarHBondContact O-CA 3.29Å; K160-K166 WeakPolarHBondContact CD-O 3.48Å; K160-K166 PolarHBondContact NZ-O 3.04Å; K160-V168 HydrophobicContact CD-CB 3.84Å; K160-V168 HydrophobicContact CD-CG2 3.49Å; K160-V168 VanDerWaalsContact CD-CG2 3.49Å; K160-V168 HydrophobicContact CG-CB 4.02Å; K160-V168 HydrophobicContact CG-CG2 3.83Å; K160-K197 HydrophobicContact CB-CB 4.04Å; K160-K197 WeakPolarHBondContact CE-O 3.31Å; K160-V199 HydrophobicContact CB-CG2 4.46Å; K160-V199 HydrophobicContact CG-CG2 3.55Å
161	T	98.4	Very high	98.6	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-78.4	-42.2	175.9	-57.5	0	0	0	0	110.9	A157 E158 I159 K197 G331 H332	A157-T161 VanDerWaalsContact O-CB 3.27Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 2.95Å; A157-T161 PolarHBondContact O-OG1 3.36Å; E158-T161 PolarHBondContact O-N 3.09Å; I159-T161 PolarHBondContact O-N 3.46Å; T161-K197 PolarHBondContact OG1-NZ 2.8Å; T161-G331 WeakPolarHBondContact OG1-CA 3.44Å; T161-H332 VanDerWaalsContact CG2-CD2 3.41Å; T161-H332 WeakPolarHBondContact CG2-CD2 3.28Å
162	E	98.5	Very high	98.6	Very high	69 Å²	69	26.7 Å²	26.7	32%	0.322	14%	0.135	S	C	.	.	H	α-helix	trans	-75.9	-37.1	177.9	-167.9	67.1	-165.5	0	0	112.4	V55 E158 I159	V55-E162 HydrophobicContact CB-CB 4.4Å; V55-E162 HydrophobicContact CG2-CB 4.2Å; E158-E162 PolarHBondContact O-N 3.21Å; I159-E162 PolarHBondContact O-N 2.91Å
163	Y	98.4	Very high	98.5	Very high	41 Å²	41	29.2 Å²	29.2	16%	0.161	15%	0.153	C	C	.	.			trans	-127.8	77.4	-177.5	-51	-75.5	0	0	0	111.4	V55 V137 Q138 I159 D165 K166	V55-Y163 HydrophobicContact CB-CE2 4.24Å; V55-Y163 WeakPolarHBondContact O-CE2 3.43Å; V55-Y163 PolarHBondContact O-OH 3.44Å; V137-Y163 HydrophobicContact CG1-CD2 3.9Å; V137-Y163 HydrophobicContact CG1-CE2 3.59Å; Q138-Y163 HydrophobicContact CG-CE1 3.94Å; Q138-Y163 WeakPolarHBondContact CG-OH 3.31Å; Q138-Y163 PolarHBondContact NE2-OH 3.15Å; I159-Y163 HydrophobicContact CG2-CD2 4.47Å; I159-Y163 WeakPolarHBondContact O-CA 3.32Å; I159-Y163 PolarHBondContact O-N 3.49Å; Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 PolarHBondContact O-N 3.09Å; Y163-D165 VanDerWaalsContact O-N 3.16Å; Y163-K166 WeakPolarHBondContact O-CB 3.38Å; Y163-K166 PolarHBondContact O-N 2.91Å; Y163-K166 VanDerWaalsContact O-N 3.08Å
164	P	98.1	Very high	98.4	Very high	82 Å²	82	36.6 Å²	36.6	53%	0.532	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.2	-174	-27.5	36.1	0	0	0	115.1	K160	K160-P164 WeakPolarHBondContact CE-O 3.34Å; K160-P164 PolarHBondContact NZ-O 3.17Å; K160-P164 WeakPolarHBondContact O-CA 3.29Å
165	D	97.9	Very high	98.2	Very high	165 Å²	165	40.7 Å²	40.7	88%	0.882	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.1	-177.8	-58.2	-44.1	0	0	0	113.5	Y163	Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 PolarHBondContact O-N 3.09Å; Y163-D165 VanDerWaalsContact O-N 3.16Å
166	K	98.2	Very high	98	Very high	25 Å²	25	42 Å²	42	11%	0.109	22%	0.221	C	C	.	.	S	Bend	trans	-72.2	137.4	-177.2	-160.6	176.9	-60.7	-73.9	0	110.5	V137 Q138 A140 G141 V143 I159 K160 Y163 V168	V137-K166 WeakPolarHBondContact O-CE 3.29Å; V137-K166 PolarHBondContact O-NZ 3.35Å; Q138-K166 PolarHBondContact O-NZ 2.72Å; A140-K166 PolarHBondContact O-NZ 2.8Å; G141-K166 WeakPolarHBondContact O-CG 3.33Å; V143-K166 HydrophobicContact CG2-CD 3.73Å; V143-K166 HydrophobicContact CG2-CG 4.44Å; I159-K166 HydrophobicContact CG2-CD 4.1Å; K160-K166 WeakPolarHBondContact CD-O 3.48Å; K160-K166 PolarHBondContact NZ-O 3.04Å; Y163-K166 WeakPolarHBondContact O-CB 3.38Å; Y163-K166 PolarHBondContact O-N 2.91Å; Y163-K166 VanDerWaalsContact O-N 3.08Å; K166-V168 PolarHBondContact O-N 3.4Å
167	K	98.8	Very high	98	Very high	83 Å²	83	42.2 Å²	42.2	36%	0.361	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.8	173.3	-177.5	179.8	-176.4	-171.9	0	109.1	G141 S142 V143 E200	G141-K167 PolarHBondContact O-N 3.2Å; S142-K167 CarbonylContact C-O 3.44Å; S142-K167 VanDerWaalsContact CA-O 3.31Å; S142-K167 WeakPolarHBondContact CA-O 2.78Å; V143-K167 PolarHBondContact N-O 2.87Å; K167-E200 WeakPolarHBondContact CE-OE1 3.33Å; K167-E200 VanDerWaalsContact CE-OE2 3.25Å; K167-E200 WeakPolarHBondContact CE-OE2 3.31Å; K167-E200 IonicContact NZ-OE2 2.92Å
168	V	98.9	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.1	177.2	-179.4	0	0	0	0	109.2	V143 V145 A156 I159 K160 K166 V199 E200	V143-V168 WeakPolarHBondContact O-CA 3.38Å; V145-V168 HydrophobicContact CG2-CG1 4.18Å; A156-V168 HydrophobicContact CB-CG1 4.12Å; I159-V168 HydrophobicContact CB-CG2 4.18Å; I159-V168 HydrophobicContact CG2-CG2 3.54Å; K160-V168 HydrophobicContact CD-CB 3.84Å; K160-V168 HydrophobicContact CD-CG2 3.49Å; K160-V168 VanDerWaalsContact CD-CG2 3.49Å; K160-V168 HydrophobicContact CG-CB 4.02Å; K160-V168 HydrophobicContact CG-CG2 3.83Å; K166-V168 PolarHBondContact O-N 3.4Å; V168-V199 HydrophobicContact CG1-CG1 4.24Å; V168-V199 HydrophobicContact CG1-CG2 4.49Å; V168-E200 PolarHBondContact O-N 3.02Å
169	I	98.9	Very high	97.6	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.1	174.8	-53.7	171.7	0	0	0	107.7	V143 L144 V145 E200 L202 I232	V143-I169 PolarHBondContact O-N 3.37Å; L144-I169 CarbonylContact C-O 3.55Å; L144-I169 WeakPolarHBondContact CA-O 3.4Å; L144-I169 HydrophobicContact CD1-CB 3.89Å; L144-I169 HydrophobicContact CD1-CG2 3.81Å; V145-I169 PolarHBondContact N-O 2.71Å; I169-E200 CarbonylContact C-O 3.59Å; I169-E200 WeakPolarHBondContact CA-O 3.37Å; I169-E200 HydrophobicContact CG1-CB 4.12Å; I169-L202 HydrophobicContact CG2-CB 4.44Å; I169-I232 HydrophobicContact CD1-CG2 3.38Å
170	L	98.9	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.5	169.8	177.6	64.9	0	0	0	109.1	V145 V153 L177 L194 V199 E200 L201 L202	V145-L170 HydrophobicContact CB-CD1 3.83Å; V145-L170 HydrophobicContact CG1-CD1 3.63Å; V145-L170 WeakPolarHBondContact O-CA 3.26Å; V153-L170 HydrophobicContact CG2-CD2 4.4Å; L170-L177 HydrophobicContact CD2-CD1 4.35Å; L170-L177 HydrophobicContact CD2-CD2 3.89Å; L170-L194 HydrophobicContact CD2-CD1 3.6Å; L170-V199 HydrophobicContact CB-CG1 3.86Å; L170-E200 PolarHBondContact N-O 2.82Å; L170-L201 HydrophobicContact CB-CD2 3.94Å; L170-L201 HydrophobicContact CD2-CD2 4Å; L170-L201 HydrophobicContact CG-CD2 4.43Å; L170-L202 PolarHBondContact O-N 3.48Å
171	I	98.6	Very high	97	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.5	173.8	-171.4	173	0	0	0	110.8	L144 V145 V146 G147 L202 Q205 V207 T226	L144-I171 HydrophobicContact CD1-CB 4.17Å; L144-I171 HydrophobicContact CD1-CG2 3.76Å; L144-I171 HydrophobicContact CD2-CG2 4.47Å; L144-I171 HydrophobicContact CG-CG2 4.27Å; V145-I171 PolarHBondContact O-N 2.8Å; V146-I171 HydrophobicContact CB-CG2 4.21Å; V146-I171 HydrophobicContact CG1-CG2 4.2Å; V146-I171 HydrophobicContact CG2-CG2 3.98Å; G147-I171 WeakPolarHBondContact CA-O 3.34Å; G147-I171 PolarHBondContact N-O 3.39Å; I171-L202 CarbonylContact C-O 3.48Å; I171-L202 VanDerWaalsContact CA-O 3.29Å; I171-L202 WeakPolarHBondContact CA-O 3.39Å; I171-L202 HydrophobicContact CB-CB 4.35Å; I171-L202 HydrophobicContact CD1-CD2 3.93Å; I171-L202 HydrophobicContact CG1-CB 4.26Å; I171-L202 HydrophobicContact CG1-CD2 4.19Å; I171-L202 HydrophobicContact CG1-CG 4.38Å; I171-Q205 HydrophobicContact CD1-CB 4.34Å; I171-V207 HydrophobicContact CD1-CG2 3.87Å; I171-V207 HydrophobicContact CG2-CG2 3.74Å; I171-T226 HydrophobicContact CD1-CG2 3.81Å
172	H	98.2	Very high	96.8	Very high	19 Å²	19	50.9 Å²	50.9	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.1	178	-168.2	44.3	0	0	0	112.8	G148 R174 G176 L177 L202 L203 G204 Q205	G148-H172 VanDerWaalsContact N-CG 3.28Å; G148-H172 PolarHBondContact N-ND1 3.28Å; H172-R174 PolarHBondContact CD2-O 3.46Å; H172-R174 VanDerWaalsContact CD2-O 3.29Å; H172-R174 PolarHBondContact O-N 2.93Å; H172-R174 VanDerWaalsContact O-N 3.16Å; H172-G176 PolarHBondContact CD2-O 2.73Å; H172-L177 HydrophobicContact CB-CD2 4.3Å; H172-L202 PolarHBondContact N-O 2.87Å; H172-L203 HydrophobicContact CB-CD2 3.94Å; H172-L203 CarbonylContact O-C 3.58Å; H172-L203 WeakPolarHBondContact O-CA 3.38Å; H172-G204 PolarHBondContact O-N 3.34Å; H172-Q205 CarbonylContact C-O 3.47Å; H172-Q205 PolarHBondContact O-N 3.42Å; H172-Q205 VanDerWaalsContact O-N 3.14Å
173	S	97	Very high	96.7	Very high	53 Å²	53	50.2 Å²	50.2	37%	0.371	27%	0.269	S	S	.	.	S	Bend	trans	-65.4	-18.3	-178.4	60.4	0	0	0	0	114.4	G204 Q205 K206	S173-G204 WeakPolarHBondContact O-CA 3.43Å; S173-Q205 VanDerWaalsContact CA-O 3.31Å; S173-Q205 WeakPolarHBondContact CA-O 3.43Å; S173-Q205 PolarHBondContact N-O 3.22Å; S173-K206 VanDerWaalsContact CB-CG 3.49Å
174	R	96.1	Very high	96.7	Very high	154 Å²	154	53.1 Å²	53.1	58%	0.581	29%	0.293	S	S	*	.	S	Bend	trans	-117.7	162.8	-179.7	-57.6	173.1	178.3	166.8	-2	110.4	H172 G204	H172-R174 PolarHBondContact CD2-O 3.46Å; H172-R174 VanDerWaalsContact CD2-O 3.29Å; H172-R174 PolarHBondContact O-N 2.93Å; H172-R174 VanDerWaalsContact O-N 3.16Å; R174-G204 PolarHBondContact O-N 2.83Å
175	V	95.4	Very high	96.6	Very high	106 Å²	106	51.6 Å²	51.6	64%	0.642	28%	0.284	S	S	*	.	S	Bend	trans	-75.4	-39.9	175.3	179.7	0	0	0	0	111.7	L203	V175-L203 WeakPolarHBondContact O-CD1 3.38Å
176	G	94.7	Very high	96.6	Very high	29 Å²	29	43.7 Å²	43.7	30%	0.299	24%	0.242	S	C	.	.	S	Bend	trans	-83.3	128.9	179.7	0	0	0	0	0	111.6	H172 R187	H172-G176 PolarHBondContact CD2-O 2.73Å; G176-R187 VanDerWaalsContact C-NH2 3.29Å; G176-R187 PolarHBondContact O-NH2 3.23Å
177	L	97.4	Very high	96.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	25%	0.247	C	C	.	.			trans	-82.4	166	174.3	-66.8	179.6	0	0	0	112.4	G148 V153 L170 H172 R187 K191 L194 L201 L203	G148-L177 CarbonylContact O-C 3.56Å; G148-L177 WeakPolarHBondContact O-CA 3.4Å; V153-L177 HydrophobicContact CG2-CB 4.07Å; V153-L177 HydrophobicContact CG2-CD2 4.43Å; L170-L177 HydrophobicContact CD2-CD1 4.35Å; L170-L177 HydrophobicContact CD2-CD2 3.89Å; H172-L177 HydrophobicContact CB-CD2 4.3Å; L177-R187 PolarHBondContact O-NE 3.21Å; L177-R187 PolarHBondContact O-NH2 3.14Å; L177-K191 HydrophobicContact CD1-CB 3.99Å; L177-K191 HydrophobicContact CD1-CG 4.16Å; L177-L194 HydrophobicContact CD1-CD1 3.85Å; L177-L201 HydrophobicContact CD1-CD1 4.21Å; L177-L201 HydrophobicContact CD1-CD2 4.31Å; L177-L203 HydrophobicContact CD2-CD2 3.73Å; L177-L203 HydrophobicContact CG-CD2 4.35Å
178	A	95.8	Very high	96.6	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	57.3	179.5	-178.2	0	0	0	0	0	113.9	G148 L182 R187 L328	G148-A178 PolarHBondContact O-N 3.31Å; A178-L182 HydrophobicContact CB-CD1 3.75Å; A178-R187 HydrophobicContact CB-CG 4.42Å; A178-L328 HydrophobicContact CB-CD1 3.82Å
179	D	93	Very high	96.5	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	26%	0.255	S	S	.	.			trans	-66.1	138.7	-174.9	-64.4	-50.2	0	0	0	112.1	S150 E181 L182 R187 M326	S150-D179 WeakPolarHBondContact CB-OD2 3.43Å; S150-D179 VanDerWaalsContact OG-CG 3.31Å; S150-D179 PolarHBondContact OG-OD2 3.24Å; D179-E181 WeakPolarHBondContact CB-OE2 3.36Å; D179-E181 PolarHBondContact O-N 3.1Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.45Å; D179-L182 VanDerWaalsContact O-N 3.13Å; D179-R187 WeakPolarHBondContact O-CD 3.49Å; D179-M326 HydrophobicContact CB-CE 4.29Å; D179-M326 HydrophobicContact CB-SD 4.26Å
180	P	92.8	Very high	96.5	Very high	72 Å²	72	46.4 Å²	46.4	47%	0.468	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.6	-177.6	26.9	-34.4	0	0	0	114	L182	P180-L182 PolarHBondContact O-N 3.03Å
181	E	92.6	Very high	96.5	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.3	175.4	-62.1	79.7	-174.9	0	0	112.9	D179 P290 V324	D179-E181 WeakPolarHBondContact CB-OE2 3.36Å; D179-E181 PolarHBondContact O-N 3.1Å; E181-P290 HydrophobicContact CB-CG 3.86Å; E181-P290 HydrophobicContact CG-CG 4.05Å; E181-V324 HydrophobicContact CB-CG2 4.32Å
182	L	95.1	Very high	96.5	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.283	C	S	.	.	S	Bend	trans	-73.8	147.3	171.4	-72	170.5	0	0	0	111.4	A178 D179 P180 V186 R187 M326 L328 Q338	A178-L182 HydrophobicContact CB-CD1 3.75Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.45Å; D179-L182 VanDerWaalsContact O-N 3.13Å; P180-L182 PolarHBondContact O-N 3.03Å; L182-V186 HydrophobicContact CD1-CG1 4.29Å; L182-V186 HydrophobicContact CD2-CG1 4.11Å; L182-R187 HydrophobicContact CB-CG 3.72Å; L182-R187 HydrophobicContact CD1-CG 4.49Å; L182-R187 WeakPolarHBondContact O-CD 3.36Å; L182-M326 HydrophobicContact CD1-SD 3.75Å; L182-M326 HydrophobicContact CD2-CB 3.71Å; L182-M326 HydrophobicContact CD2-CG 3.99Å; L182-M326 HydrophobicContact CD2-SD 3.79Å; L182-M326 HydrophobicContact CG-SD 3.7Å; L182-L328 HydrophobicContact CD1-CD1 3.94Å; L182-Q338 HydrophobicContact CD2-CG 3.9Å
183	L	96.5	Very high	96.5	Very high	56 Å²	56	52.1 Å²	52.1	29%	0.293	28%	0.279	S	S	.	.			trans	-53.3	139.4	171.9	-69.9	173.1	0	0	0	110.6	S185 V186 R187 Q338 G341 R343	L183-S185 PolarHBondContact O-N 2.91Å; L183-S185 VanDerWaalsContact O-N 3.09Å; L183-V186 HydrophobicContact CB-CB 4.37Å; L183-V186 HydrophobicContact CB-CG2 3.95Å; L183-V186 HydrophobicContact CD1-CG2 4.37Å; L183-V186 WeakPolarHBondContact O-CB 3.46Å; L183-V186 PolarHBondContact O-N 2.82Å; L183-R187 PolarHBondContact O-N 2.93Å; L183-R187 VanDerWaalsContact O-N 3.09Å; L183-Q338 HydrophobicContact CD1-CB 4.42Å; L183-G341 WeakPolarHBondContact CD1-O 3.24Å; L183-R343 HydrophobicContact CD1-CB 4.29Å
184	P	96.8	Very high	96.6	Very high	102 Å²	102	49.6 Å²	49.6	66%	0.662	26%	0.261	S	S	*	.	H	α-helix	trans	-52	-36.6	175.5	-28.8	35.3	0	0	0	113.4	V186 R187 Q188	P184-V186 PolarHBondContact O-N 2.87Å; P184-R187 PolarHBondContact O-N 3.18Å; P184-Q188 VanDerWaalsContact O-CB 3.32Å; P184-Q188 WeakPolarHBondContact O-CB 3.43Å; P184-Q188 PolarHBondContact O-N 3.02Å
185	S	97.1	Very high	96.7	Very high	49 Å²	49	46.7 Å²	46.7	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-27.9	178	61	0	0	0	0	114.1	L183 Q189	L183-S185 PolarHBondContact O-N 2.91Å; L183-S185 VanDerWaalsContact O-N 3.09Å; S185-Q189 WeakPolarHBondContact O-CB 3.08Å; S185-Q189 PolarHBondContact O-N 3.4Å
186	V	97.9	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-75.4	-43.7	173.4	175	0	0	0	0	109.8	L182 L183 P184 Q188 Q189 A190 Q338 R343	L182-V186 HydrophobicContact CD1-CG1 4.29Å; L182-V186 HydrophobicContact CD2-CG1 4.11Å; L183-V186 HydrophobicContact CB-CB 4.37Å; L183-V186 HydrophobicContact CB-CG2 3.95Å; L183-V186 HydrophobicContact CD1-CG2 4.37Å; L183-V186 WeakPolarHBondContact O-CB 3.46Å; L183-V186 PolarHBondContact O-N 2.82Å; P184-V186 PolarHBondContact O-N 2.87Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.97Å; V186-Q189 WeakPolarHBondContact O-CB 3.43Å; V186-Q189 PolarHBondContact O-N 2.9Å; V186-A190 PolarHBondContact O-N 2.82Å; V186-Q338 HydrophobicContact CG2-CB 4.14Å; V186-R343 HydrophobicContact CG2-CB 3.97Å; V186-R343 HydrophobicContact CG2-CG 3.81Å
187	R	97.9	Very high	97	Very high	57 Å²	57	48 Å²	48	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-40.3	177.9	-62.4	174.8	63.9	-162.4	2.6	111.7	G176 L177 A178 D179 L182 L183 P184 A190 K191	G176-R187 VanDerWaalsContact C-NH2 3.29Å; G176-R187 PolarHBondContact O-NH2 3.23Å; L177-R187 PolarHBondContact O-NE 3.21Å; L177-R187 PolarHBondContact O-NH2 3.14Å; A178-R187 HydrophobicContact CB-CG 4.42Å; D179-R187 WeakPolarHBondContact O-CD 3.49Å; L182-R187 HydrophobicContact CB-CG 3.72Å; L182-R187 HydrophobicContact CD1-CG 4.49Å; L182-R187 WeakPolarHBondContact O-CD 3.36Å; L183-R187 PolarHBondContact O-N 2.93Å; L183-R187 VanDerWaalsContact O-N 3.09Å; P184-R187 PolarHBondContact O-N 3.18Å; R187-A190 WeakPolarHBondContact O-CB 3.2Å; R187-A190 PolarHBondContact O-N 2.82Å; R187-K191 PolarHBondContact O-N 3.08Å; R187-K191 VanDerWaalsContact O-N 3.15Å
188	Q	98	Very high	97.1	Very high	90 Å²	90	49.9 Å²	49.9	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-43.2	173.3	179.9	55.6	34.8	0	0	111.6	P184 V186 A190 K191 E192	P184-Q188 VanDerWaalsContact O-CB 3.32Å; P184-Q188 WeakPolarHBondContact O-CB 3.43Å; P184-Q188 PolarHBondContact O-N 3.02Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.97Å; Q188-A190 VanDerWaalsContact C-N 3.34Å; Q188-A190 PolarHBondContact O-N 3.37Å; Q188-K191 WeakPolarHBondContact O-CB 3.29Å; Q188-K191 PolarHBondContact O-N 2.99Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.02Å; Q188-E192 PolarHBondContact NE2-OE1 3.29Å; Q188-E192 WeakPolarHBondContact O-CG 3.3Å; Q188-E192 PolarHBondContact O-N 2.48Å
189	Q	98.1	Very high	97.2	Very high	26 Å²	26	49.8 Å²	49.8	12%	0.121	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-37.9	175.9	-167.9	178.2	44.9	0	0	112.4	S185 V186 K191 E192 V193 V336	S185-Q189 WeakPolarHBondContact O-CB 3.08Å; S185-Q189 PolarHBondContact O-N 3.4Å; V186-Q189 WeakPolarHBondContact O-CB 3.43Å; V186-Q189 PolarHBondContact O-N 2.9Å; Q189-K191 VanDerWaalsContact C-N 3.32Å; Q189-K191 PolarHBondContact O-N 2.92Å; Q189-E192 PolarHBondContact O-N 2.79Å; Q189-V193 WeakPolarHBondContact O-CG2 3.17Å; Q189-V193 PolarHBondContact O-N 3.34Å; Q189-V336 HydrophobicContact CB-CG1 4.24Å; Q189-V336 HydrophobicContact CG-CG1 3.71Å
190	A	98.5	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.7	0	0	0	0	0	111.2	V153 V186 R187 Q188 V193 L194 M330 V336	V153-A190 HydrophobicContact CG1-CB 4.24Å; V186-A190 PolarHBondContact O-N 2.82Å; R187-A190 WeakPolarHBondContact O-CB 3.2Å; R187-A190 PolarHBondContact O-N 2.82Å; Q188-A190 VanDerWaalsContact C-N 3.34Å; Q188-A190 PolarHBondContact O-N 3.37Å; A190-V193 PolarHBondContact O-N 3.01Å; A190-L194 WeakPolarHBondContact O-CG 3.44Å; A190-L194 PolarHBondContact O-N 3.14Å; A190-L194 VanDerWaalsContact O-N 3.09Å; A190-M330 WeakPolarHBondContact O-CE 3.36Å; A190-V336 HydrophobicContact CB-CG2 3.83Å
191	K	98.6	Very high	97.8	Very high	62 Å²	62	50.5 Å²	50.5	27%	0.27	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-46.7	175.8	-177	-178.4	174.9	-179.4	0	112	L177 R187 Q188 Q189 V193 L194 L195 L201	L177-K191 HydrophobicContact CD1-CB 3.99Å; L177-K191 HydrophobicContact CD1-CG 4.16Å; R187-K191 PolarHBondContact O-N 3.08Å; R187-K191 VanDerWaalsContact O-N 3.15Å; Q188-K191 WeakPolarHBondContact O-CB 3.29Å; Q188-K191 PolarHBondContact O-N 2.99Å; Q189-K191 VanDerWaalsContact C-N 3.32Å; Q189-K191 PolarHBondContact O-N 2.92Å; K191-V193 PolarHBondContact O-N 3.49Å; K191-L194 PolarHBondContact O-N 3.16Å; K191-L195 HydrophobicContact CG-CD1 4.19Å; K191-L195 WeakPolarHBondContact O-CG 3.49Å; K191-L195 PolarHBondContact O-N 3.2Å; K191-L201 HydrophobicContact CD-CD1 4.45Å; K191-L201 HydrophobicContact CG-CD1 3.71Å
192	E	98.5	Very high	98.1	Very high	80 Å²	80	47.8 Å²	47.8	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-58.5	-46.7	178.1	-73.8	160.8	-171.3	0	0	111.4	Q188 Q189 L194 L195 E196	Q188-E192 WeakPolarHBondContact CG-OE1 3.02Å; Q188-E192 PolarHBondContact NE2-OE1 3.29Å; Q188-E192 WeakPolarHBondContact O-CG 3.3Å; Q188-E192 PolarHBondContact O-N 2.48Å; Q189-E192 PolarHBondContact O-N 2.79Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 2.96Å; E192-L195 PolarHBondContact O-N 3.43Å; E192-L195 VanDerWaalsContact O-N 3.17Å; E192-E196 WeakPolarHBondContact O-CB 3.47Å; E192-E196 WeakPolarHBondContact O-CG 3.44Å; E192-E196 PolarHBondContact O-N 3.13Å
193	V	98.5	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-38.4	178.5	172.8	0	0	0	0	112.4	Q189 A190 K191 E196 K197 M330 D334 V336	Q189-V193 WeakPolarHBondContact O-CG2 3.17Å; Q189-V193 PolarHBondContact O-N 3.34Å; A190-V193 PolarHBondContact O-N 3.01Å; K191-V193 PolarHBondContact O-N 3.49Å; V193-E196 PolarHBondContact O-N 2.79Å; V193-K197 HydrophobicContact CG1-CD 4.2Å; V193-K197 WeakPolarHBondContact O-CB 3.37Å; V193-K197 WeakPolarHBondContact O-CG 3.47Å; V193-K197 PolarHBondContact O-N 3.23Å; V193-M330 HydrophobicContact CB-CE 3.95Å; V193-M330 HydrophobicContact CG1-CB 3.65Å; V193-M330 HydrophobicContact CG1-CE 3.8Å; V193-M330 HydrophobicContact CG1-CG 3.98Å; V193-D334 VanDerWaalsContact CG1-OD2 3.3Å; V193-D334 WeakPolarHBondContact CG1-OD2 3.3Å; V193-V336 HydrophobicContact CG2-CG1 4.05Å
194	L	98.8	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-41.3	174.5	-68.9	-173.7	0	0	0	111.9	V153 A156 A157 L170 L177 A190 K191 E192 K197 G198 V199 L201 M330	V153-L194 HydrophobicContact CG1-CD1 4.26Å; V153-L194 HydrophobicContact CG2-CD1 4.36Å; A156-L194 HydrophobicContact CB-CD2 4.25Å; A157-L194 HydrophobicContact CB-CD2 3.82Å; L170-L194 HydrophobicContact CD2-CD1 3.6Å; L177-L194 HydrophobicContact CD1-CD1 3.85Å; A190-L194 WeakPolarHBondContact O-CG 3.44Å; A190-L194 PolarHBondContact O-N 3.14Å; A190-L194 VanDerWaalsContact O-N 3.09Å; K191-L194 PolarHBondContact O-N 3.16Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 2.96Å; L194-K197 PolarHBondContact O-N 3.41Å; L194-G198 PolarHBondContact O-N 3.18Å; L194-V199 HydrophobicContact CB-CB 4.1Å; L194-V199 HydrophobicContact CB-CG2 4.21Å; L194-V199 HydrophobicContact CD2-CG2 4.13Å; L194-V199 WeakPolarHBondContact O-CB 3.47Å; L194-V199 PolarHBondContact O-N 3.27Å; L194-L201 HydrophobicContact CB-CD2 4.42Å; L194-L201 HydrophobicContact CD1-CD2 4.13Å; L194-M330 HydrophobicContact CD2-CE 3.5Å; L194-M330 HydrophobicContact CG-CE 3.72Å
195	L	98.7	Very high	98.2	Very high	93 Å²	93	43.8 Å²	43.8	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-42.9	176.2	-68.8	171.3	0	0	0	111.8	K191 E192 K197 G198 L201	K191-L195 HydrophobicContact CG-CD1 4.19Å; K191-L195 WeakPolarHBondContact O-CG 3.49Å; K191-L195 PolarHBondContact O-N 3.2Å; E192-L195 PolarHBondContact O-N 3.43Å; E192-L195 VanDerWaalsContact O-N 3.17Å; L195-K197 PolarHBondContact O-N 3.26Å; L195-G198 PolarHBondContact O-N 3.05Å; L195-L201 HydrophobicContact CD1-CD1 4.37Å; L195-L201 HydrophobicContact CD2-CD1 3.75Å; L195-L201 HydrophobicContact CD2-CG 4Å; L195-L201 HydrophobicContact CG-CD1 3.88Å
196	E	98.6	Very high	98.2	Very high	121 Å²	121	47.2 Å²	47.2	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-55.9	-39.1	173.5	-75.9	171.8	-167.2	0	0	111.4	E192 V193 G198 R346	E192-E196 WeakPolarHBondContact O-CB 3.47Å; E192-E196 WeakPolarHBondContact O-CG 3.44Å; E192-E196 PolarHBondContact O-N 3.13Å; V193-E196 PolarHBondContact O-N 2.79Å; E196-G198 PolarHBondContact O-N 3.09Å; E196-R346 IonicContact OE1-NH1 3.73Å; E196-R346 PolarHBondContact OE1-NH1 3.06Å; E196-R346 IonicContact OE2-CZ 3.27Å; E196-R346 IonicContact OE2-NH1 3.27Å; E196-R346 PolarHBondContact OE2-NH1 3.23Å; E196-R346 IonicContact OE2-NH2 2.63Å; E196-R346 PolarHBondContact OE2-NH2 3.19Å
197	K	98.6	Very high	98.2	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.183	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.7	176.3	-72.7	175.2	-174.9	-80.6	0	113.5	A157 K160 T161 V193 L194 L195 M330 N333	A157-K197 HydrophobicContact CB-CD 4.39Å; K160-K197 HydrophobicContact CB-CB 4.04Å; K160-K197 WeakPolarHBondContact CE-O 3.31Å; T161-K197 PolarHBondContact OG1-NZ 2.8Å; V193-K197 HydrophobicContact CG1-CD 4.2Å; V193-K197 WeakPolarHBondContact O-CB 3.37Å; V193-K197 WeakPolarHBondContact O-CG 3.47Å; V193-K197 PolarHBondContact O-N 3.23Å; L194-K197 PolarHBondContact O-N 3.41Å; L195-K197 PolarHBondContact O-N 3.26Å; K197-M330 WeakPolarHBondContact CE-O 3.4Å; K197-M330 PolarHBondContact NZ-O 3Å; K197-N333 PolarHBondContact NZ-OD1 2.93Å
198	G	98.6	Very high	98.1	Very high	42 Å²	42	48.8 Å²	48.8	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	32.1	-178.8	0	0	0	0	0	114.2	L194 L195 E196	L194-G198 PolarHBondContact O-N 3.18Å; L195-G198 PolarHBondContact O-N 3.05Å; E196-G198 PolarHBondContact O-N 3.09Å
199	V	98.9	Very high	98.1	Very high	4 Å²	4	46 Å²	46	2%	0.024	24%	0.244	C	C	.	.			trans	-78	129.6	166.9	-179.1	0	0	0	0	109.4	A156 K160 V168 L170 L194 L201	A156-V199 HydrophobicContact CB-CG1 4.25Å; A156-V199 HydrophobicContact CB-CG2 4.23Å; K160-V199 HydrophobicContact CB-CG2 4.46Å; K160-V199 HydrophobicContact CG-CG2 3.55Å; V168-V199 HydrophobicContact CG1-CG1 4.24Å; V168-V199 HydrophobicContact CG1-CG2 4.49Å; L170-V199 HydrophobicContact CB-CG1 3.86Å; L194-V199 HydrophobicContact CB-CB 4.1Å; L194-V199 HydrophobicContact CB-CG2 4.21Å; L194-V199 HydrophobicContact CD2-CG2 4.13Å; L194-V199 WeakPolarHBondContact O-CB 3.47Å; L194-V199 PolarHBondContact O-N 3.27Å; V199-L201 HydrophobicContact CB-CD2 4.47Å; V199-L201 HydrophobicContact CG1-CD2 3.86Å
200	E	98.7	Very high	97.9	Very high	96 Å²	96	46.9 Å²	46.9	45%	0.449	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.2	170.4	-69.2	174.2	-150.7	0	0	109.5	K167 V168 I169 L170	K167-E200 WeakPolarHBondContact CE-OE1 3.33Å; K167-E200 VanDerWaalsContact CE-OE2 3.25Å; K167-E200 WeakPolarHBondContact CE-OE2 3.31Å; K167-E200 IonicContact NZ-OE2 2.92Å; V168-E200 PolarHBondContact O-N 3.02Å; I169-E200 CarbonylContact C-O 3.59Å; I169-E200 WeakPolarHBondContact CA-O 3.37Å; I169-E200 HydrophobicContact CG1-CB 4.12Å; L170-E200 PolarHBondContact N-O 2.82Å
201	L	98.7	Very high	97.7	Very high	41 Å²	41	52.5 Å²	52.5	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.7	-177.1	-59.3	-177.4	0	0	0	110.9	L170 L177 K191 L194 L195 V199 L203	L170-L201 HydrophobicContact CB-CD2 3.94Å; L170-L201 HydrophobicContact CD2-CD2 4Å; L170-L201 HydrophobicContact CG-CD2 4.43Å; L177-L201 HydrophobicContact CD1-CD1 4.21Å; L177-L201 HydrophobicContact CD1-CD2 4.31Å; K191-L201 HydrophobicContact CD-CD1 4.45Å; K191-L201 HydrophobicContact CG-CD1 3.71Å; L194-L201 HydrophobicContact CB-CD2 4.42Å; L194-L201 HydrophobicContact CD1-CD2 4.13Å; L195-L201 HydrophobicContact CD1-CD1 4.37Å; L195-L201 HydrophobicContact CD2-CD1 3.75Å; L195-L201 HydrophobicContact CD2-CG 4Å; L195-L201 HydrophobicContact CG-CD1 3.88Å; V199-L201 HydrophobicContact CB-CD2 4.47Å; V199-L201 HydrophobicContact CG1-CD2 3.86Å; L201-L203 HydrophobicContact CB-CD1 4.25Å; L201-L203 HydrophobicContact CB-CD2 4.26Å; L201-L203 HydrophobicContact CB-CG 4.05Å; L201-L203 HydrophobicContact CD1-CD1 4.43Å
202	L	98.1	Very high	97.5	Very high	38 Å²	38	55 Å²	55	20%	0.199	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	94.1	171.8	-167.2	66.6	0	0	0	110.3	I169 L170 I171 H172 T226 I232	I169-L202 HydrophobicContact CG2-CB 4.44Å; L170-L202 PolarHBondContact O-N 3.48Å; I171-L202 CarbonylContact C-O 3.48Å; I171-L202 VanDerWaalsContact CA-O 3.29Å; I171-L202 WeakPolarHBondContact CA-O 3.39Å; I171-L202 HydrophobicContact CB-CB 4.35Å; I171-L202 HydrophobicContact CD1-CD2 3.93Å; I171-L202 HydrophobicContact CG1-CB 4.26Å; I171-L202 HydrophobicContact CG1-CD2 4.19Å; I171-L202 HydrophobicContact CG1-CG 4.38Å; H172-L202 PolarHBondContact N-O 2.87Å; L202-T226 HydrophobicContact CD2-CG2 3.98Å; L202-I232 HydrophobicContact CD2-CD1 3.25Å; L202-I232 HydrophobicContact CD2-CG1 4.22Å
203	L	98.1	Very high	97.4	Very high	35 Å²	35	52.2 Å²	52.2	18%	0.183	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	152	-169	-52.5	177.1	0	0	0	112.2	H172 V175 L177 L201 Q205	H172-L203 HydrophobicContact CB-CD2 3.94Å; H172-L203 CarbonylContact O-C 3.58Å; H172-L203 WeakPolarHBondContact O-CA 3.38Å; V175-L203 WeakPolarHBondContact O-CD1 3.38Å; L177-L203 HydrophobicContact CD2-CD2 3.73Å; L177-L203 HydrophobicContact CG-CD2 4.35Å; L201-L203 HydrophobicContact CB-CD1 4.25Å; L201-L203 HydrophobicContact CB-CD2 4.26Å; L201-L203 HydrophobicContact CB-CG 4.05Å; L201-L203 HydrophobicContact CD1-CD1 4.43Å; L203-Q205 VanDerWaalsContact C-N 3.3Å
204	G	97.6	Very high	97.3	Very high	20 Å²	20	57.6 Å²	57.6	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	70	25	-177.5	0	0	0	0	0	113.8	H172 S173 R174 K228	H172-G204 PolarHBondContact O-N 3.34Å; S173-G204 WeakPolarHBondContact O-CA 3.43Å; R174-G204 PolarHBondContact O-N 2.83Å; G204-K228 WeakPolarHBondContact O-CE 3.1Å; G204-K228 PolarHBondContact O-NZ 3.29Å
205	Q	96.7	Very high	97.2	Very high	23 Å²	23	60.5 Å²	60.5	11%	0.107	34%	0.337	C	S	.	.			trans	-139.8	152.9	178.7	-54.2	-165	45.7	0	0	110.5	I171 H172 S173 L203 T226 D227 K228 T230	I171-Q205 HydrophobicContact CD1-CB 4.34Å; H172-Q205 CarbonylContact C-O 3.47Å; H172-Q205 PolarHBondContact O-N 3.42Å; H172-Q205 VanDerWaalsContact O-N 3.14Å; S173-Q205 VanDerWaalsContact CA-O 3.31Å; S173-Q205 WeakPolarHBondContact CA-O 3.43Å; S173-Q205 PolarHBondContact N-O 3.22Å; L203-Q205 VanDerWaalsContact C-N 3.3Å; Q205-T226 PolarHBondContact OE1-OG1 2.87Å; Q205-D227 WeakPolarHBondContact CA-OD1 3.07Å; Q205-K228 HydrophobicContact CG-CD 3.7Å; Q205-K228 HydrophobicContact CG-CG 4.04Å; Q205-T230 PolarHBondContact OE1-OG1 3.38Å
206	K	96.2	Very high	97.1	Very high	122 Å²	122	57.5 Å²	57.5	53%	0.53	32%	0.321	S	S	.	.			trans	-117.1	152.9	176.3	-67.3	171.4	-176.1	176.3	0	110.1	S173 S208 T226 D227	S173-K206 VanDerWaalsContact CB-CG 3.49Å; K206-S208 PolarHBondContact O-N 2.96Å; K206-T226 CarbonylContact O-C 3.52Å; K206-T226 WeakPolarHBondContact O-CA 3.2Å; K206-T226 WeakPolarHBondContact O-CB 3.48Å; K206-D227 HydrophobicContact CB-CB 4.36Å; K206-D227 VanDerWaalsContact N-CG 3.35Å; K206-D227 PolarHBondContact N-OD1 3.37Å; K206-D227 PolarHBondContact N-OD2 2.78Å; K206-D227 PolarHBondContact O-N 2.86Å
207	V	97.5	Very high	97.1	Very high	19 Å²	19	54.9 Å²	54.9	12%	0.115	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-72.3	122	164.3	-179	0	0	0	0	108.3	L144 V146 I171 L210 L213 I224 M225	L144-V207 HydrophobicContact CD2-CG2 4.21Å; V146-V207 HydrophobicContact CG1-CG2 4.02Å; V146-V207 HydrophobicContact CG2-CG2 3.85Å; I171-V207 HydrophobicContact CD1-CG2 3.87Å; I171-V207 HydrophobicContact CG2-CG2 3.74Å; V207-L210 HydrophobicContact CB-CB 4.25Å; V207-L210 HydrophobicContact CG1-CB 3.82Å; V207-L210 HydrophobicContact CG1-CD1 4.27Å; V207-L213 HydrophobicContact CG1-CD1 4.08Å; V207-I224 HydrophobicContact CB-CG2 4.3Å; V207-I224 HydrophobicContact CG1-CG2 3.6Å; V207-I224 HydrophobicContact CG2-CG2 3.85Å; V207-M225 WeakPolarHBondContact CA-O 3.42Å
208	S	97	Very high	97.1	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	31%	0.314	S	S	.	.	S	Bend	trans	-89.7	-26.3	-177.8	57.5	0	0	0	0	112.9	K206 M225 T226	K206-S208 PolarHBondContact O-N 2.96Å; S208-M225 PolarHBondContact N-O 3.22Å; S208-M225 WeakPolarHBondContact OG-CB 3.47Å; S208-M225 PolarHBondContact OG-O 3.19Å; S208-M225 VanDerWaalsContact OG-O 3.05Å; S208-T226 PolarHBondContact OG-O 3.38Å
209	N	96.5	Very high	97	Very high	33 Å²	33	56 Å²	56	18%	0.176	31%	0.313	C	S	.	.	S	Bend	trans	-104.4	22.5	-179.3	70	-31.4	0	0	0	114.1	S211 V212 V223 M225	N209-S211 PolarHBondContact O-N 3.36Å; N209-S211 VanDerWaalsContact O-N 3.13Å; N209-V212 HydrophobicContact CB-CG2 3.95Å; N209-V212 WeakPolarHBondContact O-CG2 3.33Å; N209-V212 PolarHBondContact O-N 2.78Å; N209-V212 VanDerWaalsContact O-N 3.14Å; N209-V223 PolarHBondContact ND2-O 3.06Å; N209-M225 PolarHBondContact OD1-N 3.18Å; N209-M225 PolarHBondContact OD1-O 2.79Å
210	L	95.5	Very high	96.8	Very high	44 Å²	44	63.5 Å²	63.5	23%	0.23	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.3	-171.9	-172.8	64.4	0	0	0	113.5	V146 V207 V212 L213 L215 V237	V146-L210 HydrophobicContact CG1-CD2 4.32Å; V146-L210 HydrophobicContact CG2-CD1 4.22Å; V207-L210 HydrophobicContact CB-CB 4.25Å; V207-L210 HydrophobicContact CG1-CB 3.82Å; V207-L210 HydrophobicContact CG1-CD1 4.27Å; L210-V212 PolarHBondContact O-N 2.68Å; L210-L213 HydrophobicContact CD1-CD1 4.33Å; L210-L213 PolarHBondContact O-N 2.84Å; L210-L215 HydrophobicContact CD1-CD2 3.91Å; L210-V237 HydrophobicContact CD1-CG1 4.31Å
211	S	94.1	Very high	96.6	Very high	118 Å²	118	64.2 Å²	64.2	83%	0.825	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.5	-177.5	53.8	0	0	0	0	114.6	N209	N209-S211 PolarHBondContact O-N 3.36Å; N209-S211 VanDerWaalsContact O-N 3.13Å
212	V	94.6	Very high	96.6	Very high	113 Å²	113	63 Å²	63	69%	0.685	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-107.5	0	179.2	-59.1	0	0	0	0	112.6	N209 L210	N209-V212 HydrophobicContact CB-CG2 3.95Å; N209-V212 WeakPolarHBondContact O-CG2 3.33Å; N209-V212 PolarHBondContact O-N 2.78Å; N209-V212 VanDerWaalsContact O-N 3.14Å; L210-V212 PolarHBondContact O-N 2.68Å
213	L	95.6	Very high	96.5	Very high	23 Å²	23	64.4 Å²	64.4	12%	0.12	36%	0.355	C	S	.	.	S	Bend	trans	-84.7	140.5	175.9	-63	177.1	0	0	0	110.5	V207 L210 L215 I224 V237	V207-L213 HydrophobicContact CG1-CD1 4.08Å; L210-L213 HydrophobicContact CD1-CD1 4.33Å; L210-L213 PolarHBondContact O-N 2.84Å; L213-L215 HydrophobicContact CB-CD2 4.38Å; L213-L215 PolarHBondContact O-N 2.94Å; L213-I224 HydrophobicContact CD1-CG1 3.88Å; L213-I224 HydrophobicContact CD1-CG2 4.31Å; L213-V237 HydrophobicContact CD1-CG2 4.32Å
214	E	95.4	Very high	96.5	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-75.3	118.8	166.8	-68.3	-178.5	166.1	0	0	108.9
215	L	97	Very high	96.5	Very high	61 Å²	61	64.4 Å²	64.4	32%	0.319	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-94.8	146.9	-179.3	-55.2	-177.1	0	0	0	110.4	L210 L213 V217 V237 C239	L210-L215 HydrophobicContact CD1-CD2 3.91Å; L213-L215 HydrophobicContact CB-CD2 4.38Å; L213-L215 PolarHBondContact O-N 2.94Å; L215-V217 PolarHBondContact O-N 3.19Å; L215-V217 VanDerWaalsContact O-N 3.13Å; L215-V237 HydrophobicContact CD2-CB 4Å; L215-V237 HydrophobicContact CD2-CG1 3.63Å; L215-C239 HydrophobicContact CD1-CB 3.93Å
216	N	97.7	Very high	96.6	Very high	29 Å²	29	63.4 Å²	63.4	16%	0.155	35%	0.345	C	S	.	.	S	Bend	trans	59.1	21.1	173.2	-55.5	-46.4	0	0	0	114.8	F113 I133 V237	F113-N216 PolarHBondContact O-ND2 3.3Å; F113-N216 PolarHBondContact O-OD1 3.14Å; I133-N216 HydrophobicContact CD1-CB 3.7Å; I133-N216 WeakPolarHBondContact CD1-O 3.32Å; N216-V237 PolarHBondContact N-O 3.32Å
217	V	97.6	Very high	96.6	Very high	66 Å²	66	61.4 Å²	61.4	40%	0.4	34%	0.34	S	S	.	.	S	Bend	trans	-132.3	138.2	174	-179.1	0	0	0	0	107.8	L215 N219 L236	L215-V217 PolarHBondContact O-N 3.19Å; L215-V217 VanDerWaalsContact O-N 3.13Å; V217-N219 PolarHBondContact O-N 3.06Å; V217-L236 WeakPolarHBondContact O-CD1 3.43Å
218	T	98.3	Very high	96.5	Very high	33 Å²	33	66.1 Å²	66.1	20%	0.202	36%	0.359	C	S	.	.			trans	-78.1	119	-179.8	-50.6	0	0	0	0	110	E136 A139 A140 D235	E136-T218 VanDerWaalsContact CA-OG1 3.3Å; E136-T218 WeakPolarHBondContact CA-OG1 3.44Å; E136-T218 PolarHBondContact O-OG1 3.33Å; E136-T218 WeakPolarHBondContact OE2-CA 3.24Å; E136-T218 WeakPolarHBondContact OE2-CB 3.3Å; E136-T218 PolarHBondContact OE2-N 2.92Å; E136-T218 PolarHBondContact OE2-OG1 2.97Å; A139-T218 HydrophobicContact CB-CG2 4.23Å; A140-T218 HydrophobicContact CB-CG2 4.02Å; T218-D235 CarbonylContact C-O 3.56Å; T218-D235 VanDerWaalsContact CA-O 3.29Å; T218-D235 WeakPolarHBondContact CA-O 3.23Å; T218-D235 HydrophobicContact CG2-CB 4.2Å
219	N	97.3	Very high	96.4	Very high	76 Å²	76	69.7 Å²	69.7	41%	0.406	37%	0.373	S	S	.	.			trans	-136.5	117.1	171.7	-172.7	-10	0	0	0	108.4	V217 N221 M222 D235	V217-N219 PolarHBondContact O-N 3.06Å; N219-N221 PolarHBondContact O-N 3.48Å; N219-M222 HydrophobicContact CB-CE 4.18Å; N219-M222 HydrophobicContact CB-CG 3.87Å; N219-M222 HydrophobicContact CB-SD 4.1Å; N219-M222 WeakPolarHBondContact O-CG 3.37Å; N219-D235 CarbonylContact C-O 3.51Å; N219-D235 PolarHBondContact N-O 2.73Å; N219-D235 CarbonylContact O-C 3.5Å; N219-D235 VanDerWaalsContact O-CA 3.29Å; N219-D235 WeakPolarHBondContact O-CA 3.37Å; N219-D235 VanDerWaalsContact O-O 3.05Å
220	K	94.9	Very high	96.3	Very high	160 Å²	160	70.6 Å²	70.6	70%	0.696	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	134.4	-169.9	-71.2	-170.5	176.6	-176.6	0	111.4	M222 D235	K220-M222 PolarHBondContact O-N 2.91Å; K220-D235 WeakPolarHBondContact CA-OD1 3.45Å
221	N	94.5	Very high	96.3	Very high	111 Å²	111	74.5 Å²	74.5	59%	0.594	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	41.4	175.4	-49.4	-59.5	0	0	0	114.2	N219 V223 D235	N219-N221 PolarHBondContact O-N 3.48Å; N221-V223 PolarHBondContact O-N 3.48Å; N221-D235 PolarHBondContact N-OD1 3.21Å
222	M	97.8	Very high	96.4	Very high	17 Å²	17	69.9 Å²	69.9	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	134.5	168.4	-75.2	-176.3	-83.4	0	0	109.9	N219 K220 I224 T233 A234 D235 V237	N219-M222 HydrophobicContact CB-CE 4.18Å; N219-M222 HydrophobicContact CB-CG 3.87Å; N219-M222 HydrophobicContact CB-SD 4.1Å; N219-M222 WeakPolarHBondContact O-CG 3.37Å; K220-M222 PolarHBondContact O-N 2.91Å; M222-I224 VanDerWaalsContact O-CD1 3.24Å; M222-I224 WeakPolarHBondContact O-CD1 3.28Å; M222-T233 VanDerWaalsContact O-CA 3.3Å; M222-T233 WeakPolarHBondContact O-CA 3.49Å; M222-A234 WeakPolarHBondContact CB-O 3.16Å; M222-A234 PolarHBondContact N-O 3.43Å; M222-A234 PolarHBondContact O-N 3.41Å; M222-D235 VanDerWaalsContact CE-C 3.49Å; M222-D235 WeakPolarHBondContact CE-O 3.25Å; M222-V237 HydrophobicContact CE-CG2 3.93Å; M222-V237 HydrophobicContact SD-CG2 4.31Å
223	V	97.6	Very high	96.6	Very high	66 Å²	66	67.2 Å²	67.2	40%	0.4	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.7	179	-179.3	0	0	0	0	109.5	N209 N221 M225 E231	N209-V223 PolarHBondContact ND2-O 3.06Å; N221-V223 PolarHBondContact O-N 3.48Å; V223-M225 HydrophobicContact CG1-SD 4.2Å; V223-E231 HydrophobicContact CG1-CG 3.68Å
224	I	98.1	Very high	96.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.9	178.5	-56.2	103.1	0	0	0	108.7	L144 V207 L213 M222 I232 A234 V237	L144-I224 HydrophobicContact CD2-CB 4.14Å; L144-I224 HydrophobicContact CD2-CD1 4.03Å; L144-I224 HydrophobicContact CD2-CG1 3.71Å; L144-I224 HydrophobicContact CD2-CG2 3.67Å; V207-I224 HydrophobicContact CB-CG2 4.3Å; V207-I224 HydrophobicContact CG1-CG2 3.6Å; V207-I224 HydrophobicContact CG2-CG2 3.85Å; L213-I224 HydrophobicContact CD1-CG1 3.88Å; L213-I224 HydrophobicContact CD1-CG2 4.31Å; M222-I224 VanDerWaalsContact O-CD1 3.24Å; M222-I224 WeakPolarHBondContact O-CD1 3.28Å; I224-I232 HydrophobicContact CB-CB 4.35Å; I224-I232 WeakPolarHBondContact CD1-O 3.26Å; I224-I232 PolarHBondContact N-O 3.13Å; I224-I232 PolarHBondContact O-N 3.21Å; I224-A234 HydrophobicContact CD1-CB 3.78Å; I224-V237 HydrophobicContact CD1-CG2 4.46Å; I224-V237 HydrophobicContact CG1-CG2 4.36Å
225	M	97.7	Very high	96.9	Very high	56 Å²	56	61.6 Å²	61.6	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139	175.1	-62.4	-53.9	-61.8	0	0	109.9	V207 S208 N209 V223 E231	V207-M225 WeakPolarHBondContact CA-O 3.42Å; S208-M225 PolarHBondContact N-O 3.22Å; S208-M225 WeakPolarHBondContact OG-CB 3.47Å; S208-M225 PolarHBondContact OG-O 3.19Å; S208-M225 VanDerWaalsContact OG-O 3.05Å; N209-M225 PolarHBondContact OD1-N 3.18Å; N209-M225 PolarHBondContact OD1-O 2.79Å; V223-M225 HydrophobicContact CG1-SD 4.2Å; M225-E231 HydrophobicContact CE-CB 4.45Å; M225-E231 HydrophobicContact SD-CB 4Å; M225-E231 HydrophobicContact SD-CG 3.9Å
226	T	97.6	Very high	97	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-93.1	169.6	170.3	77	0	0	0	0	112.4	I171 L202 Q205 K206 S208 K228 D229 T230 I232	I171-T226 HydrophobicContact CD1-CG2 3.81Å; L202-T226 HydrophobicContact CD2-CG2 3.98Å; Q205-T226 PolarHBondContact OE1-OG1 2.87Å; K206-T226 CarbonylContact O-C 3.52Å; K206-T226 WeakPolarHBondContact O-CA 3.2Å; K206-T226 WeakPolarHBondContact O-CB 3.48Å; S208-T226 PolarHBondContact OG-O 3.38Å; T226-K228 PolarHBondContact O-N 2.98Å; T226-K228 PolarHBondContact OG1-N 2.88Å; T226-K228 VanDerWaalsContact OG1-N 3.11Å; T226-D229 PolarHBondContact O-N 3.48Å; T226-T230 PolarHBondContact N-O 2.8Å; T226-T230 VanDerWaalsContact OG1-CB 3.3Å; T226-T230 WeakPolarHBondContact OG1-CB 3.34Å; T226-T230 PolarHBondContact OG1-N 2.85Å; T226-T230 VanDerWaalsContact OG1-N 3.08Å; T226-I232 HydrophobicContact CG2-CD1 3.98Å
227	D	96.7	Very high	97	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	2.4	168	64.2	-16.9	0	0	0	113.9	Q205 K206	Q205-D227 WeakPolarHBondContact CA-OD1 3.07Å; K206-D227 HydrophobicContact CB-CB 4.36Å; K206-D227 VanDerWaalsContact N-CG 3.35Å; K206-D227 PolarHBondContact N-OD1 3.37Å; K206-D227 PolarHBondContact N-OD2 2.78Å; K206-D227 PolarHBondContact O-N 2.86Å
228	K	96.1	Very high	97.1	Very high	118 Å²	118	54.1 Å²	54.1	51%	0.513	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	26.3	172.2	-54.3	-165.9	-176.4	166.6	0	112.5	G204 Q205 T226 T230	G204-K228 WeakPolarHBondContact O-CE 3.1Å; G204-K228 PolarHBondContact O-NZ 3.29Å; Q205-K228 HydrophobicContact CG-CD 3.7Å; Q205-K228 HydrophobicContact CG-CG 4.04Å; T226-K228 PolarHBondContact O-N 2.98Å; T226-K228 PolarHBondContact OG1-N 2.88Å; T226-K228 VanDerWaalsContact OG1-N 3.11Å; K228-T230 PolarHBondContact O-N 3.34Å
229	D	93.4	Very high	97.1	Very high	145 Å²	145	53 Å²	53	78%	0.775	27%	0.271	S	S	*	.	S	Bend	trans	56.2	24.6	178.3	-51.9	-49.1	0	0	0	113.8	T226	T226-D229 PolarHBondContact O-N 3.48Å
230	T	94.6	Very high	97.1	Very high	52 Å²	52	50.1 Å²	50.1	32%	0.319	26%	0.257	S	S	.	.			trans	-84.2	129.6	171	-55.5	0	0	0	0	108.6	Q205 T226 K228 I232	Q205-T230 PolarHBondContact OE1-OG1 3.38Å; T226-T230 PolarHBondContact N-O 2.8Å; T226-T230 VanDerWaalsContact OG1-CB 3.3Å; T226-T230 WeakPolarHBondContact OG1-CB 3.34Å; T226-T230 PolarHBondContact OG1-N 2.85Å; T226-T230 VanDerWaalsContact OG1-N 3.08Å; K228-T230 PolarHBondContact O-N 3.34Å; T230-I232 HydrophobicContact CG2-CG1 4.34Å
231	E	96.6	Very high	97.1	Very high	126 Å²	126	45.3 Å²	45.3	59%	0.589	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96	133.9	172.5	-169.9	178.3	131.6	0	0	110.1	V223 M225	V223-E231 HydrophobicContact CG1-CG 3.68Å; M225-E231 HydrophobicContact CE-CB 4.45Å; M225-E231 HydrophobicContact SD-CB 4Å; M225-E231 HydrophobicContact SD-CG 3.9Å
232	I	96.3	Very high	97	Very high	20 Å²	20	43 Å²	43	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	176.7	-49.2	164.2	0	0	0	107.3	I169 L202 I224 T226 T230	I169-I232 HydrophobicContact CD1-CG2 3.38Å; L202-I232 HydrophobicContact CD2-CD1 3.25Å; L202-I232 HydrophobicContact CD2-CG1 4.22Å; I224-I232 HydrophobicContact CB-CB 4.35Å; I224-I232 WeakPolarHBondContact CD1-O 3.26Å; I224-I232 PolarHBondContact N-O 3.13Å; I224-I232 PolarHBondContact O-N 3.21Å; T226-I232 HydrophobicContact CG2-CD1 3.98Å; T230-I232 HydrophobicContact CG2-CG1 4.34Å
233	T	97.8	Very high	96.7	Very high	57 Å²	57	46.5 Å²	46.5	35%	0.35	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.1	168.3	55.4	0	0	0	0	111.4	M222	M222-T233 VanDerWaalsContact O-CA 3.3Å; M222-T233 WeakPolarHBondContact O-CA 3.49Å
234	A	98.4	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.7	171.3	0	0	0	0	0	110.5	S142 L144 M222 I224	S142-A234 WeakPolarHBondContact OG-CA 3.5Å; L144-A234 HydrophobicContact CB-CB 3.79Å; M222-A234 WeakPolarHBondContact CB-O 3.16Å; M222-A234 PolarHBondContact N-O 3.43Å; M222-A234 PolarHBondContact O-N 3.41Å; I224-A234 HydrophobicContact CD1-CB 3.78Å
235	D	98.8	Very high	96.5	Very high	18 Å²	18	49.8 Å²	49.8	10%	0.096	27%	0.27	C	S	.	.	S	Bend	trans	-91	-20.7	178	-54.6	-46	0	0	0	112.6	A140 G141 S142 T218 N219 K220 N221 M222	A140-D235 HydrophobicContact CB-CB 3.99Å; G141-D235 VanDerWaalsContact CA-OD2 3.25Å; G141-D235 WeakPolarHBondContact CA-OD2 3.49Å; G141-D235 PolarHBondContact N-OD2 2.82Å; S142-D235 PolarHBondContact N-OD2 2.86Å; S142-D235 WeakPolarHBondContact O-CA 3.29Å; S142-D235 WeakPolarHBondContact O-CB 3.24Å; S142-D235 PolarHBondContact O-N 2.96Å; S142-D235 VanDerWaalsContact OG-CG 3.29Å; S142-D235 PolarHBondContact OG-N 3.01Å; S142-D235 PolarHBondContact OG-OD2 3.13Å; T218-D235 CarbonylContact C-O 3.56Å; T218-D235 VanDerWaalsContact CA-O 3.29Å; T218-D235 WeakPolarHBondContact CA-O 3.23Å; T218-D235 HydrophobicContact CG2-CB 4.2Å; N219-D235 CarbonylContact C-O 3.51Å; N219-D235 PolarHBondContact N-O 2.73Å; N219-D235 CarbonylContact O-C 3.5Å; N219-D235 VanDerWaalsContact O-CA 3.29Å; N219-D235 WeakPolarHBondContact O-CA 3.37Å; N219-D235 VanDerWaalsContact O-O 3.05Å; K220-D235 WeakPolarHBondContact CA-OD1 3.45Å; N221-D235 PolarHBondContact N-OD1 3.21Å; M222-D235 VanDerWaalsContact CE-C 3.49Å; M222-D235 WeakPolarHBondContact CE-O 3.25Å
236	L	98.8	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.6	-179.4	178.2	65.3	0	0	0	109.8	E136 V137 A140 S142 V143 L144 V217 I238	E136-L236 HydrophobicContact CB-CD1 4.42Å; V137-L236 HydrophobicContact CB-CD2 4.3Å; V137-L236 HydrophobicContact CG2-CD2 3.65Å; A140-L236 HydrophobicContact CB-CB 3.64Å; A140-L236 HydrophobicContact CB-CD2 4.25Å; S142-L236 PolarHBondContact O-N 2.82Å; S142-L236 VanDerWaalsContact O-N 3.13Å; V143-L236 CarbonylContact C-O 3.59Å; V143-L236 WeakPolarHBondContact CA-O 3.33Å; V143-L236 HydrophobicContact CG1-CB 4.35Å; V143-L236 HydrophobicContact CG1-CD2 4.25Å; V143-L236 HydrophobicContact CG1-CG 4.3Å; V143-L236 HydrophobicContact CG2-CB 4.3Å; V143-L236 HydrophobicContact CG2-CD2 4.24Å; L144-L236 PolarHBondContact N-O 3.18Å; V217-L236 WeakPolarHBondContact O-CD1 3.43Å; L236-I238 HydrophobicContact CD2-CD1 4.06Å; L236-I238 HydrophobicContact CD2-CG1 4.25Å; L236-I238 HydrophobicContact CG-CD1 4.48Å; L236-I238 HydrophobicContact CG-CG1 4.14Å
237	V	98.8	Very high	96.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.9	176.2	-176	0	0	0	0	109.7	L144 V146 L210 L213 L215 N216 M222 I224	L144-V237 HydrophobicContact CB-CG2 4.32Å; L144-V237 HydrophobicContact CD2-CG1 4.28Å; L144-V237 HydrophobicContact CD2-CG2 4.35Å; L144-V237 WeakPolarHBondContact O-CA 3.33Å; V146-V237 HydrophobicContact CG2-CG1 3.84Å; L210-V237 HydrophobicContact CD1-CG1 4.31Å; L213-V237 HydrophobicContact CD1-CG2 4.32Å; L215-V237 HydrophobicContact CD2-CB 4Å; L215-V237 HydrophobicContact CD2-CG1 3.63Å; N216-V237 PolarHBondContact N-O 3.32Å; M222-V237 HydrophobicContact CE-CG2 3.93Å; M222-V237 HydrophobicContact SD-CG2 4.31Å; I224-V237 HydrophobicContact CD1-CG2 4.46Å; I224-V237 HydrophobicContact CG1-CG2 4.36Å
238	I	98.6	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.5	177.2	-56.7	-174.8	0	0	0	108.7	P114 V137 V143 L144 V145 V146 M155 I159 L236	P114-I238 HydrophobicContact CG-CG2 4.24Å; V137-I238 HydrophobicContact CG2-CD1 4.26Å; V143-I238 HydrophobicContact CG1-CD1 4.03Å; V143-I238 HydrophobicContact CG1-CG1 4.13Å; L144-I238 PolarHBondContact O-N 3.47Å; V145-I238 WeakPolarHBondContact CA-O 3.4Å; V146-I238 PolarHBondContact N-O 2.87Å; M155-I238 HydrophobicContact CE-CD1 3.63Å; M155-I238 HydrophobicContact CG-CG2 4.24Å; I159-I238 HydrophobicContact CD1-CD1 4.27Å; L236-I238 HydrophobicContact CD2-CD1 4.06Å; L236-I238 HydrophobicContact CD2-CG1 4.25Å; L236-I238 HydrophobicContact CG-CD1 4.48Å; L236-I238 HydrophobicContact CG-CG1 4.14Å
239	C	98.2	Very high	96.3	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.054	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129	178.8	-172.2	0	0	0	0	111.1	P112 L215	P112-C239 HydrophobicContact CB-CB 4.16Å; P112-C239 WeakPolarHBondContact CB-O 3.34Å; P112-C239 HydrophobicContact CG-CB 4.14Å; L215-C239 HydrophobicContact CD1-CB 3.93Å
240	C	97.8	Very high	96.4	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.108	22%	0.221	C	C	.	.			trans	-122.3	24.2	178.6	-60.1	0	0	0	0	112.1	V146 T151	V146-C240 WeakPolarHBondContact O-CA 3.48Å; V146-C240 WeakPolarHBondContact O-CB 3.1Å; V146-C240 PolarHBondContact O-N 3.38Å; T151-C240 HydrophobicContact CG2-CB 3.98Å
241	T	94.9	Very high	96.5	Very high	60 Å²	60	38.2 Å²	38.2	37%	0.368	22%	0.219	S	C	.	.			trans	-127.4	172.2	178.1	69.6	0	0	0	0	111.5	P112 G147	P112-T241 WeakPolarHBondContact CD-O 3.37Å; P112-T241 WeakPolarHBondContact CG-O 3.41Å; G147-T241 VanDerWaalsContact CA-CG2 3.45Å
242	G	92.1	Very high	96.4	Very high	62 Å²	62	35.5 Å²	35.5	64%	0.639	21%	0.214	S	C	*	.			trans	87.5	28.6	175.6	0	0	0	0	0	114.4	K244	G242-K244 PolarHBondContact O-N 3.29Å
243	M	92.6	Very high	96.4	Very high	90 Å²	90	36 Å²	36	44%	0.443	22%	0.218	S	C	.	.			trans	-60.3	133.7	171.4	-63	-52.8	-62.8	0	0	110.8	T109 D110 K116	T109-M243 WeakPolarHBondContact OG1-CE 3.44Å; D110-M243 CarbonylContact O-C 3.54Å; D110-M243 VanDerWaalsContact O-CA 3.28Å; D110-M243 WeakPolarHBondContact O-CA 3.45Å; D110-M243 WeakPolarHBondContact O-CE 3.39Å; K116-M243 HydrophobicContact CD-CE 4.1Å; K116-M243 HydrophobicContact CG-CE 3.76Å; K116-M243 HydrophobicContact CG-SD 4.37Å
244	K	94.8	Very high	96.4	Very high	119 Å²	119	33.4 Å²	33.4	52%	0.517	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.4	178	-172.5	-170.3	168.4	-159.7	0	110.1	T109 D110 G242 D248	T109-K244 CarbonylContact C-O 3.57Å; T109-K244 WeakPolarHBondContact CA-O 3.45Å; T109-K244 WeakPolarHBondContact CB-O 3.45Å; D110-K244 PolarHBondContact N-O 3Å; D110-K244 PolarHBondContact O-N 3.09Å; G242-K244 PolarHBondContact O-N 3.29Å; K244-D248 IonicContact NZ-OD1 3Å; K244-D248 PolarHBondContact NZ-OD1 3.03Å
245	I	96.3	Very high	96.1	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.2	171.4	-58.7	-68.8	0	0	0	109.8	T109 S247 N261 G262 D283 C284	T109-I245 HydrophobicContact CG2-CD1 3.75Å; I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 3.04Å; I245-N261 WeakPolarHBondContact CG1-O 3.45Å; I245-G262 WeakPolarHBondContact CG2-O 3.37Å; I245-D283 WeakPolarHBondContact CD1-O 3.31Å; I245-C284 HydrophobicContact CG2-CB 4.22Å
246	N	95.7	Very high	95.9	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.219	25%	0.253	C	S	.	.			trans	-79.6	77.6	174.7	-75.5	-34.7	0	0	0	110.9	T107 G108 T109 D110 Y250	T107-N246 VanDerWaalsContact CB-O 3.23Å; T107-N246 WeakPolarHBondContact CB-O 3.35Å; T107-N246 WeakPolarHBondContact O-CB 3.35Å; T107-N246 PolarHBondContact O-ND2 3.15Å; T107-N246 PolarHBondContact OG1-O 3.45Å; G108-N246 PolarHBondContact O-N 3.13Å; T109-N246 VanDerWaalsContact C-ND2 3.28Å; D110-N246 WeakPolarHBondContact CB-OD1 3.4Å; D110-N246 PolarHBondContact N-ND2 2.8Å; N246-Y250 WeakPolarHBondContact O-CE1 3.32Å; N246-Y250 PolarHBondContact O-OH 3.17Å
247	S	96.4	Very high	95.8	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.084	26%	0.257	C	S	.	.			trans	-103.9	-8.5	-178	58.4	0	0	0	0	115.2	I245 A249 Y250 S251 G262	I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 3.04Å; S247-A249 PolarHBondContact O-N 3.31Å; S247-Y250 VanDerWaalsContact CA-CZ 3.43Å; S247-Y250 VanDerWaalsContact CB-CE2 3.46Å; S247-Y250 CarbonylContact O-C 3.57Å; S247-Y250 PolarHBondContact O-N 3.41Å; S247-S251 WeakPolarHBondContact O-CA 3.43Å; S247-S251 VanDerWaalsContact O-CB 3.23Å; S247-S251 WeakPolarHBondContact O-CB 3.03Å; S247-S251 PolarHBondContact O-N 3.05Å; S247-G262 WeakPolarHBondContact CB-O 3.48Å
248	D	95.4	Very high	95.8	Very high	104 Å²	104	43.1 Å²	43.1	56%	0.556	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-43.3	-170.3	-62.7	-12	0	0	0	112.6	K244 Y250 S251	K244-D248 IonicContact NZ-OD1 3Å; K244-D248 PolarHBondContact NZ-OD1 3.03Å; D248-Y250 VanDerWaalsContact C-N 3.28Å; D248-Y250 PolarHBondContact O-N 3.45Å; D248-S251 PolarHBondContact O-OG 2.85Å
249	A	96.3	Very high	95.7	Very high	12 Å²	12	44.2 Å²	44.2	10%	0.099	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	-177.8	0	0	0	0	0	115.9	V80 W82 V83 S247	V80-A249 HydrophobicContact CG1-CB 3.99Å; W82-A249 CarbonylContact C-O 3.57Å; W82-A249 VanDerWaalsContact CA-O 3.28Å; W82-A249 WeakPolarHBondContact CA-O 3.38Å; V83-A249 PolarHBondContact N-O 2.9Å; S247-A249 PolarHBondContact O-N 3.31Å
250	Y	95.8	Very high	95.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	0.6	-177	56.9	-107.6	0	0	0	113	L105 T107 N246 S247 D248 S252 T253 L254 L258 L264	L105-Y250 HydrophobicContact CD1-CD1 4.09Å; L105-Y250 HydrophobicContact CD1-CE1 4.43Å; L105-Y250 HydrophobicContact CD1-CG 4.39Å; L105-Y250 HydrophobicContact CD2-CD1 4.22Å; T107-Y250 HydrophobicContact CG2-CD1 4.49Å; T107-Y250 HydrophobicContact CG2-CE1 3.89Å; T107-Y250 PolarHBondContact OG1-OH 2.84Å; N246-Y250 WeakPolarHBondContact O-CE1 3.32Å; N246-Y250 PolarHBondContact O-OH 3.17Å; S247-Y250 VanDerWaalsContact CA-CZ 3.43Å; S247-Y250 VanDerWaalsContact CB-CE2 3.46Å; S247-Y250 CarbonylContact O-C 3.57Å; S247-Y250 PolarHBondContact O-N 3.41Å; D248-Y250 VanDerWaalsContact C-N 3.28Å; D248-Y250 PolarHBondContact O-N 3.45Å; Y250-S252 VanDerWaalsContact C-N 3.29Å; Y250-S252 PolarHBondContact O-N 3.12Å; Y250-T253 PolarHBondContact O-N 3.13Å; Y250-T253 PolarHBondContact O-OG1 3.04Å; Y250-L254 HydrophobicContact CD2-CB 4.49Å; Y250-L254 HydrophobicContact CD2-CD1 4.32Å; Y250-L254 HydrophobicContact CG-CD1 4.3Å; Y250-L254 WeakPolarHBondContact O-CB 3.47Å; Y250-L254 PolarHBondContact O-N 3.4Å; Y250-L258 HydrophobicContact CD2-CD2 4.17Å; Y250-L258 HydrophobicContact CE2-CD2 3.83Å; Y250-L264 HydrophobicContact CD2-CD1 4.16Å; Y250-L264 HydrophobicContact CD2-CD2 4.01Å; Y250-L264 HydrophobicContact CD2-CG 4.22Å; Y250-L264 HydrophobicContact CE1-CD1 4.2Å; Y250-L264 HydrophobicContact CE2-CD1 3.68Å; Y250-L264 HydrophobicContact CE2-CD2 3.89Å; Y250-L264 HydrophobicContact CE2-CG 3.63Å
251	S	95.6	Very high	95.1	Very high	41 Å²	41	57.6 Å²	57.6	29%	0.287	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.1	-169	57.8	0	0	0	0	113.5	S247 D248 N255	S247-S251 WeakPolarHBondContact O-CA 3.43Å; S247-S251 VanDerWaalsContact O-CB 3.23Å; S247-S251 WeakPolarHBondContact O-CB 3.03Å; S247-S251 PolarHBondContact O-N 3.05Å; D248-S251 PolarHBondContact O-OG 2.85Å; S251-N255 VanDerWaalsContact O-CA 3.28Å; S251-N255 WeakPolarHBondContact O-CA 3.43Å; S251-N255 VanDerWaalsContact O-CB 3.27Å; S251-N255 WeakPolarHBondContact O-CB 3.05Å; S251-N255 PolarHBondContact O-N 3.39Å
252	S	95.8	Very high	95	Very high	68 Å²	68	55.4 Å²	55.4	48%	0.476	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-29.6	179.3	54.1	0	0	0	0	113.6	W82 Y250	W82-S252 WeakPolarHBondContact CH2-OG 3.45Å; W82-S252 WeakPolarHBondContact CZ3-OG 3.26Å; Y250-S252 VanDerWaalsContact C-N 3.29Å; Y250-S252 PolarHBondContact O-N 3.12Å
253	T	96.5	Very high	95.2	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.19	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-30.5	175.8	52	0	0	0	0	113.6	W82 V83 Y250	W82-T253 HydrophobicContact CD2-CG2 4.28Å; W82-T253 HydrophobicContact CE3-CG2 4.38Å; W82-T253 HydrophobicContact CH2-CG2 3.19Å; W82-T253 HydrophobicContact CZ2-CG2 3.01Å; W82-T253 HydrophobicContact CZ3-CG2 3.9Å; V83-T253 VanDerWaalsContact O-CB 3.27Å; V83-T253 WeakPolarHBondContact O-CB 3.45Å; V83-T253 WeakPolarHBondContact O-CG2 3.26Å; V83-T253 PolarHBondContact O-OG1 3.2Å; Y250-T253 PolarHBondContact O-N 3.13Å; Y250-T253 PolarHBondContact O-OG1 3.04Å
254	L	96.1	Very high	95.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	-110.5	24	179.6	-62.8	179.2	0	0	0	112.1	P85 L105 Y250 G256 C257 L258 L264 Y275	P85-L254 HydrophobicContact CB-CD2 4.34Å; P85-L254 HydrophobicContact CG-CD2 3.8Å; L105-L254 HydrophobicContact CD1-CD1 3.98Å; Y250-L254 HydrophobicContact CD2-CB 4.49Å; Y250-L254 HydrophobicContact CD2-CD1 4.32Å; Y250-L254 HydrophobicContact CG-CD1 4.3Å; Y250-L254 WeakPolarHBondContact O-CB 3.47Å; Y250-L254 PolarHBondContact O-N 3.4Å; L254-G256 VanDerWaalsContact C-N 3.29Å; L254-G256 PolarHBondContact O-N 3.02Å; L254-C257 HydrophobicContact CB-CB 4.29Å; L254-C257 CarbonylContact O-C 3.22Å; L254-C257 WeakPolarHBondContact O-CA 3.3Å; L254-C257 WeakPolarHBondContact O-CB 3.33Å; L254-C257 PolarHBondContact O-N 3.19Å; L254-L258 PolarHBondContact O-N 3.24Å; L254-L264 HydrophobicContact CB-CD2 3.98Å; L254-L264 HydrophobicContact CD1-CD2 3.74Å; L254-Y275 HydrophobicContact CD2-CD2 3.99Å; L254-Y275 HydrophobicContact CD2-CE2 3.35Å
255	N	93.5	Very high	95.7	Very high	114 Å²	114	45.1 Å²	45.1	61%	0.61	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-54.4	-40.3	-175.5	65.2	-11.8	0	0	0	113.5	S251 C257 L258	S251-N255 VanDerWaalsContact O-CA 3.28Å; S251-N255 WeakPolarHBondContact O-CA 3.43Å; S251-N255 VanDerWaalsContact O-CB 3.27Å; S251-N255 WeakPolarHBondContact O-CB 3.05Å; S251-N255 PolarHBondContact O-N 3.39Å; N255-C257 PolarHBondContact O-N 3.07Å; N255-L258 PolarHBondContact O-N 3.48Å
256	G	94.4	Very high	95.8	Very high	54 Å²	54	45.4 Å²	45.4	56%	0.557	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15	176	0	0	0	0	0	114.1	L254 K265	L254-G256 VanDerWaalsContact C-N 3.29Å; L254-G256 PolarHBondContact O-N 3.02Å; G256-K265 WeakPolarHBondContact O-CE 3.41Å; G256-K265 PolarHBondContact O-NZ 3.13Å
257	C	96.9	Very high	95.9	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.095	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-101.9	2.2	-179.5	-49.1	0	0	0	0	112.2	L254 N255 L264 K265 V272 E273	L254-C257 HydrophobicContact CB-CB 4.29Å; L254-C257 CarbonylContact O-C 3.22Å; L254-C257 WeakPolarHBondContact O-CA 3.3Å; L254-C257 WeakPolarHBondContact O-CB 3.33Å; L254-C257 PolarHBondContact O-N 3.19Å; N255-C257 PolarHBondContact O-N 3.07Å; C257-L264 HydrophobicContact CB-CD2 4.3Å; C257-K265 VanDerWaalsContact C-CE 3.42Å; C257-K265 WeakPolarHBondContact O-CB 3.37Å; C257-K265 WeakPolarHBondContact O-CE 3.24Å; C257-K265 PolarHBondContact O-N 3.11Å; C257-V272 HydrophobicContact CB-CG1 3.7Å; C257-E273 PolarHBondContact SG-O 3.43Å
258	L	97.3	Very high	96	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.215	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-88.5	143.8	178.4	-58.5	-179.3	0	0	0	112.3	Y250 L254 N255 S263 L264 K265	Y250-L258 HydrophobicContact CD2-CD2 4.17Å; Y250-L258 HydrophobicContact CE2-CD2 3.83Å; L254-L258 PolarHBondContact O-N 3.24Å; N255-L258 PolarHBondContact O-N 3.48Å; L258-S263 CarbonylContact C-O 3.46Å; L258-S263 WeakPolarHBondContact CA-O 3.4Å; L258-L264 HydrophobicContact CD2-CD2 3.79Å; L258-L264 HydrophobicContact CD2-CG 4.21Å; L258-K265 WeakPolarHBondContact O-CE 3.16Å
259	A	96.3	Very high	96.2	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	27%	0.269	C	S	.	.			trans	-84.1	169.4	162.9	0	0	0	0	0	110.8	N261 G262 S263 K265 N286	A259-N261 PolarHBondContact O-N 3.4Å; A259-N261 VanDerWaalsContact O-N 3.13Å; A259-G262 PolarHBondContact O-N 2.82Å; A259-S263 PolarHBondContact N-O 2.91Å; A259-K265 HydrophobicContact CB-CG 4.26Å; A259-N286 HydrophobicContact CB-CB 4.32Å; A259-N286 WeakPolarHBondContact CB-ND2 3.37Å
260	E	92.6	Very high	96.3	Very high	210 Å²	210	45.4 Å²	45.4	98%	0.981	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32	-177.6	-65.3	-177.2	173.3	0	0	113.8	G262	E260-G262 VanDerWaalsContact C-N 3.27Å; E260-G262 PolarHBondContact O-N 3.15Å
261	N	91	Very high	96.4	Very high	95 Å²	95	45.8 Å²	45.8	51%	0.508	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.6	178.6	68.1	1.3	0	0	0	113.9	I245 A259 S263	I245-N261 WeakPolarHBondContact CG1-O 3.45Å; A259-N261 PolarHBondContact O-N 3.4Å; A259-N261 VanDerWaalsContact O-N 3.13Å; N261-S263 WeakPolarHBondContact OD1-CB 3.23Å; N261-S263 PolarHBondContact OD1-N 3.12Å; N261-S263 PolarHBondContact OD1-OG 3.48Å
262	G	93.7	Very high	96.6	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	83.3	2.5	-179.2	0	0	0	0	0	115.6	I245 S247 A259 E260	I245-G262 WeakPolarHBondContact CG2-O 3.37Å; S247-G262 WeakPolarHBondContact CB-O 3.48Å; A259-G262 PolarHBondContact O-N 2.82Å; E260-G262 VanDerWaalsContact C-N 3.27Å; E260-G262 PolarHBondContact O-N 3.15Å
263	S	97.3	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-77.9	154	172.2	64.1	0	0	0	0	112	L258 A259 N261 C284 N286	L258-S263 CarbonylContact C-O 3.46Å; L258-S263 WeakPolarHBondContact CA-O 3.4Å; A259-S263 PolarHBondContact N-O 2.91Å; N261-S263 WeakPolarHBondContact OD1-CB 3.23Å; N261-S263 PolarHBondContact OD1-N 3.12Å; N261-S263 PolarHBondContact OD1-OG 3.48Å; S263-C284 CarbonylContact C-O 3.42Å; S263-C284 WeakPolarHBondContact CA-O 3.44Å; S263-C284 WeakPolarHBondContact CB-O 3.07Å; S263-N286 WeakPolarHBondContact OG-CB 3.28Å; S263-N286 PolarHBondContact OG-OD1 2.8Å
264	L	98.4	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-80.2	124.5	179.7	-74.6	160.1	0	0	0	110.7	L105 Y250 L254 C257 L258 V266 V272 A280 C284 N286	L105-L264 HydrophobicContact CB-CD1 4.28Å; L105-L264 HydrophobicContact CD1-CD1 3.5Å; L105-L264 VanDerWaalsContact CD1-CD1 3.5Å; Y250-L264 HydrophobicContact CD2-CD1 4.16Å; Y250-L264 HydrophobicContact CD2-CD2 4.01Å; Y250-L264 HydrophobicContact CD2-CG 4.22Å; Y250-L264 HydrophobicContact CE1-CD1 4.2Å; Y250-L264 HydrophobicContact CE2-CD1 3.68Å; Y250-L264 HydrophobicContact CE2-CD2 3.89Å; Y250-L264 HydrophobicContact CE2-CG 3.63Å; L254-L264 HydrophobicContact CB-CD2 3.98Å; L254-L264 HydrophobicContact CD1-CD2 3.74Å; C257-L264 HydrophobicContact CB-CD2 4.3Å; L258-L264 HydrophobicContact CD2-CD2 3.79Å; L258-L264 HydrophobicContact CD2-CG 4.21Å; L264-V266 PolarHBondContact O-N 3.2Å; L264-V272 HydrophobicContact CB-CG2 4.38Å; L264-V272 HydrophobicContact CD1-CG2 4.22Å; L264-V272 HydrophobicContact CD2-CG1 4.05Å; L264-V272 HydrophobicContact CD2-CG2 4.44Å; L264-A280 HydrophobicContact CB-CB 3.94Å; L264-A280 HydrophobicContact CD1-CB 3.86Å; L264-C284 PolarHBondContact N-O 3.18Å; L264-N286 VanDerWaalsContact O-CB 3.24Å; L264-N286 WeakPolarHBondContact O-CB 3.22Å; L264-N286 PolarHBondContact O-N 2.77Å
265	K	98.6	Very high	96.7	Very high	55 Å²	55	49.7 Å²	49.7	24%	0.239	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.7	128.3	169.4	-63.8	178.8	-75.2	145.4	0	109.1	G256 C257 L258 A259 E273	G256-K265 WeakPolarHBondContact O-CE 3.41Å; G256-K265 PolarHBondContact O-NZ 3.13Å; C257-K265 VanDerWaalsContact C-CE 3.42Å; C257-K265 WeakPolarHBondContact O-CB 3.37Å; C257-K265 WeakPolarHBondContact O-CE 3.24Å; C257-K265 PolarHBondContact O-N 3.11Å; L258-K265 WeakPolarHBondContact O-CE 3.16Å; A259-K265 HydrophobicContact CB-CG 4.26Å; K265-E273 VanDerWaalsContact CB-CD 3.47Å; K265-E273 HydrophobicContact CB-CG 3.99Å; K265-E273 WeakPolarHBondContact CB-OE2 3.19Å; K265-E273 IonicContact NZ-OE2 2.84Å; K265-E273 PolarHBondContact NZ-OE2 3.12Å; K265-E273 PolarHBondContact O-N 3.2Å
266	V	98.6	Very high	96.9	Very high	23 Å²	23	50.2 Å²	50.2	14%	0.139	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-127.2	149.2	-179	-65.9	0	0	0	0	110.9	L264 L270 Q271 A280 A285 V287	L264-V266 PolarHBondContact O-N 3.2Å; V266-L270 HydrophobicContact CG2-CD2 4.23Å; V266-Q271 CarbonylContact C-O 3.26Å; V266-Q271 WeakPolarHBondContact CA-O 3.44Å; V266-Q271 WeakPolarHBondContact CB-O 3.31Å; V266-A280 HydrophobicContact CG1-CB 3.72Å; V266-A285 HydrophobicContact CG1-CB 4.42Å; V266-A285 HydrophobicContact CG2-CB 4.48Å; V266-V287 HydrophobicContact CG2-CG2 3.81Å
267	N	98.2	Very high	97.1	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	27%	0.273	S	S	.	.			trans	-77.1	-178.4	169.5	72.2	11.1	0	0	0	111.3	H269 L270 Q271	N267-H269 PolarHBondContact O-N 3.24Å; N267-H269 VanDerWaalsContact O-N 3.11Å; N267-H269 VanDerWaalsContact OD1-CA 3.32Å; N267-H269 WeakPolarHBondContact OD1-CA 3.37Å; N267-H269 WeakPolarHBondContact OD1-CB 3.48Å; N267-H269 PolarHBondContact OD1-N 2.71Å; N267-L270 PolarHBondContact O-N 2.91Å; N267-L270 PolarHBondContact OD1-N 3.37Å; N267-Q271 PolarHBondContact N-O 3.41Å; N267-Q271 PolarHBondContact ND2-OE1 3.35Å; N267-Q271 PolarHBondContact OD1-N 3.12Å; N267-Q271 VanDerWaalsContact OD1-N 3.08Å
268	V	97.9	Very high	97.1	Very high	69 Å²	69	48.2 Å²	48.2	42%	0.418	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.6	178.4	-62.3	0	0	0	0	113.7	S318 Y319	V268-S318 CarbonylContact O-C 3.59Å; V268-S318 WeakPolarHBondContact O-CA 3.35Å; V268-Y319 PolarHBondContact O-N 3.46Å
269	H	98.4	Very high	97.2	Very high	42 Å²	42	46.3 Å²	46.3	19%	0.194	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.3	177.3	-55.8	-54.8	0	0	0	112.9	N267 Q271 N306 L316 E317 S318	N267-H269 PolarHBondContact O-N 3.24Å; N267-H269 VanDerWaalsContact O-N 3.11Å; N267-H269 VanDerWaalsContact OD1-CA 3.32Å; N267-H269 WeakPolarHBondContact OD1-CA 3.37Å; N267-H269 WeakPolarHBondContact OD1-CB 3.48Å; N267-H269 PolarHBondContact OD1-N 2.71Å; H269-Q271 HydrophobicContact CB-CG 4.36Å; H269-Q271 PolarHBondContact O-N 3.27Å; H269-N306 PolarHBondContact O-ND2 2.93Å; H269-N306 VanDerWaalsContact O-ND2 3.1Å; H269-L316 HydrophobicContact CB-CB 4.34Å; H269-L316 HydrophobicContact CB-CD1 4.15Å; H269-E317 PolarHBondContact ND1-O 2.84Å; H269-S318 PolarHBondContact CE1-OG 3.35Å
270	L	98.6	Very high	97.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	64.4	14.6	-174.1	-54.8	176.8	0	0	0	114.7	V266 N267 Y279 A280 V287 H299 V302 Y319	V266-L270 HydrophobicContact CG2-CD2 4.23Å; N267-L270 PolarHBondContact O-N 2.91Å; N267-L270 PolarHBondContact OD1-N 3.37Å; L270-Y279 VanDerWaalsContact O-CA 3.29Å; L270-Y279 WeakPolarHBondContact O-CA 3.42Å; L270-A280 PolarHBondContact O-N 2.84Å; L270-A280 VanDerWaalsContact O-N 3.07Å; L270-V287 HydrophobicContact CD2-CG2 3.92Å; L270-H299 VanDerWaalsContact CD1-CA 3.46Å; L270-H299 HydrophobicContact CD1-CB 3.72Å; L270-H299 WeakPolarHBondContact CD1-O 3.37Å; L270-V302 HydrophobicContact CD1-CB 3.87Å; L270-V302 HydrophobicContact CD1-CG1 3.99Å; L270-V302 HydrophobicContact CG-CG1 4.28Å; L270-Y319 HydrophobicContact CD1-CG 4.36Å; L270-Y319 HydrophobicContact CD2-CD1 4.07Å; L270-Y319 HydrophobicContact CD2-CG 4.26Å; L270-Y319 HydrophobicContact CG-CG 4.48Å
271	Q	98.8	Very high	97.6	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.037	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-75.7	139.8	170.2	-64.9	165	-52.4	0	0	109.1	V266 N267 H269 E273 D276 V278 Y279	V266-Q271 CarbonylContact C-O 3.26Å; V266-Q271 WeakPolarHBondContact CA-O 3.44Å; V266-Q271 WeakPolarHBondContact CB-O 3.31Å; N267-Q271 PolarHBondContact N-O 3.41Å; N267-Q271 PolarHBondContact ND2-OE1 3.35Å; N267-Q271 PolarHBondContact OD1-N 3.12Å; N267-Q271 VanDerWaalsContact OD1-N 3.08Å; H269-Q271 HydrophobicContact CB-CG 4.36Å; H269-Q271 PolarHBondContact O-N 3.27Å; Q271-E273 PolarHBondContact O-N 2.84Å; Q271-D276 PolarHBondContact NE2-O 3.42Å; Q271-V278 CarbonylContact C-O 3.03Å; Q271-V278 VanDerWaalsContact CA-O 3.3Å; Q271-V278 WeakPolarHBondContact CA-O 3.28Å; Q271-Y279 HydrophobicContact CG-CD1 3.92Å; Q271-Y279 HydrophobicContact CG-CE1 3.43Å; Q271-Y279 VanDerWaalsContact CG-CE1 3.43Å; Q271-Y279 HydrophobicContact CG-CE2 4.43Å
272	V	98.6	Very high	97.9	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-62.7	132.3	171.8	177.7	0	0	0	0	108.5	C257 L264 G274 Y275 V278 A280	C257-V272 HydrophobicContact CB-CG1 3.7Å; L264-V272 HydrophobicContact CB-CG2 4.38Å; L264-V272 HydrophobicContact CD1-CG2 4.22Å; L264-V272 HydrophobicContact CD2-CG1 4.05Å; L264-V272 HydrophobicContact CD2-CG2 4.44Å; V272-G274 PolarHBondContact O-N 3.47Å; V272-Y275 HydrophobicContact CG1-CD2 4.22Å; V272-Y275 PolarHBondContact O-N 3.3Å; V272-V278 HydrophobicContact CB-CB 4.41Å; V272-V278 HydrophobicContact CB-CG1 4.25Å; V272-V278 HydrophobicContact CG2-CB 4.41Å; V272-V278 HydrophobicContact CG2-CG1 3.8Å; V272-V278 PolarHBondContact N-O 3.19Å; V272-A280 HydrophobicContact CG2-CB 4.04Å
273	E	97.7	Very high	98.1	Very high	86 Å²	86	31.6 Å²	31.6	40%	0.402	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	125.6	-179.7	-71.8	-179.2	171.4	0	0	111.3	C257 K265 Q271	C257-E273 PolarHBondContact SG-O 3.43Å; K265-E273 VanDerWaalsContact CB-CD 3.47Å; K265-E273 HydrophobicContact CB-CG 3.99Å; K265-E273 WeakPolarHBondContact CB-OE2 3.19Å; K265-E273 IonicContact NZ-OE2 2.84Å; K265-E273 PolarHBondContact NZ-OE2 3.12Å; K265-E273 PolarHBondContact O-N 3.2Å; Q271-E273 PolarHBondContact O-N 2.84Å
274	G	96.4	Very high	98.1	Very high	79 Å²	79	31.6 Å²	31.6	81%	0.814	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	-3	-179.3	0	0	0	0	0	115.6	V272	V272-G274 PolarHBondContact O-N 3.47Å
275	Y	97.9	Very high	98.1	Very high	58 Å²	58	31.6 Å²	31.6	23%	0.227	18%	0.181	C	C	.	.			trans	-135.9	118.7	-178.7	-61.2	-83.4	0	0	0	112.5	P85 L254 V272 N277 V278	P85-Y275 HydrophobicContact CB-CD1 3.84Å; P85-Y275 HydrophobicContact CB-CE1 3.42Å; P85-Y275 VanDerWaalsContact CB-CE1 3.42Å; P85-Y275 HydrophobicContact CG-CE1 3.68Å; P85-Y275 HydrophobicContact CG-CE2 4.41Å; P85-Y275 WeakPolarHBondContact CG-OH 3.31Å; L254-Y275 HydrophobicContact CD2-CD2 3.99Å; L254-Y275 HydrophobicContact CD2-CE2 3.35Å; V272-Y275 HydrophobicContact CG1-CD2 4.22Å; V272-Y275 PolarHBondContact O-N 3.3Å; Y275-N277 VanDerWaalsContact C-N 3.33Å; Y275-N277 PolarHBondContact O-N 2.85Å; Y275-V278 HydrophobicContact CG-CG2 4.28Å
276	D	97.2	Very high	98.1	Very high	124 Å²	124	32.1 Å²	32.1	66%	0.663	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.8	-178.5	-64.7	-30.2	0	0	0	113.6	Q271	Q271-D276 PolarHBondContact NE2-O 3.42Å
277	N	97.9	Very high	98	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	5.1	-177.3	69.6	-32.4	0	0	0	114.1	S101 H102 L103 Y275	S101-N277 WeakPolarHBondContact O-CB 3.37Å; S101-N277 PolarHBondContact O-ND2 2.84Å; H102-N277 CarbonylContact C-O 3.37Å; H102-N277 VanDerWaalsContact CA-O 3.3Å; H102-N277 WeakPolarHBondContact CA-O 3.48Å; L103-N277 PolarHBondContact N-O 3.19Å; Y275-N277 VanDerWaalsContact C-N 3.33Å; Y275-N277 PolarHBondContact O-N 2.85Å
278	V	98.7	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.7	177.8	-175.3	0	0	0	0	109.6	P85 L103 L105 Q271 V272 Y275	P85-V278 HydrophobicContact CB-CG2 4.43Å; L103-V278 HydrophobicContact CB-CG1 4.29Å; L103-V278 HydrophobicContact CB-CG2 4.3Å; L103-V278 HydrophobicContact CD2-CG1 4.01Å; L103-V278 HydrophobicContact CG-CG1 4.29Å; L103-V278 CarbonylContact O-C 3.59Å; L103-V278 WeakPolarHBondContact O-CA 3.26Å; L105-V278 HydrophobicContact CD1-CG1 4.07Å; L105-V278 HydrophobicContact CG-CG1 4.49Å; Q271-V278 CarbonylContact C-O 3.03Å; Q271-V278 VanDerWaalsContact CA-O 3.3Å; Q271-V278 WeakPolarHBondContact CA-O 3.28Å; V272-V278 HydrophobicContact CB-CB 4.41Å; V272-V278 HydrophobicContact CB-CG1 4.25Å; V272-V278 HydrophobicContact CG2-CB 4.41Å; V272-V278 HydrophobicContact CG2-CG1 3.8Å; V272-V278 PolarHBondContact N-O 3.19Å; Y275-V278 HydrophobicContact CG-CG2 4.28Å
279	Y	98.9	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.3	-178.9	-63.3	-99.8	0	0	0	110.3	L103 L105 L270 Q271 A303 N306 I307	L103-Y279 PolarHBondContact O-N 2.84Å; L105-Y279 PolarHBondContact N-O 2.9Å; L270-Y279 VanDerWaalsContact O-CA 3.29Å; L270-Y279 WeakPolarHBondContact O-CA 3.42Å; Q271-Y279 HydrophobicContact CG-CD1 3.92Å; Q271-Y279 HydrophobicContact CG-CE1 3.43Å; Q271-Y279 VanDerWaalsContact CG-CE1 3.43Å; Q271-Y279 HydrophobicContact CG-CE2 4.43Å; Y279-A303 HydrophobicContact CD1-CB 3.89Å; Y279-A303 HydrophobicContact CG-CB 4.09Å; Y279-N306 HydrophobicContact CE1-CB 3.73Å; Y279-I307 HydrophobicContact CD2-CD1 4.23Å; Y279-I307 HydrophobicContact CD2-CG1 4.07Å; Y279-I307 HydrophobicContact CE2-CD1 4.19Å; Y279-I307 HydrophobicContact CE2-CG1 3.53Å
280	A	98.7	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.6	169.4	0	0	0	0	0	110.8	L105 L264 V266 L270 V272 A285	L105-A280 WeakPolarHBondContact O-CA 3.43Å; L264-A280 HydrophobicContact CB-CB 3.94Å; L264-A280 HydrophobicContact CD1-CB 3.86Å; V266-A280 HydrophobicContact CG1-CB 3.72Å; L270-A280 PolarHBondContact O-N 2.84Å; L270-A280 VanDerWaalsContact O-N 3.07Å; V272-A280 HydrophobicContact CG2-CB 4.04Å; A280-A285 HydrophobicContact CB-CB 3.9Å; A280-A285 WeakPolarHBondContact O-CB 3.5Å
281	V	98.4	Very high	96.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.205	C	C	.	.			trans	-134.7	142.8	-169.5	164.6	0	0	0	0	110.4	I104 L105 C106 C284 A296 H299 A300 A303	I104-V281 HydrophobicContact CG2-CB 4.13Å; I104-V281 HydrophobicContact CG2-CG2 3.65Å; L105-V281 PolarHBondContact O-N 3.19Å; C106-V281 VanDerWaalsContact SG-CB 3.59Å; V281-C284 PolarHBondContact O-SG 2.76Å; V281-A296 WeakPolarHBondContact CG1-O 3.41Å; V281-H299 HydrophobicContact CB-CB 4.18Å; V281-H299 HydrophobicContact CG1-CB 3.77Å; V281-H299 HydrophobicContact CG2-CB 4.1Å; V281-A300 HydrophobicContact CG1-CB 4.12Å; V281-A303 HydrophobicContact CG2-CB 3.86Å
282	G	97.9	Very high	96.6	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	67.4	-147.5	-177.2	0	0	0	0	0	113.8	C284 A285 H299	G282-C284 PolarHBondContact O-N 3.47Å; G282-C284 VanDerWaalsContact O-N 3.17Å; G282-A285 PolarHBondContact O-N 3.42Å; G282-A285 VanDerWaalsContact O-N 3.09Å; G282-H299 PolarHBondContact N-ND1 3.36Å
283	D	97.1	Very high	96.5	Very high	26 Å²	26	39 Å²	39	14%	0.139	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.9	-29.3	-168.4	-54.7	1.9	0	0	0	114	T109 I245 A285 K291	T109-D283 HydrophobicContact CG2-CB 3.68Å; T109-D283 PolarHBondContact OG1-OD2 2.88Å; I245-D283 WeakPolarHBondContact CD1-O 3.31Å; D283-A285 PolarHBondContact O-N 2.94Å; D283-K291 HydrophobicContact CB-CB 4.38Å; D283-K291 HydrophobicContact CB-CG 4.42Å
284	C	97.7	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-74.6	-11.3	-179.2	64.9	0	0	0	0	113.5	L105 T107 I245 S263 L264 V281 G282	L105-C284 PolarHBondContact O-SG 2.78Å; T107-C284 WeakPolarHBondContact OG1-CB 3.38Å; I245-C284 HydrophobicContact CG2-CB 4.22Å; S263-C284 CarbonylContact C-O 3.42Å; S263-C284 WeakPolarHBondContact CA-O 3.44Å; S263-C284 WeakPolarHBondContact CB-O 3.07Å; L264-C284 PolarHBondContact N-O 3.18Å; V281-C284 PolarHBondContact O-SG 2.76Å; G282-C284 PolarHBondContact O-N 3.47Å; G282-C284 VanDerWaalsContact O-N 3.17Å
285	A	98.3	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-88	134.7	174.2	0	0	0	0	0	111.1	V266 A280 G282 D283 V287 K291	V266-A285 HydrophobicContact CG1-CB 4.42Å; V266-A285 HydrophobicContact CG2-CB 4.48Å; A280-A285 HydrophobicContact CB-CB 3.9Å; A280-A285 WeakPolarHBondContact O-CB 3.5Å; G282-A285 PolarHBondContact O-N 3.42Å; G282-A285 VanDerWaalsContact O-N 3.09Å; D283-A285 PolarHBondContact O-N 2.94Å; A285-V287 HydrophobicContact CB-CG2 4.12Å; A285-V287 PolarHBondContact O-N 2.87Å; A285-K291 PolarHBondContact O-NZ 3.47Å
286	N	97.6	Very high	96.3	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.353	18%	0.18	S	C	.	.			trans	-80.2	58.6	177.9	-166.2	33.7	0	0	0	112	A259 S263 L264	A259-N286 HydrophobicContact CB-CB 4.32Å; A259-N286 WeakPolarHBondContact CB-ND2 3.37Å; S263-N286 WeakPolarHBondContact OG-CB 3.28Å; S263-N286 PolarHBondContact OG-OD1 2.8Å; L264-N286 VanDerWaalsContact O-CB 3.24Å; L264-N286 WeakPolarHBondContact O-CB 3.22Å; L264-N286 PolarHBondContact O-N 2.77Å
287	V	96.8	Very high	96.3	Very high	15 Å²	15	30.2 Å²	30.2	9%	0.091	16%	0.161	C	C	.	.			trans	-94.4	131.6	171.9	-173.4	0	0	0	0	109.3	V266 L270 A285 E289 K291 Y319 P321	V266-V287 HydrophobicContact CG2-CG2 3.81Å; L270-V287 HydrophobicContact CD2-CG2 3.92Å; A285-V287 HydrophobicContact CB-CG2 4.12Å; A285-V287 PolarHBondContact O-N 2.87Å; V287-E289 VanDerWaalsContact C-N 3.28Å; V287-E289 HydrophobicContact CB-CG 4.5Å; V287-E289 HydrophobicContact CG1-CG 4.07Å; V287-E289 PolarHBondContact O-N 2.91Å; V287-K291 PolarHBondContact O-NZ 3.11Å; V287-Y319 HydrophobicContact CG1-CD1 4.24Å; V287-Y319 HydrophobicContact CG1-CE1 3.87Å; V287-P321 HydrophobicContact CG1-CG 3.74Å
288	N	93	Very high	96.2	Very high	158 Å²	158	32.2 Å²	32.2	85%	0.845	17%	0.171	S	C	*	.	S	Bend	trans	-77.2	74.9	-177.7	-174.9	28.5	0	0	0	111.7
289	E	92.3	Very high	96.2	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.093	17%	0.172	C	C	.	.	S	Bend	trans	-158.3	164.8	175.2	68.6	-174.6	176.7	0	0	110.3	V287 K291 H295 H299 Y319 P321	V287-E289 VanDerWaalsContact C-N 3.28Å; V287-E289 HydrophobicContact CB-CG 4.5Å; V287-E289 HydrophobicContact CG1-CG 4.07Å; V287-E289 PolarHBondContact O-N 2.91Å; E289-K291 PolarHBondContact O-N 3.03Å; E289-H295 WeakPolarHBondContact OE1-CB 3.36Å; E289-H295 IonicContact OE1-CG 2.91Å; E289-H295 IonicContact OE1-ND1 3.07Å; E289-H295 PolarHBondContact OE1-ND1 3.15Å; E289-H295 IonicContact OE2-CE1 2.71Å; E289-H295 PolarHBondContact OE2-CE1 3.33Å; E289-H295 IonicContact OE2-CG 3.57Å; E289-H295 IonicContact OE2-ND1 3.46Å; E289-H295 PolarHBondContact OE2-ND1 3.42Å; E289-H295 VanDerWaalsContact OE2-ND1 3.12Å; E289-H295 IonicContact OE2-NE2 3.85Å; E289-H299 IonicContact OE1-CD2 2.7Å; E289-H299 IonicContact OE1-CE1 3.91Å; E289-H299 PolarHBondContact OE1-CE1 3.09Å; E289-H299 IonicContact OE1-NE2 3.82Å; E289-H299 PolarHBondContact OE1-NE2 2.83Å; E289-Y319 PolarHBondContact OE1-OH 3.11Å; E289-Y319 PolarHBondContact OE2-OH 2.94Å; E289-P321 HydrophobicContact CB-CB 4.12Å; E289-P321 HydrophobicContact CB-CG 4.4Å; E289-P321 WeakPolarHBondContact OE2-CB 3.35Å
290	P	91.8	Very high	96.2	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.065	17%	0.172	C	C	.	.			trans	-60.6	134.8	177.8	-18.6	29.8	0	0	0	111.7	E181 M292 H295 V324 M326	E181-P290 HydrophobicContact CB-CG 3.86Å; E181-P290 HydrophobicContact CG-CG 4.05Å; P290-M292 HydrophobicContact CB-CE 4Å; P290-M292 HydrophobicContact CB-CG 4.23Å; P290-M292 HydrophobicContact CB-SD 4.35Å; P290-M292 HydrophobicContact CG-CE 4.38Å; P290-M292 PolarHBondContact O-N 3.24Å; P290-M292 VanDerWaalsContact O-N 3.12Å; P290-H295 PolarHBondContact O-CD2 2.8Å; P290-H295 VanDerWaalsContact O-CD2 3.27Å; P290-V324 HydrophobicContact CG-CG1 4.07Å; P290-V324 HydrophobicContact CG-CG2 4.02Å; P290-M326 HydrophobicContact CB-CE 3.56Å; P290-M326 HydrophobicContact CG-CE 4.27Å
291	K	92.8	Very high	96.2	Very high	81 Å²	81	33.2 Å²	33.2	35%	0.352	18%	0.181	S	C	.	.			trans	-74.6	105.4	179.7	-57.8	-44.8	-169.9	-173.5	0	110.2	D283 A285 V287 E289	D283-K291 HydrophobicContact CB-CB 4.38Å; D283-K291 HydrophobicContact CB-CG 4.42Å; A285-K291 PolarHBondContact O-NZ 3.47Å; V287-K291 PolarHBondContact O-NZ 3.11Å; E289-K291 PolarHBondContact O-N 3.03Å
292	M	93.9	Very high	96.2	Very high	30 Å²	30	34 Å²	34	15%	0.148	19%	0.186	C	C	.	.			trans	-139.8	150.5	-174.1	-62	-172.5	-70.7	0	0	112.6	P290 Y294 H295 A296 T325 M326	P290-M292 HydrophobicContact CB-CE 4Å; P290-M292 HydrophobicContact CB-CG 4.23Å; P290-M292 HydrophobicContact CB-SD 4.35Å; P290-M292 HydrophobicContact CG-CE 4.38Å; P290-M292 PolarHBondContact O-N 3.24Å; P290-M292 VanDerWaalsContact O-N 3.12Å; M292-Y294 PolarHBondContact O-N 3.46Å; M292-H295 WeakPolarHBondContact CE-CD2 3.25Å; M292-H295 WeakPolarHBondContact CE-NE2 3.09Å; M292-H295 PolarHBondContact O-N 3.17Å; M292-H295 VanDerWaalsContact O-N 3.15Å; M292-A296 PolarHBondContact O-N 2.95Å; M292-T325 WeakPolarHBondContact CE-O 3.43Å; M292-T325 VanDerWaalsContact SD-O 3.37Å; M292-M326 HydrophobicContact CE-CB 4.5Å; M292-M326 HydrophobicContact CG-CE 4.21Å; M292-M326 HydrophobicContact SD-CB 3.76Å; M292-M326 HydrophobicContact SD-CE 3.71Å; M292-M326 HydrophobicContact SD-CG 3.92Å
293	A	94.8	Very high	96.2	Very high	31 Å²	31	33.7 Å²	33.7	26%	0.256	18%	0.183	S	C	.	.	H	α-helix	trans	-51	-38.1	171.8	0	0	0	0	0	113.2	F19 V48 G297	F19-A293 HydrophobicContact CB-CB 4.16Å; F19-A293 HydrophobicContact CD1-CB 3.67Å; F19-A293 HydrophobicContact CD2-CB 3.39Å; F19-A293 HydrophobicContact CE1-CB 3.78Å; F19-A293 HydrophobicContact CE2-CB 3.51Å; F19-A293 HydrophobicContact CG-CB 3.46Å; F19-A293 VanDerWaalsContact CG-CB 3.46Å; F19-A293 HydrophobicContact CZ-CB 3.71Å; V48-A293 HydrophobicContact CG2-CB 4.03Å; A293-G297 PolarHBondContact O-N 3.49Å
294	Y	94.3	Very high	96.3	Very high	124 Å²	124	32.4 Å²	32.4	49%	0.486	18%	0.176	S	C	.	.	H	α-helix	trans	-61.2	-52	177.4	175	-109.5	0	0	0	112.2	M292 A296 G297 L298	M292-Y294 PolarHBondContact O-N 3.46Å; Y294-A296 PolarHBondContact O-N 3.11Å; Y294-G297 PolarHBondContact O-N 3.5Å; Y294-L298 HydrophobicContact CD1-CD1 4.24Å; Y294-L298 HydrophobicContact CE1-CD1 3.62Å; Y294-L298 HydrophobicContact CE1-CG 4.41Å; Y294-L298 PolarHBondContact O-N 2.85Å
295	H	96.4	Very high	96.3	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-38.4	178.3	-69.2	-65.8	0	0	0	112.2	E289 P290 M292 G297 L298 H299 Y319	E289-H295 WeakPolarHBondContact OE1-CB 3.36Å; E289-H295 IonicContact OE1-CG 2.91Å; E289-H295 IonicContact OE1-ND1 3.07Å; E289-H295 PolarHBondContact OE1-ND1 3.15Å; E289-H295 IonicContact OE2-CE1 2.71Å; E289-H295 PolarHBondContact OE2-CE1 3.33Å; E289-H295 IonicContact OE2-CG 3.57Å; E289-H295 IonicContact OE2-ND1 3.46Å; E289-H295 PolarHBondContact OE2-ND1 3.42Å; E289-H295 VanDerWaalsContact OE2-ND1 3.12Å; E289-H295 IonicContact OE2-NE2 3.85Å; P290-H295 PolarHBondContact O-CD2 2.8Å; P290-H295 VanDerWaalsContact O-CD2 3.27Å; M292-H295 WeakPolarHBondContact CE-CD2 3.25Å; M292-H295 WeakPolarHBondContact CE-NE2 3.09Å; M292-H295 PolarHBondContact O-N 3.17Å; M292-H295 VanDerWaalsContact O-N 3.15Å; H295-G297 PolarHBondContact O-N 3.03Å; H295-L298 PolarHBondContact O-N 3.41Å; H295-H299 WeakPolarHBondContact O-CB 3.48Å; H295-H299 PolarHBondContact O-CD2 2.89Å; H295-H299 VanDerWaalsContact O-CG 3.25Å; H295-H299 PolarHBondContact O-N 2.87Å; H295-Y319 PolarHBondContact ND1-OH 3.28Å; H295-Y319 VanDerWaalsContact ND1-OH 3.12Å
296	A	97.6	Very high	96.3	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-37.8	174.6	0	0	0	0	0	112.3	F19 G20 V281 M292 Y294 A300	F19-A296 HydrophobicContact CB-CB 4.14Å; G20-A296 WeakPolarHBondContact CA-O 3.23Å; V281-A296 WeakPolarHBondContact CG1-O 3.41Å; M292-A296 PolarHBondContact O-N 2.95Å; Y294-A296 PolarHBondContact O-N 3.11Å; A296-A300 WeakPolarHBondContact O-CB 3.25Å; A296-A300 PolarHBondContact O-N 3.47Å; A296-A300 VanDerWaalsContact O-N 3.07Å
297	G	97	Very high	96.3	Very high	25 Å²	25	29.5 Å²	29.5	26%	0.258	16%	0.161	S	C	.	.	H	α-helix	trans	-67.7	-40.8	173.3	0	0	0	0	0	113.6	A293 Y294 H295 A300 G301	A293-G297 PolarHBondContact O-N 3.49Å; Y294-G297 PolarHBondContact O-N 3.5Å; H295-G297 PolarHBondContact O-N 3.03Å; G297-A300 PolarHBondContact O-N 2.92Å; G297-G301 PolarHBondContact O-N 2.88Å; G297-G301 VanDerWaalsContact O-N 3.13Å
298	L	97.1	Very high	96.3	Very high	69 Å²	69	29.9 Å²	29.9	36%	0.361	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-44.8	175.2	-63.1	-179.5	0	0	0	111.6	Y294 H295 A300 G301 V302 Y319	Y294-L298 HydrophobicContact CD1-CD1 4.24Å; Y294-L298 HydrophobicContact CE1-CD1 3.62Å; Y294-L298 HydrophobicContact CE1-CG 4.41Å; Y294-L298 PolarHBondContact O-N 2.85Å; H295-L298 PolarHBondContact O-N 3.41Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 3.22Å; L298-G301 PolarHBondContact O-N 2.93Å; L298-G301 VanDerWaalsContact O-N 3.12Å; L298-V302 PolarHBondContact O-N 3.3Å; L298-V302 VanDerWaalsContact O-N 3.13Å; L298-Y319 HydrophobicContact CB-CE2 3.97Å; L298-Y319 HydrophobicContact CD1-CE2 4.47Å
299	H	98.6	Very high	96.5	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-45.7	175.5	-70	178.9	0	0	0	111.5	L270 V281 G282 E289 H295 G301 V302 A303 Y319	L270-H299 VanDerWaalsContact CD1-CA 3.46Å; L270-H299 HydrophobicContact CD1-CB 3.72Å; L270-H299 WeakPolarHBondContact CD1-O 3.37Å; V281-H299 HydrophobicContact CB-CB 4.18Å; V281-H299 HydrophobicContact CG1-CB 3.77Å; V281-H299 HydrophobicContact CG2-CB 4.1Å; G282-H299 PolarHBondContact N-ND1 3.36Å; E289-H299 IonicContact OE1-CD2 2.7Å; E289-H299 IonicContact OE1-CE1 3.91Å; E289-H299 PolarHBondContact OE1-CE1 3.09Å; E289-H299 IonicContact OE1-NE2 3.82Å; E289-H299 PolarHBondContact OE1-NE2 2.83Å; H295-H299 WeakPolarHBondContact O-CB 3.48Å; H295-H299 PolarHBondContact O-CD2 2.89Å; H295-H299 VanDerWaalsContact O-CG 3.25Å; H295-H299 PolarHBondContact O-N 2.87Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 3.42Å; H299-V302 PolarHBondContact O-N 3.28Å; H299-A303 WeakPolarHBondContact O-CB 3.45Å; H299-A303 PolarHBondContact O-N 2.85Å; H299-Y319 AromaticContact CD2-CD1 3.97Å; H299-Y319 AromaticContact CD2-CE1 3.52Å; H299-Y319 AromaticContact CD2-CE2 3.65Å; H299-Y319 AromaticContact CD2-CZ 3.32Å; H299-Y319 AromaticContact NE2-CD1 3.79Å; H299-Y319 AromaticContact NE2-CE1 3.07Å; H299-Y319 WeakPolarHBondContact NE2-CE1 3.38Å; H299-Y319 AromaticContact NE2-CZ 3.18Å; H299-Y319 PolarHBondContact NE2-OH 3.07Å
300	A	98.5	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-39.2	177.1	0	0	0	0	0	112.5	G20 A23 A24 V281 A296 G297 L298 V304	G20-A300 VanDerWaalsContact O-CB 3.25Å; G20-A300 WeakPolarHBondContact O-CB 3.19Å; A23-A300 HydrophobicContact CB-CB 3.82Å; A24-A300 HydrophobicContact CB-CB 4.01Å; V281-A300 HydrophobicContact CG1-CB 4.12Å; A296-A300 WeakPolarHBondContact O-CB 3.25Å; A296-A300 PolarHBondContact O-N 3.47Å; A296-A300 VanDerWaalsContact O-N 3.07Å; G297-A300 PolarHBondContact O-N 2.92Å; L298-A300 VanDerWaalsContact C-N 3.31Å; L298-A300 PolarHBondContact O-N 3.22Å; A300-V304 WeakPolarHBondContact O-CG2 3.41Å; A300-V304 PolarHBondContact O-N 2.79Å
301	G	98.1	Very high	96.6	Very high	19 Å²	19	27.4 Å²	27.4	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-52.4	173.9	0	0	0	0	0	112.9	G297 L298 H299 V304 A305	G297-G301 PolarHBondContact O-N 2.88Å; G297-G301 VanDerWaalsContact O-N 3.13Å; L298-G301 PolarHBondContact O-N 2.93Å; L298-G301 VanDerWaalsContact O-N 3.12Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 3.42Å; G301-V304 PolarHBondContact O-N 2.91Å; G301-A305 VanDerWaalsContact O-CB 3.28Å; G301-A305 WeakPolarHBondContact O-CB 3.34Å; G301-A305 PolarHBondContact O-N 3.11Å
302	V	98.6	Very high	96.6	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-45	178.9	173.2	0	0	0	0	111.2	L270 L298 H299 V304 A305 N306 Y319	L270-V302 HydrophobicContact CD1-CB 3.87Å; L270-V302 HydrophobicContact CD1-CG1 3.99Å; L270-V302 HydrophobicContact CG-CG1 4.28Å; L298-V302 PolarHBondContact O-N 3.3Å; L298-V302 VanDerWaalsContact O-N 3.13Å; H299-V302 PolarHBondContact O-N 3.28Å; V302-V304 PolarHBondContact O-N 3.4Å; V302-A305 PolarHBondContact O-N 2.75Å; V302-N306 WeakPolarHBondContact CG1-ND2 3.46Å; V302-N306 VanDerWaalsContact O-CB 3.31Å; V302-N306 WeakPolarHBondContact O-CB 3.29Å; V302-N306 VanDerWaalsContact O-CG 3.3Å; V302-N306 PolarHBondContact O-N 3.02Å; V302-Y319 HydrophobicContact CG2-CD2 4.1Å
303	A	98.7	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-47.8	179.7	0	0	0	0	0	112.2	I104 Y279 V281 H299 N306 I307	I104-A303 HydrophobicContact CD1-CB 4.49Å; Y279-A303 HydrophobicContact CD1-CB 3.89Å; Y279-A303 HydrophobicContact CG-CB 4.09Å; V281-A303 HydrophobicContact CG2-CB 3.86Å; H299-A303 WeakPolarHBondContact O-CB 3.45Å; H299-A303 PolarHBondContact O-N 2.85Å; A303-N306 PolarHBondContact O-N 2.91Å; A303-I307 WeakPolarHBondContact O-CG1 3.26Å; A303-I307 PolarHBondContact O-N 2.84Å
304	V	98.6	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-36.3	179.1	176	0	0	0	0	111.8	A24 Q27 L28 I104 A300 G301 V302 N306 T308	A24-V304 HydrophobicContact CB-CG2 3.98Å; Q27-V304 HydrophobicContact CB-CB 4.27Å; Q27-V304 HydrophobicContact CB-CG1 3.9Å; Q27-V304 HydrophobicContact CB-CG2 4.27Å; L28-V304 HydrophobicContact CD2-CG1 3.99Å; L28-V304 HydrophobicContact CD2-CG2 4.24Å; L28-V304 HydrophobicContact CG-CG1 4.27Å; L28-V304 HydrophobicContact CG-CG2 4.02Å; I104-V304 HydrophobicContact CD1-CG2 4.07Å; A300-V304 WeakPolarHBondContact O-CG2 3.41Å; A300-V304 PolarHBondContact O-N 2.79Å; G301-V304 PolarHBondContact O-N 2.91Å; V302-V304 PolarHBondContact O-N 3.4Å; V304-N306 VanDerWaalsContact C-N 3.34Å; V304-T308 PolarHBondContact O-N 3.1Å; V304-T308 VanDerWaalsContact O-N 3.11Å; V304-T308 PolarHBondContact O-OG1 3.01Å
305	A	98.4	Very high	96.8	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-44.9	172.1	0	0	0	0	0	111.3	G301 V302 T308 N309	G301-A305 VanDerWaalsContact O-CB 3.28Å; G301-A305 WeakPolarHBondContact O-CB 3.34Å; G301-A305 PolarHBondContact O-N 3.11Å; V302-A305 PolarHBondContact O-N 2.75Å; A305-T308 CarbonylContact O-C 3.45Å; A305-T308 WeakPolarHBondContact O-CB 3.47Å; A305-T308 PolarHBondContact O-N 2.85Å; A305-T308 VanDerWaalsContact O-N 3.15Å; A305-N309 WeakPolarHBondContact O-CB 3.45Å; A305-N309 VanDerWaalsContact O-CG 3.28Å; A305-N309 PolarHBondContact O-N 3.27Å; A305-N309 PolarHBondContact O-ND2 2.97Å
306	N	98.5	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-35.7	-179.1	-75.9	-14.8	0	0	0	113.8	H269 Y279 V302 A303 V304 T308 N309 S310 L316 E317	H269-N306 PolarHBondContact O-ND2 2.93Å; H269-N306 VanDerWaalsContact O-ND2 3.1Å; Y279-N306 HydrophobicContact CE1-CB 3.73Å; V302-N306 WeakPolarHBondContact CG1-ND2 3.46Å; V302-N306 VanDerWaalsContact O-CB 3.31Å; V302-N306 WeakPolarHBondContact O-CB 3.29Å; V302-N306 VanDerWaalsContact O-CG 3.3Å; V302-N306 PolarHBondContact O-N 3.02Å; A303-N306 PolarHBondContact O-N 2.91Å; V304-N306 VanDerWaalsContact C-N 3.34Å; N306-T308 VanDerWaalsContact C-N 3.3Å; N306-T308 PolarHBondContact O-N 3.29Å; N306-N309 PolarHBondContact O-N 3.04Å; N306-S310 VanDerWaalsContact O-CB 3.26Å; N306-S310 WeakPolarHBondContact O-CB 3.27Å; N306-S310 PolarHBondContact O-N 3.22Å; N306-L316 HydrophobicContact CB-CD2 4.01Å; N306-L316 WeakPolarHBondContact OD1-CA 3.2Å; N306-E317 PolarHBondContact ND2-O 3.49Å; N306-E317 PolarHBondContact OD1-N 3.46Å
307	I	97.6	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-47	168	-68.5	166.6	0	0	0	109.9	V12 H102 I104 Y279 A303 N309 S310 L311	V12-I307 HydrophobicContact CG1-CD1 4.03Å; V12-I307 HydrophobicContact CG2-CD1 4.46Å; V12-I307 HydrophobicContact CG2-CG2 4.15Å; H102-I307 HydrophobicContact CB-CD1 4.14Å; H102-I307 HydrophobicContact CB-CG1 4.25Å; H102-I307 HydrophobicContact CB-CG2 4.46Å; I104-I307 HydrophobicContact CD1-CD1 3.73Å; I104-I307 HydrophobicContact CG1-CD1 3.86Å; Y279-I307 HydrophobicContact CD2-CD1 4.23Å; Y279-I307 HydrophobicContact CD2-CG1 4.07Å; Y279-I307 HydrophobicContact CE2-CD1 4.19Å; Y279-I307 HydrophobicContact CE2-CG1 3.53Å; A303-I307 WeakPolarHBondContact O-CG1 3.26Å; A303-I307 PolarHBondContact O-N 2.84Å; I307-N309 PolarHBondContact O-N 3.41Å; I307-S310 PolarHBondContact O-N 2.85Å; I307-L311 HydrophobicContact CG2-CD1 4.13Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.76Å; I307-L311 VanDerWaalsContact O-N 3.11Å
308	T	95.8	Very high	96.9	Very high	22 Å²	22	43.5 Å²	43.5	14%	0.135	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-44.2	178.7	-50.4	0	0	0	0	111.5	R31 V304 A305 N306 L311 M312	R31-T308 PolarHBondContact NH1-OG1 3.29Å; V304-T308 PolarHBondContact O-N 3.1Å; V304-T308 VanDerWaalsContact O-N 3.11Å; V304-T308 PolarHBondContact O-OG1 3.01Å; A305-T308 CarbonylContact O-C 3.45Å; A305-T308 WeakPolarHBondContact O-CB 3.47Å; A305-T308 PolarHBondContact O-N 2.85Å; A305-T308 VanDerWaalsContact O-N 3.15Å; N306-T308 VanDerWaalsContact C-N 3.3Å; N306-T308 PolarHBondContact O-N 3.29Å; T308-L311 PolarHBondContact O-N 3.47Å; T308-M312 HydrophobicContact CG2-SD 4.09Å; T308-M312 VanDerWaalsContact O-CG 3.27Å; T308-M312 WeakPolarHBondContact O-CG 3.45Å; T308-M312 PolarHBondContact O-N 3.45Å; T308-M312 VanDerWaalsContact O-N 3.16Å
309	N	97.2	Very high	97	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-42.2	-179.2	-72.2	-22.6	0	0	0	111.4	A305 N306 I307 M312 G313 K314 H315 L316	A305-N309 WeakPolarHBondContact O-CB 3.45Å; A305-N309 VanDerWaalsContact O-CG 3.28Å; A305-N309 PolarHBondContact O-N 3.27Å; A305-N309 PolarHBondContact O-ND2 2.97Å; N306-N309 PolarHBondContact O-N 3.04Å; I307-N309 PolarHBondContact O-N 3.41Å; N309-M312 CarbonylContact O-C 3.59Å; N309-M312 PolarHBondContact O-N 3.13Å; N309-M312 VanDerWaalsContact O-N 3.13Å; N309-G313 PolarHBondContact O-N 2.79Å; N309-K314 HydrophobicContact CB-CB 3.94Å; N309-K314 PolarHBondContact O-N 2.81Å; N309-H315 PolarHBondContact ND2-O 3.41Å; N309-L316 HydrophobicContact CB-CD2 4.1Å
310	S	95.2	Very high	96.8	Very high	57 Å²	57	47.4 Å²	47.4	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-49.2	174.7	-178.6	0	0	0	0	111.7	N306 I307 M312 G313	N306-S310 VanDerWaalsContact O-CB 3.26Å; N306-S310 WeakPolarHBondContact O-CB 3.27Å; N306-S310 PolarHBondContact O-N 3.22Å; I307-S310 PolarHBondContact O-N 2.85Å; S310-M312 PolarHBondContact O-N 3.16Å; S310-G313 PolarHBondContact O-N 2.83Å
311	L	91.2	Very high	96.6	Very high	59 Å²	59	50.4 Å²	50.4	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-26.8	177.3	-67.3	171.5	0	0	0	113.5	V5 V10 I307 T308	V5-L311 HydrophobicContact CG1-CB 4.43Å; V10-L311 HydrophobicContact CG1-CD1 3.76Å; V10-L311 HydrophobicContact CG1-CD2 4.45Å; V10-L311 HydrophobicContact CG2-CD1 4.02Å; V10-L311 HydrophobicContact CG2-CD2 3.58Å; V10-L311 HydrophobicContact CG2-CG 4.45Å; I307-L311 HydrophobicContact CG2-CD1 4.13Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.76Å; I307-L311 VanDerWaalsContact O-N 3.11Å; T308-L311 PolarHBondContact O-N 3.47Å
312	M	92.6	Very high	96.2	Very high	67 Å²	67	52.2 Å²	52.2	33%	0.33	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.3	179	-64.5	-176.7	83.7	0	0	113.6	V5 T308 N309 S310 K314	V5-M312 HydrophobicContact CG2-CG 4.18Å; T308-M312 HydrophobicContact CG2-SD 4.09Å; T308-M312 VanDerWaalsContact O-CG 3.27Å; T308-M312 WeakPolarHBondContact O-CG 3.45Å; T308-M312 PolarHBondContact O-N 3.45Å; T308-M312 VanDerWaalsContact O-N 3.16Å; N309-M312 CarbonylContact O-C 3.59Å; N309-M312 PolarHBondContact O-N 3.13Å; N309-M312 VanDerWaalsContact O-N 3.13Å; S310-M312 PolarHBondContact O-N 3.16Å; M312-K314 VanDerWaalsContact C-N 3.25Å; M312-K314 HydrophobicContact CB-CD 4.03Å; M312-K314 HydrophobicContact CB-CG 3.93Å; M312-K314 VanDerWaalsContact CE-NZ 3.32Å; M312-K314 PolarHBondContact O-N 3.17Å; M312-K314 HydrophobicContact SD-CD 4.13Å; M312-K314 PolarHBondContact SD-NZ 3.02Å; M312-K314 VanDerWaalsContact SD-NZ 3.45Å
313	G	93.1	Very high	95.8	Very high	74 Å²	74	54.7 Å²	54.7	76%	0.763	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	28.5	-173	0	0	0	0	0	114	N309 S310	N309-G313 PolarHBondContact O-N 2.79Å; S310-G313 PolarHBondContact O-N 2.83Å
314	K	96.5	Very high	95.4	Very high	111 Å²	111	56.2 Å²	56.2	48%	0.483	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-94.3	161.2	177.9	-67.5	178.7	178.7	175.4	0	111.4	N309 M312	N309-K314 HydrophobicContact CB-CB 3.94Å; N309-K314 PolarHBondContact O-N 2.81Å; M312-K314 VanDerWaalsContact C-N 3.25Å; M312-K314 HydrophobicContact CB-CD 4.03Å; M312-K314 HydrophobicContact CB-CG 3.93Å; M312-K314 VanDerWaalsContact CE-NZ 3.32Å; M312-K314 PolarHBondContact O-N 3.17Å; M312-K314 HydrophobicContact SD-CD 4.13Å; M312-K314 PolarHBondContact SD-NZ 3.02Å; M312-K314 VanDerWaalsContact SD-NZ 3.45Å
315	H	97.1	Very high	95.1	Very high	181 Å²	181	57.5 Å²	57.5	84%	0.838	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-59.9	140.6	171.7	-67.6	-69.3	0	0	0	111.9	N309	N309-H315 PolarHBondContact ND2-O 3.41Å
316	L	98.3	Very high	95	Very high	49 Å²	49	57.9 Å²	57.9	26%	0.257	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-78	144	175.3	-55.8	-174.8	0	0	0	110.7	H269 N306 N309	H269-L316 HydrophobicContact CB-CB 4.34Å; H269-L316 HydrophobicContact CB-CD1 4.15Å; N306-L316 HydrophobicContact CB-CD2 4.01Å; N306-L316 WeakPolarHBondContact OD1-CA 3.2Å; N309-L316 HydrophobicContact CB-CD2 4.1Å
317	E	98.3	Very high	94.9	Very high	99 Å²	99	60 Å²	60	46%	0.463	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-76.2	139.8	171.7	-64.4	-178.6	-168.6	0	0	110.4	H269 N306	H269-E317 PolarHBondContact ND1-O 2.84Å; N306-E317 PolarHBondContact ND2-O 3.49Å; N306-E317 PolarHBondContact OD1-N 3.46Å
318	S	97.9	Very high	94.9	Very high	62 Å²	62	60.1 Å²	60.1	43%	0.434	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-96.4	138.2	174.9	-58.5	0	0	0	0	110.9	V268 H269	V268-S318 CarbonylContact O-C 3.59Å; V268-S318 WeakPolarHBondContact O-CA 3.35Å; H269-S318 PolarHBondContact CE1-OG 3.35Å
319	Y	98.1	Very high	95	Very high	23 Å²	23	59.1 Å²	59.1	9%	0.09	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-98.8	130.1	169.3	-175.7	-100.3	0	0	0	110.5	V268 L270 V287 E289 H295 L298 H299 V302 P321	V268-Y319 PolarHBondContact O-N 3.46Å; L270-Y319 HydrophobicContact CD1-CG 4.36Å; L270-Y319 HydrophobicContact CD2-CD1 4.07Å; L270-Y319 HydrophobicContact CD2-CG 4.26Å; L270-Y319 HydrophobicContact CG-CG 4.48Å; V287-Y319 HydrophobicContact CG1-CD1 4.24Å; V287-Y319 HydrophobicContact CG1-CE1 3.87Å; E289-Y319 PolarHBondContact OE1-OH 3.11Å; E289-Y319 PolarHBondContact OE2-OH 2.94Å; H295-Y319 PolarHBondContact ND1-OH 3.28Å; H295-Y319 VanDerWaalsContact ND1-OH 3.12Å; L298-Y319 HydrophobicContact CB-CE2 3.97Å; L298-Y319 HydrophobicContact CD1-CE2 4.47Å; H299-Y319 AromaticContact CD2-CD1 3.97Å; H299-Y319 AromaticContact CD2-CE1 3.52Å; H299-Y319 AromaticContact CD2-CE2 3.65Å; H299-Y319 AromaticContact CD2-CZ 3.32Å; H299-Y319 AromaticContact NE2-CD1 3.79Å; H299-Y319 AromaticContact NE2-CE1 3.07Å; H299-Y319 WeakPolarHBondContact NE2-CE1 3.38Å; H299-Y319 AromaticContact NE2-CZ 3.18Å; H299-Y319 PolarHBondContact NE2-OH 3.07Å; V302-Y319 HydrophobicContact CG2-CD2 4.1Å; Y319-P321 HydrophobicContact CE1-CG 4.32Å
320	H	95.4	Very high	95	Very high	130 Å²	130	58.1 Å²	58.1	60%	0.602	34%	0.339	S	S	*	.			trans	-131	128.2	173.2	-62	-61.6	0	0	0	109.1	G322	H320-G322 PolarHBondContact O-N 2.77Å
321	P	93.3	Very high	95.1	Very high	64 Å²	64	55.4 Å²	55.4	42%	0.416	32%	0.32	S	S	.	.			trans	-53.2	131.4	175.4	-30.7	37.9	0	0	0	112.4	V287 E289 Y319	V287-P321 HydrophobicContact CG1-CG 3.74Å; E289-P321 HydrophobicContact CB-CB 4.12Å; E289-P321 HydrophobicContact CB-CG 4.4Å; E289-P321 WeakPolarHBondContact OE2-CB 3.35Å; Y319-P321 HydrophobicContact CE1-CG 4.32Å
322	G	89.4	Confident	95.3	Very high	56 Å²	56	56.5 Å²	56.5	58%	0.577	32%	0.323	S	S	*	.			trans	-83.9	-177.3	172.8	0	0	0	0	0	112.4	H320	H320-G322 PolarHBondContact O-N 2.77Å
323	S	90.3	Very high	95.5	Very high	68 Å²	68	57.5 Å²	57.5	48%	0.476	33%	0.33	S	S	.	.	S	Bend	trans	-66.4	143.3	170.7	-53.4	0	0	0	0	111.3	T325 N340	S323-T325 PolarHBondContact O-N 2.89Å; S323-N340 VanDerWaalsContact CB-OD1 3.31Å; S323-N340 WeakPolarHBondContact CB-OD1 3.35Å
324	V	90.2	Very high	95.8	Very high	32 Å²	32	54.6 Å²	54.6	19%	0.194	30%	0.297	C	S	.	.			trans	-57	123.1	-175.6	175	0	0	0	0	111.1	E181 P290 M326 Q338 G341	E181-V324 HydrophobicContact CB-CG2 4.32Å; P290-V324 HydrophobicContact CG-CG1 4.07Å; P290-V324 HydrophobicContact CG-CG2 4.02Å; V324-M326 HydrophobicContact CG1-CB 4.31Å; V324-Q338 HydrophobicContact CG1-CG 4.42Å; V324-Q338 PolarHBondContact O-NE2 2.74Å; V324-G341 PolarHBondContact O-N 2.86Å
325	T	93.1	Very high	95.8	Very high	27 Å²	27	49.3 Å²	49.3	17%	0.166	27%	0.274	C	S	.	.			trans	-123.3	105.5	172.4	-65.6	0	0	0	0	108.4	M292 S323 Q338 F339 N340	M292-T325 WeakPolarHBondContact CE-O 3.43Å; M292-T325 VanDerWaalsContact SD-O 3.37Å; S323-T325 PolarHBondContact O-N 2.89Å; T325-Q338 WeakPolarHBondContact CA-O 3.5Å; T325-F339 HydrophobicContact CG2-CB 4.46Å; T325-F339 HydrophobicContact CG2-CD2 3.47Å; T325-F339 VanDerWaalsContact CG2-CD2 3.47Å; T325-F339 HydrophobicContact CG2-CE2 4.02Å; T325-F339 HydrophobicContact CG2-CG 4.27Å; T325-N340 PolarHBondContact OG1-N 2.8Å
326	M	95.1	Very high	95.9	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.069	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.1	-177	178.1	-174.7	-71	0	0	109.2	D179 L182 P290 M292 V324 L328 G337 Q338	D179-M326 HydrophobicContact CB-CE 4.29Å; D179-M326 HydrophobicContact CB-SD 4.26Å; L182-M326 HydrophobicContact CD1-SD 3.75Å; L182-M326 HydrophobicContact CD2-CB 3.71Å; L182-M326 HydrophobicContact CD2-CG 3.99Å; L182-M326 HydrophobicContact CD2-SD 3.79Å; L182-M326 HydrophobicContact CG-SD 3.7Å; P290-M326 HydrophobicContact CB-CE 3.56Å; P290-M326 HydrophobicContact CG-CE 4.27Å; M292-M326 HydrophobicContact CE-CB 4.5Å; M292-M326 HydrophobicContact CG-CE 4.21Å; M292-M326 HydrophobicContact SD-CB 3.76Å; M292-M326 HydrophobicContact SD-CE 3.71Å; M292-M326 HydrophobicContact SD-CG 3.92Å; V324-M326 HydrophobicContact CG1-CB 4.31Å; M326-L328 HydrophobicContact CG-CD2 4.28Å; M326-L328 HydrophobicContact SD-CD2 4.33Å; M326-G337 CarbonylContact O-C 3.59Å; M326-G337 WeakPolarHBondContact O-CA 3.27Å; M326-Q338 PolarHBondContact N-O 2.73Å; M326-Q338 PolarHBondContact O-N 3.41Å
327	L	96.5	Very high	95.8	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.225	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.2	-177.4	-57.2	-174.1	0	0	0	107.8	L344 V349 K353	L327-L344 HydrophobicContact CD2-CD1 3.71Å; L327-V349 HydrophobicContact CB-CG1 3.99Å; L327-V349 HydrophobicContact CD2-CG1 4.2Å; L327-V349 HydrophobicContact CD2-CG2 4.16Å; L327-V349 HydrophobicContact CG-CG1 4.48Å; L327-K353 HydrophobicContact CB-CB 4.25Å; L327-K353 HydrophobicContact CB-CD 3.65Å; L327-K353 HydrophobicContact CD1-CB 4.03Å; L327-K353 VanDerWaalsContact O-CD 3.31Å; L327-K353 WeakPolarHBondContact O-CD 3.42Å; L327-K353 WeakPolarHBondContact O-CE 3.5Å; L327-K353 PolarHBondContact O-NZ 2.76Å
328	L	97.5	Very high	95.7	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.9	176.2	-54.7	-179	0	0	0	109.1	S150 V153 E154 A178 L182 M326 M330 G335 V336	S150-L328 WeakPolarHBondContact OG-CD2 3.32Å; V153-L328 HydrophobicContact CG1-CD1 4.45Å; E154-L328 HydrophobicContact CG-CB 4.2Å; E154-L328 HydrophobicContact CG-CD2 4.38Å; E154-L328 WeakPolarHBondContact OE1-CA 3.17Å; A178-L328 HydrophobicContact CB-CD1 3.82Å; L182-L328 HydrophobicContact CD1-CD1 3.94Å; M326-L328 HydrophobicContact CG-CD2 4.28Å; M326-L328 HydrophobicContact SD-CD2 4.33Å; L328-M330 HydrophobicContact CB-SD 4.39Å; L328-G335 VanDerWaalsContact O-CA 3.26Å; L328-G335 WeakPolarHBondContact O-CA 3.42Å; L328-V336 HydrophobicContact CB-CG2 3.9Å; L328-V336 HydrophobicContact CD1-CG2 4.23Å; L328-V336 HydrophobicContact CG-CG2 4.46Å; L328-V336 PolarHBondContact N-O 3.27Å; L328-V336 PolarHBondContact O-N 2.63Å
329	A	97.8	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.6	172.1	0	0	0	0	0	108.8	E154 G331 L357	E154-A329 WeakPolarHBondContact CG-O 3.37Å; E154-A329 PolarHBondContact OE1-N 3.37Å; A329-G331 VanDerWaalsContact C-N 3.28Å; A329-G331 PolarHBondContact O-N 2.72Å; A329-L357 HydrophobicContact CB-CD2 3.61Å
330	M	98.1	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-100.5	51.4	178.2	-57.2	-58.5	-70.6	0	0	108.9	V153 A157 A190 V193 L194 K197 L328 D334 V336	V153-M330 HydrophobicContact CG1-CE 3.78Å; V153-M330 HydrophobicContact CG1-SD 3.73Å; A157-M330 VanDerWaalsContact CB-C 3.47Å; A157-M330 VanDerWaalsContact CB-CA 3.5Å; A157-M330 HydrophobicContact CB-CB 4.13Å; A157-M330 HydrophobicContact CB-CE 4.09Å; A157-M330 HydrophobicContact CB-SD 4.38Å; A190-M330 WeakPolarHBondContact O-CE 3.36Å; V193-M330 HydrophobicContact CB-CE 3.95Å; V193-M330 HydrophobicContact CG1-CB 3.65Å; V193-M330 HydrophobicContact CG1-CE 3.8Å; V193-M330 HydrophobicContact CG1-CG 3.98Å; L194-M330 HydrophobicContact CD2-CE 3.5Å; L194-M330 HydrophobicContact CG-CE 3.72Å; K197-M330 WeakPolarHBondContact CE-O 3.4Å; K197-M330 PolarHBondContact NZ-O 3Å; L328-M330 HydrophobicContact CB-SD 4.39Å; M330-D334 HydrophobicContact CB-CB 4.05Å; M330-D334 PolarHBondContact N-O 2.83Å; M330-V336 HydrophobicContact CG-CB 4.5Å; M330-V336 HydrophobicContact CG-CG1 4.08Å; M330-V336 HydrophobicContact CG-CG2 3.93Å; M330-V336 HydrophobicContact SD-CG2 3.95Å
331	G	97.2	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	84.3	174	-163	0	0	0	0	0	113.1	E158 T161 A329 N333 D334 S354	E158-G331 WeakPolarHBondContact OE1-CA 3.25Å; T161-G331 WeakPolarHBondContact OG1-CA 3.44Å; A329-G331 VanDerWaalsContact C-N 3.28Å; A329-G331 PolarHBondContact O-N 2.72Å; G331-N333 PolarHBondContact O-N 3.25Å; G331-N333 VanDerWaalsContact O-N 3.16Å; G331-D334 VanDerWaalsContact O-O 3.06Å; G331-S354 WeakPolarHBondContact O-CB 3.48Å
332	H	96.4	Very high	94.9	Very high	83 Å²	83	38 Å²	38	38%	0.384	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.6	-177.5	73.8	84.8	0	0	0	114.3	T161	T161-H332 VanDerWaalsContact CG2-CD2 3.41Å; T161-H332 WeakPolarHBondContact CG2-CD2 3.28Å
333	N	96.6	Very high	95.2	Very high	88 Å²	88	41.7 Å²	41.7	47%	0.471	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-0.9	-173.3	64.9	-2.4	0	0	0	114.7	K197 G331	K197-N333 PolarHBondContact NZ-OD1 2.93Å; G331-N333 PolarHBondContact O-N 3.25Å; G331-N333 VanDerWaalsContact O-N 3.16Å
334	D	97.9	Very high	95.6	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	21%	0.205	C	C	.	.			trans	-153.4	163.7	-176	-159.1	-0.6	0	0	0	112.3	V193 M330 G331 R346 T350 S354	V193-D334 VanDerWaalsContact CG1-OD2 3.3Å; V193-D334 WeakPolarHBondContact CG1-OD2 3.3Å; M330-D334 HydrophobicContact CB-CB 4.05Å; M330-D334 PolarHBondContact N-O 2.83Å; G331-D334 VanDerWaalsContact O-O 3.06Å; D334-R346 IonicContact OD1-CZ 3.67Å; D334-R346 IonicContact OD1-NE 3.37Å; D334-R346 PolarHBondContact OD1-NE 3.05Å; D334-R346 IonicContact OD1-NH2 2.94Å; D334-R346 IonicContact OD2-CZ 3.72Å; D334-R346 VanDerWaalsContact OD2-CZ 3.27Å; D334-R346 IonicContact OD2-NE 3.52Å; D334-R346 PolarHBondContact OD2-NE 3.26Å; D334-R346 IonicContact OD2-NH2 3.73Å; D334-R346 PolarHBondContact OD2-NH2 3.11Å; D334-T350 VanDerWaalsContact C-OG1 3.27Å; D334-T350 VanDerWaalsContact CA-OG1 3.23Å; D334-T350 WeakPolarHBondContact CA-OG1 3.41Å; D334-S354 WeakPolarHBondContact O-CB 3.29Å; D334-S354 PolarHBondContact O-OG 3.1Å
335	G	97.7	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	149.7	-179.8	0	0	0	0	0	112.7	L328 R346 T350 S354	L328-G335 VanDerWaalsContact O-CA 3.26Å; L328-G335 WeakPolarHBondContact O-CA 3.42Å; G335-R346 VanDerWaalsContact O-CA 3.23Å; G335-R346 WeakPolarHBondContact O-CA 3.47Å; G335-R346 WeakPolarHBondContact O-CB 3.3Å; G335-R346 WeakPolarHBondContact O-CG 3.13Å; G335-T350 PolarHBondContact N-OG1 3.05Å; G335-S354 WeakPolarHBondContact CA-OG 3.48Å
336	V	98.2	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.4	176.5	-60	0	0	0	0	109.1	Q189 A190 V193 L328 M330 R346	Q189-V336 HydrophobicContact CB-CG1 4.24Å; Q189-V336 HydrophobicContact CG-CG1 3.71Å; A190-V336 HydrophobicContact CB-CG2 3.83Å; V193-V336 HydrophobicContact CG2-CG1 4.05Å; L328-V336 HydrophobicContact CB-CG2 3.9Å; L328-V336 HydrophobicContact CD1-CG2 4.23Å; L328-V336 HydrophobicContact CG-CG2 4.46Å; L328-V336 PolarHBondContact N-O 3.27Å; L328-V336 PolarHBondContact O-N 2.63Å; M330-V336 HydrophobicContact CG-CB 4.5Å; M330-V336 HydrophobicContact CG-CG1 4.08Å; M330-V336 HydrophobicContact CG-CG2 3.93Å; M330-V336 HydrophobicContact SD-CG2 3.95Å; V336-R346 HydrophobicContact CG1-CG 4.43Å
337	G	97.2	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-178.3	-179.9	0	0	0	0	0	113.9	M326 L344	M326-G337 CarbonylContact O-C 3.59Å; M326-G337 WeakPolarHBondContact O-CA 3.27Å; G337-L344 PolarHBondContact O-N 2.84Å
338	Q	96.2	Very high	96.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.1	174.8	61.3	-174.9	76.1	0	0	111	L182 L183 V186 V324 T325 M326 L342	L182-Q338 HydrophobicContact CD2-CG 3.9Å; L183-Q338 HydrophobicContact CD1-CB 4.42Å; V186-Q338 HydrophobicContact CG2-CB 4.14Å; V324-Q338 HydrophobicContact CG1-CG 4.42Å; V324-Q338 PolarHBondContact O-NE2 2.74Å; T325-Q338 WeakPolarHBondContact CA-O 3.5Å; M326-Q338 PolarHBondContact N-O 2.73Å; M326-Q338 PolarHBondContact O-N 3.41Å; Q338-L342 CarbonylContact C-O 3.59Å; Q338-L342 WeakPolarHBondContact CA-O 3.43Å; Q338-L342 VanDerWaalsContact CB-O 3.22Å; Q338-L342 WeakPolarHBondContact CB-O 3.23Å
339	F	94.7	Very high	96.1	Very high	119 Å²	119	49.7 Å²	49.7	52%	0.522	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.4	171.9	-176.7	-89.4	0	0	0	108.6	T325 G341 L342 L344	T325-F339 HydrophobicContact CG2-CB 4.46Å; T325-F339 HydrophobicContact CG2-CD2 3.47Å; T325-F339 VanDerWaalsContact CG2-CD2 3.47Å; T325-F339 HydrophobicContact CG2-CE2 4.02Å; T325-F339 HydrophobicContact CG2-CG 4.27Å; F339-G341 PolarHBondContact O-N 2.84Å; F339-L342 PolarHBondContact N-O 2.91Å; F339-L342 PolarHBondContact O-N 3.22Å; F339-L344 HydrophobicContact CB-CD1 3.89Å; F339-L344 HydrophobicContact CB-CD2 3.91Å; F339-L344 HydrophobicContact CB-CG 3.99Å
340	N	89.9	Confident	96.1	Very high	93 Å²	93	50.3 Å²	50.3	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	44.1	179.7	-160.1	41.8	0	0	0	113.2	S323 T325 L342	S323-N340 VanDerWaalsContact CB-OD1 3.31Å; S323-N340 WeakPolarHBondContact CB-OD1 3.35Å; T325-N340 PolarHBondContact OG1-N 2.8Å; N340-L342 VanDerWaalsContact C-N 3.3Å; N340-L342 PolarHBondContact O-N 2.97Å
341	G	88.6	Confident	95.9	Very high	29 Å²	29	56.3 Å²	56.3	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	6.5	-179.1	0	0	0	0	0	116.1	L183 V324 F339	L183-G341 WeakPolarHBondContact CD1-O 3.24Å; V324-G341 PolarHBondContact O-N 2.86Å; F339-G341 PolarHBondContact O-N 2.84Å
342	L	94.2	Very high	95.7	Very high	124 Å²	124	58.4 Å²	58.4	65%	0.649	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.8	176.6	-63.2	173.7	0	0	0	111.2	Q338 F339 N340 L344	Q338-L342 CarbonylContact C-O 3.59Å; Q338-L342 WeakPolarHBondContact CA-O 3.43Å; Q338-L342 VanDerWaalsContact CB-O 3.22Å; Q338-L342 WeakPolarHBondContact CB-O 3.23Å; F339-L342 PolarHBondContact N-O 2.91Å; F339-L342 PolarHBondContact O-N 3.22Å; N340-L342 VanDerWaalsContact C-N 3.3Å; N340-L342 PolarHBondContact O-N 2.97Å; L342-L344 PolarHBondContact O-N 2.88Å
343	R	96.9	Very high	95.6	Very high	134 Å²	134	55.4 Å²	55.4	51%	0.506	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	131.9	173	179.8	176.7	73.3	171	3.7	110.2	L183 V186	L183-R343 HydrophobicContact CD1-CB 4.29Å; V186-R343 HydrophobicContact CG2-CB 3.97Å; V186-R343 HydrophobicContact CG2-CG 3.81Å
344	L	97	Very high	95.5	Very high	39 Å²	39	51.2 Å²	51.2	20%	0.204	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-92.7	150.4	177.2	-67.5	-175.7	0	0	0	112.5	L327 G337 F339 L342 V349	L327-L344 HydrophobicContact CD2-CD1 3.71Å; G337-L344 PolarHBondContact O-N 2.84Å; F339-L344 HydrophobicContact CB-CD1 3.89Å; F339-L344 HydrophobicContact CB-CD2 3.91Å; F339-L344 HydrophobicContact CB-CG 3.99Å; L342-L344 PolarHBondContact O-N 2.88Å; L344-V349 HydrophobicContact CB-CG2 3.77Å; L344-V349 HydrophobicContact CD1-CG2 4.11Å
345	P	97.1	Very high	95.3	Very high	72 Å²	72	56 Å²	56	47%	0.468	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-57.6	139.5	162.8	-22.9	32.5	0	0	0	112.3	C347 L348 V349	P345-C347 VanDerWaalsContact C-N 3.27Å; P345-C347 PolarHBondContact O-N 3Å; P345-L348 HydrophobicContact CB-CG 4.33Å; P345-L348 HydrophobicContact CG-CD1 4.15Å; P345-L348 HydrophobicContact CG-CG 4.42Å; P345-L348 PolarHBondContact O-N 3.03Å; P345-V349 PolarHBondContact O-N 2.85Å
346	R	97	Very high	95.1	Very high	78 Å²	78	60.5 Å²	60.5	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-52.2	-42.3	-179.4	-75.8	164.6	67.6	172	0.9	113.2	E196 D334 G335 V336 L348 V349 T350	E196-R346 IonicContact OE1-NH1 3.73Å; E196-R346 PolarHBondContact OE1-NH1 3.06Å; E196-R346 IonicContact OE2-CZ 3.27Å; E196-R346 IonicContact OE2-NH1 3.27Å; E196-R346 PolarHBondContact OE2-NH1 3.23Å; E196-R346 IonicContact OE2-NH2 2.63Å; E196-R346 PolarHBondContact OE2-NH2 3.19Å; D334-R346 IonicContact OD1-CZ 3.67Å; D334-R346 IonicContact OD1-NE 3.37Å; D334-R346 PolarHBondContact OD1-NE 3.05Å; D334-R346 IonicContact OD1-NH2 2.94Å; D334-R346 IonicContact OD2-CZ 3.72Å; D334-R346 VanDerWaalsContact OD2-CZ 3.27Å; D334-R346 IonicContact OD2-NE 3.52Å; D334-R346 PolarHBondContact OD2-NE 3.26Å; D334-R346 IonicContact OD2-NH2 3.73Å; D334-R346 PolarHBondContact OD2-NH2 3.11Å; G335-R346 VanDerWaalsContact O-CA 3.23Å; G335-R346 WeakPolarHBondContact O-CA 3.47Å; G335-R346 WeakPolarHBondContact O-CB 3.3Å; G335-R346 WeakPolarHBondContact O-CG 3.13Å; V336-R346 HydrophobicContact CG1-CG 4.43Å; R346-L348 VanDerWaalsContact C-N 3.32Å; R346-L348 PolarHBondContact O-N 3.44Å; R346-V349 PolarHBondContact O-N 2.89Å; R346-T350 WeakPolarHBondContact O-CB 3.37Å; R346-T350 PolarHBondContact O-N 2.82Å; R346-T350 PolarHBondContact O-OG1 2.82Å
347	C	96.3	Very high	95	Very high	75 Å²	75	60.6 Å²	60.6	51%	0.507	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-35.4	-179.2	60.9	0	0	0	0	113.2	P345 T350 Q351	P345-C347 VanDerWaalsContact C-N 3.27Å; P345-C347 PolarHBondContact O-N 3Å; C347-T350 PolarHBondContact O-N 2.98Å; C347-Q351 WeakPolarHBondContact O-CB 3.41Å; C347-Q351 VanDerWaalsContact O-CG 3.32Å; C347-Q351 WeakPolarHBondContact O-CG 3.24Å; C347-Q351 PolarHBondContact O-N 2.82Å
348	L	96.6	Very high	94.9	Very high	91 Å²	91	63.6 Å²	63.6	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-69.8	-41.8	177.1	-65.8	-172.1	0	0	0	111	P345 R346 T350 Q351 G352	P345-L348 HydrophobicContact CB-CG 4.33Å; P345-L348 HydrophobicContact CG-CD1 4.15Å; P345-L348 HydrophobicContact CG-CG 4.42Å; P345-L348 PolarHBondContact O-N 3.03Å; R346-L348 VanDerWaalsContact C-N 3.32Å; R346-L348 PolarHBondContact O-N 3.44Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 3.47Å; L348-Q351 PolarHBondContact O-N 2.93Å; L348-G352 PolarHBondContact O-N 3.46Å
349	V	96.9	Very high	94.9	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-41.8	175.1	-172.9	0	0	0	0	110.6	L327 L344 P345 R346 G352 K353 S354	L327-V349 HydrophobicContact CB-CG1 3.99Å; L327-V349 HydrophobicContact CD2-CG1 4.2Å; L327-V349 HydrophobicContact CD2-CG2 4.16Å; L327-V349 HydrophobicContact CG-CG1 4.48Å; L344-V349 HydrophobicContact CB-CG2 3.77Å; L344-V349 HydrophobicContact CD1-CG2 4.11Å; P345-V349 PolarHBondContact O-N 2.85Å; R346-V349 PolarHBondContact O-N 2.89Å; V349-G352 PolarHBondContact O-N 3.08Å; V349-K353 PolarHBondContact O-N 3.32Å; V349-S354 PolarHBondContact O-N 3.44Å; V349-S354 VanDerWaalsContact O-N 3.12Å
350	T	96.7	Very high	94.9	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.08	34%	0.336	C	S	.	.	I	π-helix	trans	-60.5	-49.4	178.1	-55.9	0	0	0	0	111.6	D334 G335 R346 C347 L348 S354 K355	D334-T350 VanDerWaalsContact C-OG1 3.27Å; D334-T350 VanDerWaalsContact CA-OG1 3.23Å; D334-T350 WeakPolarHBondContact CA-OG1 3.41Å; G335-T350 PolarHBondContact N-OG1 3.05Å; R346-T350 WeakPolarHBondContact O-CB 3.37Å; R346-T350 PolarHBondContact O-N 2.82Å; R346-T350 PolarHBondContact O-OG1 2.82Å; C347-T350 PolarHBondContact O-N 2.98Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 3.47Å; T350-S354 PolarHBondContact O-N 2.8Å; T350-K355 HydrophobicContact CG2-CG 4.17Å; T350-K355 WeakPolarHBondContact O-CG 3.44Å; T350-K355 PolarHBondContact O-N 3.43Å
351	Q	94.8	Very high	95.2	Very high	127 Å²	127	64.8 Å²	64.8	59%	0.593	33%	0.33	S	S	*	.	I	π-helix	trans	-68.7	-40	179.4	-71	178	-1.5	0	0	112.4	C347 L348	C347-Q351 WeakPolarHBondContact O-CB 3.41Å; C347-Q351 VanDerWaalsContact O-CG 3.32Å; C347-Q351 WeakPolarHBondContact O-CG 3.24Å; C347-Q351 PolarHBondContact O-N 2.82Å; L348-Q351 PolarHBondContact O-N 2.93Å
352	G	92.4	Very high	95.6	Very high	43 Å²	43	63.7 Å²	63.7	44%	0.443	32%	0.317	S	S	.	.	I	π-helix	trans	-79.1	-39.5	-174.9	0	0	0	0	0	114.5	L348 V349 L358	L348-G352 PolarHBondContact O-N 3.46Å; V349-G352 PolarHBondContact O-N 3.08Å; G352-L358 WeakPolarHBondContact O-CD2 2.96Å
353	K	94.4	Very high	95.7	Very high	21 Å²	21	58.7 Å²	58.7	9%	0.091	29%	0.29	C	S	.	.	I	π-helix	trans	-119.4	-62	179.6	-175.9	-175	178.9	-164.1	0	111.4	E154 L327 V349 K355 N356 L357	E154-K353 IonicContact OE1-NZ 2.9Å; E154-K353 PolarHBondContact OE1-NZ 3.05Å; E154-K353 IonicContact OE2-NZ 3.47Å; L327-K353 HydrophobicContact CB-CB 4.25Å; L327-K353 HydrophobicContact CB-CD 3.65Å; L327-K353 HydrophobicContact CD1-CB 4.03Å; L327-K353 VanDerWaalsContact O-CD 3.31Å; L327-K353 WeakPolarHBondContact O-CD 3.42Å; L327-K353 WeakPolarHBondContact O-CE 3.5Å; L327-K353 PolarHBondContact O-NZ 2.76Å; V349-K353 PolarHBondContact O-N 3.32Å; K353-K355 VanDerWaalsContact C-N 3.35Å; K353-K355 PolarHBondContact O-N 3.13Å; K353-K355 VanDerWaalsContact O-N 3.15Å; K353-N356 PolarHBondContact O-N 3.38Å; K353-L357 HydrophobicContact CG-CD2 4.37Å; K353-L357 WeakPolarHBondContact O-CA 3.23Å; K353-L357 PolarHBondContact O-N 2.93Å
354	S	95.4	Very high	95.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-60.9	-37.2	-157.6	-44.5	0	0	0	0	114.7	R52 G331 D334 G335 V349 T350 N356	R52-S354 PolarHBondContact NH1-O 2.91Å; R52-S354 PolarHBondContact NH2-O 2.91Å; G331-S354 WeakPolarHBondContact O-CB 3.48Å; D334-S354 WeakPolarHBondContact O-CB 3.29Å; D334-S354 PolarHBondContact O-OG 3.1Å; G335-S354 WeakPolarHBondContact CA-OG 3.48Å; V349-S354 PolarHBondContact O-N 3.44Å; V349-S354 VanDerWaalsContact O-N 3.12Å; T350-S354 PolarHBondContact O-N 2.8Å; S354-N356 PolarHBondContact O-N 2.89Å
355	K	93.2	Very high	95.5	Very high	112 Å²	112	62.1 Å²	62.1	49%	0.487	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-47.6	-179	-78	-176.8	179	-171.1	0	113.4	R52 T350 K353	R52-K355 PolarHBondContact NH1-O 2.93Å; R52-K355 VanDerWaalsContact NH1-O 3.15Å; T350-K355 HydrophobicContact CG2-CG 4.17Å; T350-K355 WeakPolarHBondContact O-CG 3.44Å; T350-K355 PolarHBondContact O-N 3.43Å; K353-K355 VanDerWaalsContact C-N 3.35Å; K353-K355 PolarHBondContact O-N 3.13Å; K353-K355 VanDerWaalsContact O-N 3.15Å
356	N	93	Very high	95.5	Very high	95 Å²	95	58.9 Å²	58.9	51%	0.508	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-1.5	-168.8	-58.4	-48.8	0	0	0	113.6	K353 S354 L358 L359	K353-N356 PolarHBondContact O-N 3.38Å; S354-N356 PolarHBondContact O-N 2.89Å; N356-L358 PolarHBondContact O-N 3.22Å; N356-L359 WeakPolarHBondContact O-CB 3.17Å; N356-L359 WeakPolarHBondContact O-CG 3.36Å; N356-L359 PolarHBondContact O-N 2.98Å
357	L	96.7	Very high	95.5	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	26.9	-179.3	-64.4	167.2	0	0	0	114	H46 A49 R52 F59 A329 K353 L359	H46-L357 PolarHBondContact NE2-O 2.92Å; A49-L357 HydrophobicContact CB-CB 3.78Å; A49-L357 HydrophobicContact CB-CD1 3.68Å; A49-L357 HydrophobicContact CB-CG 4.36Å; R52-L357 HydrophobicContact CB-CD1 3.79Å; F59-L357 HydrophobicContact CE1-CD1 4.47Å; F59-L357 HydrophobicContact CZ-CD1 4.09Å; A329-L357 HydrophobicContact CB-CD2 3.61Å; K353-L357 HydrophobicContact CG-CD2 4.37Å; K353-L357 WeakPolarHBondContact O-CA 3.23Å; K353-L357 PolarHBondContact O-N 2.93Å; L357-L359 PolarHBondContact O-N 3.17Å
358	L	95.4	Very high	95.5	Very high	62 Å²	62	56.3 Å²	56.3	33%	0.325	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	17.9	-176.7	-51.9	172.1	0	0	0	114.8	G352 N356 W360 K361	G352-L358 WeakPolarHBondContact O-CD2 2.96Å; N356-L358 PolarHBondContact O-N 3.22Å; L358-W360 VanDerWaalsContact C-N 3.27Å; L358-W360 PolarHBondContact O-N 2.99Å; L358-K361 WeakPolarHBondContact O-CB 3.38Å; L358-K361 PolarHBondContact O-N 2.59Å
359	L	96.6	Very high	95.4	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-55.8	-42.6	178.6	-74.6	167.8	0	0	0	112.4	H46 A49 F59 Q62 T63 N356 L357 K361 S362 W363	H46-L359 HydrophobicContact CB-CD2 3.84Å; A49-L359 HydrophobicContact CB-CD1 4.24Å; A49-L359 HydrophobicContact CB-CD2 4Å; A49-L359 HydrophobicContact CB-CG 4.17Å; F59-L359 HydrophobicContact CE1-CD1 4.15Å; F59-L359 HydrophobicContact CZ-CD1 3.81Å; Q62-L359 HydrophobicContact CB-CD1 4.43Å; Q62-L359 HydrophobicContact CG-CD1 3.89Å; Q62-L359 WeakPolarHBondContact O-CD2 3.46Å; T63-L359 HydrophobicContact CG2-CD2 4.37Å; N356-L359 WeakPolarHBondContact O-CB 3.17Å; N356-L359 WeakPolarHBondContact O-CG 3.36Å; N356-L359 PolarHBondContact O-N 2.98Å; L357-L359 PolarHBondContact O-N 3.17Å; L359-K361 PolarHBondContact O-N 3.46Å; L359-K361 VanDerWaalsContact O-N 3.07Å; L359-S362 PolarHBondContact O-N 3.07Å; L359-S362 VanDerWaalsContact O-N 3.07Å; L359-W363 VanDerWaalsContact O-CD1 3.25Å; L359-W363 PolarHBondContact O-N 2.66Å
360	W	94.8	Very high	95.2	Very high	150 Å²	150	64 Å²	64	57%	0.568	33%	0.329	S	S	*	.	H	α-helix	trans	-51.7	-34.9	177.9	69.2	-94.5	0	0	0	112.8	L358 K364	L358-W360 VanDerWaalsContact C-N 3.27Å; L358-W360 PolarHBondContact O-N 2.99Å; W360-K364 HydrophobicContact CZ3-CD 4.49Å; W360-K364 VanDerWaalsContact O-CB 3.28Å; W360-K364 WeakPolarHBondContact O-CB 3.13Å; W360-K364 PolarHBondContact O-N 3.32Å
361	K	94.8	Very high	94.9	Very high	83 Å²	83	69.6 Å²	69.6	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-68.7	-49.1	-179.1	-178.2	179.9	169.3	-179.7	0	110	L358 L359 W363 K364 E365	L358-K361 WeakPolarHBondContact O-CB 3.38Å; L358-K361 PolarHBondContact O-N 2.59Å; L359-K361 PolarHBondContact O-N 3.46Å; L359-K361 VanDerWaalsContact O-N 3.07Å; K361-W363 PolarHBondContact O-N 3.29Å; K361-K364 PolarHBondContact O-N 3.22Å; K361-E365 WeakPolarHBondContact CE-OE1 3.28Å; K361-E365 HydrophobicContact CG-CG 4.39Å; K361-E365 IonicContact NZ-OE1 3.77Å; K361-E365 WeakPolarHBondContact O-CB 3.27Å; K361-E365 VanDerWaalsContact O-CG 3.3Å; K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 3.28Å
362	S	96.9	Very high	94.9	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.035	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-40.5	179.2	-66.9	0	0	0	0	112.9	H46 L359 E365 M366	H46-S362 PolarHBondContact CE1-OG 3.44Å; H46-S362 PolarHBondContact ND1-OG 2.87Å; L359-S362 PolarHBondContact O-N 3.07Å; L359-S362 VanDerWaalsContact O-N 3.07Å; S362-E365 PolarHBondContact O-N 3.33Å; S362-M366 VanDerWaalsContact O-CB 3.3Å; S362-M366 WeakPolarHBondContact O-CB 3.37Å; S362-M366 VanDerWaalsContact O-CG 3.25Å; S362-M366 WeakPolarHBondContact O-CG 3.35Å; S362-M366 PolarHBondContact O-N 3.39Å
363	W	97.6	Very high	95	Very high	20 Å²	20	67.9 Å²	67.9	8%	0.076	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-45.8	174.5	-77.2	99.8	0	0	0	112.1	Q62 I65 L359 K361 M366 G367 Q368 K369 A370 P371	Q62-W363 PolarHBondContact O-NE1 3.27Å; I65-W363 HydrophobicContact CD1-CB 4.45Å; I65-W363 HydrophobicContact CD1-CD2 3.74Å; I65-W363 HydrophobicContact CD1-CE3 4.22Å; I65-W363 HydrophobicContact CD1-CG 3.85Å; I65-W363 HydrophobicContact CD1-CZ2 4.49Å; I65-W363 HydrophobicContact CG1-CD2 3.89Å; I65-W363 HydrophobicContact CG1-CE3 4.14Å; I65-W363 HydrophobicContact CG1-CG 4.49Å; I65-W363 HydrophobicContact CG1-CH2 4.05Å; I65-W363 HydrophobicContact CG1-CZ2 3.78Å; I65-W363 HydrophobicContact CG1-CZ3 4.23Å; I65-W363 HydrophobicContact CG2-CE3 4.08Å; I65-W363 HydrophobicContact CG2-CH2 4.43Å; I65-W363 HydrophobicContact CG2-CZ3 3.98Å; L359-W363 VanDerWaalsContact O-CD1 3.25Å; L359-W363 PolarHBondContact O-N 2.66Å; K361-W363 PolarHBondContact O-N 3.29Å; W363-M366 PolarHBondContact O-N 2.88Å; W363-G367 PolarHBondContact O-N 3.37Å; W363-G367 VanDerWaalsContact O-N 3.14Å; W363-Q368 CarbonylContact C-O 3.43Å; W363-Q368 HydrophobicContact CE3-CB 3.62Å; W363-Q368 HydrophobicContact CZ3-CB 3.78Å; W363-Q368 PolarHBondContact O-N 3.13Å; W363-K369 VanDerWaalsContact CE3-O 3.27Å; W363-K369 WeakPolarHBondContact CZ3-O 3.33Å; W363-A370 HydrophobicContact CD2-CB 3.9Å; W363-A370 HydrophobicContact CG-CB 3.88Å; W363-P371 VanDerWaalsContact CZ2-CD 3.46Å; W363-P371 HydrophobicContact CZ2-CG 4.47Å
364	K	95.9	Very high	95	Very high	160 Å²	160	70.6 Å²	70.6	70%	0.696	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-47.9	176.1	-178.1	-178.9	178.7	-178.2	0	112.1	W360 K361 M366 G367	W360-K364 HydrophobicContact CZ3-CD 4.49Å; W360-K364 VanDerWaalsContact O-CB 3.28Å; W360-K364 WeakPolarHBondContact O-CB 3.13Å; W360-K364 PolarHBondContact O-N 3.32Å; K361-K364 PolarHBondContact O-N 3.22Å; K364-M366 VanDerWaalsContact C-N 3.32Å; K364-M366 PolarHBondContact O-N 2.85Å; K364-G367 PolarHBondContact O-N 3.01Å
365	E	94.1	Very high	95	Very high	84 Å²	84	74.7 Å²	74.7	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-42.2	178.8	-78.8	174.4	170.8	0	0	111.3	Q26 K361 S362 G367	Q26-E365 PolarHBondContact NE2-O 3.25Å; K361-E365 WeakPolarHBondContact CE-OE1 3.28Å; K361-E365 HydrophobicContact CG-CG 4.39Å; K361-E365 IonicContact NZ-OE1 3.77Å; K361-E365 WeakPolarHBondContact O-CB 3.27Å; K361-E365 VanDerWaalsContact O-CG 3.3Å; K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 3.28Å; S362-E365 PolarHBondContact O-N 3.33Å; E365-G367 PolarHBondContact O-N 3.19Å
366	M	96.4	Very high	95.1	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.02	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.1	176.2	-70.3	-67.1	-80	0	0	113.8	T22 F44 I65 Y67 T70 F71 S362 W363 K364 Q368	T22-M366 HydrophobicContact CG2-CG 4.33Å; T22-M366 HydrophobicContact CG2-SD 3.38Å; T22-M366 WeakPolarHBondContact CG2-SD 3.42Å; F44-M366 HydrophobicContact CB-CE 4.2Å; I65-M366 HydrophobicContact CB-CE 4.46Å; I65-M366 HydrophobicContact CB-CG 4.36Å; I65-M366 HydrophobicContact CD1-CB 4.45Å; I65-M366 HydrophobicContact CD1-CG 4.15Å; I65-M366 HydrophobicContact CG2-CB 3.65Å; I65-M366 HydrophobicContact CG2-CE 4.05Å; I65-M366 HydrophobicContact CG2-CG 3.86Å; Y67-M366 HydrophobicContact CD1-CE 3.97Å; Y67-M366 HydrophobicContact CE1-CE 4.49Å; T70-M366 HydrophobicContact CG2-CE 4.1Å; T70-M366 WeakPolarHBondContact CG2-O 3.37Å; T70-M366 HydrophobicContact CG2-SD 3.92Å; T70-M366 WeakPolarHBondContact OG1-CE 3.46Å; T70-M366 PolarHBondContact OG1-O 2.83Å; F71-M366 HydrophobicContact CE2-CE 3.91Å; F71-M366 HydrophobicContact CE2-SD 4.02Å; F71-M366 HydrophobicContact CZ-SD 4.08Å; S362-M366 VanDerWaalsContact O-CB 3.3Å; S362-M366 WeakPolarHBondContact O-CB 3.37Å; S362-M366 VanDerWaalsContact O-CG 3.25Å; S362-M366 WeakPolarHBondContact O-CG 3.35Å; S362-M366 PolarHBondContact O-N 3.39Å; W363-M366 PolarHBondContact O-N 2.88Å; K364-M366 VanDerWaalsContact C-N 3.32Å; K364-M366 PolarHBondContact O-N 2.85Å; M366-Q368 VanDerWaalsContact C-N 3.26Å; M366-Q368 PolarHBondContact O-N 2.88Å
367	G	96.3	Very high	95.3	Very high	70 Å²	70	70.9 Å²	70.9	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	27.1	-179.5	0	0	0	0	0	113.6	W363 K364 E365	W363-G367 PolarHBondContact O-N 3.37Å; W363-G367 VanDerWaalsContact O-N 3.14Å; K364-G367 PolarHBondContact O-N 3.01Å; E365-G367 PolarHBondContact O-N 3.19Å
368	Q	97.1	Very high	95.2	Very high	29 Å²	29	75.7 Å²	75.7	14%	0.136	40%	0.396	C	S	.	.			trans	-121	157.7	-178	-64.7	-174.1	52.9	0	0	110.6	I65 P66 K69 T70 W363 M366	I65-Q368 HydrophobicContact CG2-CB 4.25Å; I65-Q368 HydrophobicContact CG2-CG 4.3Å; P66-Q368 PolarHBondContact O-NE2 3Å; K69-Q368 HydrophobicContact CB-CG 4.42Å; K69-Q368 VanDerWaalsContact CD-OE1 3.25Å; T70-Q368 PolarHBondContact OG1-NE2 3Å; W363-Q368 CarbonylContact C-O 3.43Å; W363-Q368 HydrophobicContact CE3-CB 3.62Å; W363-Q368 HydrophobicContact CZ3-CB 3.78Å; W363-Q368 PolarHBondContact O-N 3.13Å; M366-Q368 VanDerWaalsContact C-N 3.26Å; M366-Q368 PolarHBondContact O-N 2.88Å
369	K	94.8	Very high	95.1	Very high	199 Å²	199	76.8 Å²	76.8	87%	0.865	40%	0.401	S	S	*	.			trans	-93.8	134.6	173	-67.4	-176	179.8	-179.6	0	109.4	W363	W363-K369 VanDerWaalsContact CE3-O 3.27Å; W363-K369 WeakPolarHBondContact CZ3-O 3.33Å
370	A	91.2	Very high	95	Very high	54 Å²	54	82.4 Å²	82.4	45%	0.446	43%	0.431	S	S	.	.			trans	-59.4	147.6	171.3	0	0	0	0	0	110.6	W363	W363-A370 HydrophobicContact CD2-CB 3.9Å; W363-A370 HydrophobicContact CG-CB 3.88Å
371	P	90.3	Very high	95	Very high	131 Å²	131	76.3 Å²	76.3	85%	0.851	42%	0.418	S	S	*	.			trans	-64.5	0	179.6	27.7	-35.1	0	0	0	113.6	Q61 Q62 W363	Q61-P371 HydrophobicContact CB-CG 4.23Å; Q62-P371 HydrophobicContact CB-CG 4.11Å; W363-P371 VanDerWaalsContact CZ2-CD 3.46Å; W363-P371 HydrophobicContact CZ2-CG 4.47Å

Retrieved 371 of 371 residues in 1048.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).