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4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)

Involved in the biosynthesis of the yellow-orange carotenoid staphyloxanthin, which plays a role in the virulence via its protective function against oxidative stress. Catalyzes three successive dehydrogenation reactions that lead to the introduction of three double bonds into 4,4'-diapophytoene (dehydrosqualene), with 4,4'-diapophytofluene and 4,4'-diapo-zeta-carotene as intermediates, and 4,4'-diaponeurosporene (the major deep-yellow pigment in staphylococci strains) as the end product.

AlphaFold DB (Q2FV60), UniProt , Accession Q99R76, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene crtN, Length 502 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	93.5	Very high	97.5	Very high	94 Å²	94	22.9 Å²	22.9	46%	0.463	13%	0.125	S	C	.	.				0	147.2	0	-71.2	-177.1	179.2	0	0	108.3	I3 E25 D270 I498	M1-I3 HydrophobicContact CB-CG1 4.35Å; M1-E25 PolarHBondContact O-N 2.75Å; M1-D270 VanDerWaalsContact C-OD2 3.32Å; M1-D270 WeakPolarHBondContact CA-OD2 3.48Å; M1-D270 HydrophobicContact CB-CB 4.03Å; M1-D270 VanDerWaalsContact CB-OD2 3.29Å; M1-D270 WeakPolarHBondContact CB-OD2 3.42Å; M1-D270 HydrophobicContact CG-CB 4.25Å; M1-D270 HydrophobicContact SD-CB 4.48Å; M1-I498 HydrophobicContact CE-CB 4.47Å; M1-I498 HydrophobicContact CE-CG1 4.41Å; M1-I498 HydrophobicContact CE-CG2 3.84Å; M1-I498 HydrophobicContact SD-CB 4.28Å; M1-I498 HydrophobicContact SD-CD1 3.95Å; M1-I498 HydrophobicContact SD-CG1 3.67Å; M1-I498 HydrophobicContact SD-CG2 3.83Å
2	K	97.8	Very high	97.6	Very high	100 Å²	100	21 Å²	21	44%	0.435	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.2	171	-62	-166.8	176.1	-152.6	0	109	E25 F269 D270	K2-E25 CarbonylContact C-O 3.56Å; K2-E25 WeakPolarHBondContact CA-O 3.26Å; K2-E25 WeakPolarHBondContact CE-OE1 3.33Å; K2-E25 VanDerWaalsContact CE-OE2 3.3Å; K2-E25 WeakPolarHBondContact CE-OE2 3.35Å; K2-E25 HydrophobicContact CG-CB 4.48Å; K2-E25 IonicContact NZ-OE1 2.73Å; K2-E25 PolarHBondContact NZ-OE1 3.38Å; K2-E25 IonicContact NZ-OE2 3.66Å; K2-F269 HydrophobicContact CB-CD1 4.03Å; K2-D270 PolarHBondContact N-OD2 3.08Å; K2-D270 WeakPolarHBondContact O-CB 3.49Å; K2-D270 PolarHBondContact O-N 3.29Å
3	I	98.6	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.7	-175	-60.5	173	0	0	0	109.1	M1 I19 H24 E25 V26 T27 K271 M494 I498	M1-I3 HydrophobicContact CB-CG1 4.35Å; I3-I19 HydrophobicContact CB-CG2 4.38Å; I3-I19 HydrophobicContact CD1-CG2 3.4Å; I3-I19 VanDerWaalsContact CD1-CG2 3.4Å; I3-I19 HydrophobicContact CG1-CG2 4.43Å; I3-I19 HydrophobicContact CG2-CD1 4.26Å; I3-I19 HydrophobicContact CG2-CG2 4.45Å; I3-H24 HydrophobicContact CD1-CB 3.9Å; I3-E25 PolarHBondContact N-O 3.05Å; I3-V26 WeakPolarHBondContact O-CA 3.26Å; I3-T27 PolarHBondContact O-N 3.48Å; I3-K271 WeakPolarHBondContact CA-O 3.49Å; I3-K271 HydrophobicContact CG1-CB 4.34Å; I3-M494 HydrophobicContact CD1-SD 4.18Å; I3-M494 HydrophobicContact CG2-SD 4.18Å; I3-I498 HydrophobicContact CD1-CD1 4.06Å
4	A	98.7	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133	171.7	0	0	0	0	0	110.1	T27 F29 I260 F269 K271 I272 L273	A4-T27 WeakPolarHBondContact CA-O 3.32Å; A4-F29 HydrophobicContact CB-CD2 4.37Å; A4-F29 HydrophobicContact CB-CE2 4.04Å; A4-I260 HydrophobicContact CB-CD1 4.34Å; A4-F269 HydrophobicContact CB-CB 4.17Å; A4-F269 HydrophobicContact CB-CD1 3.74Å; A4-F269 HydrophobicContact CB-CD2 3.66Å; A4-F269 HydrophobicContact CB-CE1 4Å; A4-F269 HydrophobicContact CB-CE2 3.92Å; A4-F269 HydrophobicContact CB-CG 3.57Å; A4-F269 HydrophobicContact CB-CZ 4.1Å; A4-K271 PolarHBondContact N-O 3.29Å; A4-I272 HydrophobicContact CB-CG1 4.4Å; A4-I272 WeakPolarHBondContact O-CA 3Å; A4-L273 PolarHBondContact O-N 3.09Å
5	V	98.8	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	168.2	179.9	0	0	0	0	108.2	A16 I19 V26 T27 I28 F29 L273 T275	V5-A16 HydrophobicContact CG2-CB 4.09Å; V5-I19 HydrophobicContact CG2-CD1 4.44Å; V5-V26 HydrophobicContact CG2-CG1 3.77Å; V5-T27 PolarHBondContact N-O 3.12Å; V5-I28 HydrophobicContact CB-CG1 4.2Å; V5-I28 HydrophobicContact CG1-CG2 4.47Å; V5-I28 CarbonylContact O-C 3.55Å; V5-I28 VanDerWaalsContact O-CA 3.3Å; V5-I28 WeakPolarHBondContact O-CA 3.5Å; V5-F29 PolarHBondContact O-N 2.83Å; V5-L273 CarbonylContact C-O 3.37Å; V5-L273 VanDerWaalsContact CA-O 3.31Å; V5-L273 WeakPolarHBondContact CA-O 3.28Å; V5-L273 HydrophobicContact CG2-CB 4.32Å; V5-L273 HydrophobicContact CG2-CD2 4.39Å; V5-T275 HydrophobicContact CG1-CG2 4.32Å
6	I	98.2	Very high	97.9	Very high	7 Å²	7	15.8 Å²	15.8	4%	0.036	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.2	179.8	-54.6	171.6	0	0	0	108.6	I245 I248 I260 I272 L273 C274 T275 A276	I6-I245 HydrophobicContact CB-CG1 4.28Å; I6-I245 HydrophobicContact CD1-CG1 4.2Å; I6-I245 HydrophobicContact CD1-CG2 4.2Å; I6-I245 HydrophobicContact CG1-CG1 3.97Å; I6-I245 HydrophobicContact CG2-CB 4.16Å; I6-I245 HydrophobicContact CG2-CG1 3.52Å; I6-I248 HydrophobicContact CD1-CD1 3.99Å; I6-I248 HydrophobicContact CD1-CG1 3.9Å; I6-I260 HydrophobicContact CD1-CG2 4.02Å; I6-I272 HydrophobicContact CD1-CG2 3.66Å; I6-I272 HydrophobicContact CG1-CG2 4.2Å; I6-L273 PolarHBondContact N-O 3.14Å; I6-C274 HydrophobicContact CB-CB 4.44Å; I6-C274 HydrophobicContact CD1-CB 4.34Å; I6-T275 WeakPolarHBondContact O-CA 3.33Å; I6-T275 PolarHBondContact O-N 2.97Å; I6-T275 PolarHBondContact O-OG1 2.84Å; I6-A276 PolarHBondContact O-N 2.93Å
7	G	97.4	Very high	97.9	Very high	13 Å²	13	14.8 Å²	14.8	13%	0.134	8%	0.081	C	C	.	.			trans	95.9	129.4	-176.2	0	0	0	0	0	112.9	F29 T275	G7-F29 WeakPolarHBondContact CA-O 3.37Å; G7-F29 PolarHBondContact N-O 2.83Å; G7-T275 PolarHBondContact O-OG1 2.82Å
8	A	97.7	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-101	31	173.8	0	0	0	0	0	112.4	L13 I28 E30 V35 G36	A8-L13 HydrophobicContact CB-CD2 4.27Å; A8-L13 WeakPolarHBondContact O-CD1 3.36Å; A8-L13 WeakPolarHBondContact O-CG 3.21Å; A8-I28 HydrophobicContact CB-CG2 3.75Å; A8-E30 WeakPolarHBondContact CA-OE2 3.39Å; A8-E30 HydrophobicContact CB-CB 3.65Å; A8-E30 HydrophobicContact CB-CG 3.87Å; A8-E30 PolarHBondContact N-OE2 2.99Å; A8-V35 HydrophobicContact CB-CB 4.01Å; A8-V35 HydrophobicContact CB-CG1 3.83Å; A8-G36 WeakPolarHBondContact O-CA 3.31Å; A8-G36 PolarHBondContact O-N 3.49Å
9	G	96.5	Very high	98	Very high	17 Å²	17	14.2 Å²	14.2	18%	0.175	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-64	168.1	163.1	0	0	0	0	0	111.5	T11 G12 L13	G9-T11 PolarHBondContact O-N 3.21Å; G9-G12 PolarHBondContact O-N 2.88Å; G9-L13 PolarHBondContact O-N 2.9Å
10	V	97.3	Very high	98	Very high	12 Å²	12	14 Å²	14	7%	0.073	8%	0.076	C	C	.	.	H	α-helix	trans	-53	-33.6	179.7	-71.3	0	0	0	0	114.3	A14 M39 L228 V483 L484	V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.15Å; V10-M39 HydrophobicContact CG1-CB 4.05Å; V10-M39 HydrophobicContact CG1-CE 3.71Å; V10-M39 HydrophobicContact CG1-CG 4.28Å; V10-M39 HydrophobicContact CG1-SD 3.22Å; V10-M39 WeakPolarHBondContact CG1-SD 3.08Å; V10-L228 HydrophobicContact CB-CD1 4.18Å; V10-L228 HydrophobicContact CG1-CD1 4.2Å; V10-V483 HydrophobicContact CG2-CG2 3.88Å; V10-L484 HydrophobicContact CB-CD2 4.29Å
11	T	98.1	Very high	98	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.055	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-49.1	173.4	-57.7	0	0	0	0	112	G9 A14 A15 T275 A470 V483 A487	G9-T11 PolarHBondContact O-N 3.21Å; T11-A14 PolarHBondContact O-N 2.92Å; T11-A15 WeakPolarHBondContact O-CB 3.11Å; T11-A15 PolarHBondContact O-N 2.65Å; T11-T275 HydrophobicContact CG2-CG2 3.91Å; T11-A470 HydrophobicContact CG2-CB 3.43Å; T11-A470 VanDerWaalsContact CG2-CB 3.43Å; T11-V483 VanDerWaalsContact OG1-CB 3.29Å; T11-V483 WeakPolarHBondContact OG1-CB 3.5Å; T11-V483 PolarHBondContact OG1-O 2.87Å; T11-A487 HydrophobicContact CG2-CB 3.98Å; T11-A487 WeakPolarHBondContact O-CB 3.31Å
12	G	98.5	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-45.4	179.4	0	0	0	0	0	111.8	G9 A15 A16	G9-G12 PolarHBondContact O-N 2.88Å; G12-A15 PolarHBondContact O-N 2.9Å; G12-A16 WeakPolarHBondContact O-CB 3.31Å; G12-A16 PolarHBondContact O-N 3.41Å
13	L	98.7	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-46.2	176	-65.4	170	0	0	0	111.9	A8 G9 A17 I28 V35 L228 N232 I239	A8-L13 HydrophobicContact CB-CD2 4.27Å; A8-L13 WeakPolarHBondContact O-CD1 3.36Å; A8-L13 WeakPolarHBondContact O-CG 3.21Å; G9-L13 PolarHBondContact O-N 2.9Å; L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.15Å; L13-A17 VanDerWaalsContact O-N 3.08Å; L13-I28 HydrophobicContact CD2-CD1 3.94Å; L13-V35 HydrophobicContact CD1-CB 4.26Å; L13-V35 HydrophobicContact CD1-CG2 4.45Å; L13-V35 HydrophobicContact CD2-CB 4.44Å; L13-V35 HydrophobicContact CD2-CG1 4.41Å; L13-L228 HydrophobicContact CB-CB 3.81Å; L13-L228 HydrophobicContact CB-CD1 4.01Å; L13-L228 HydrophobicContact CD1-CB 4.09Å; L13-N232 PolarHBondContact O-ND2 3.01Å; L13-I239 HydrophobicContact CD2-CD1 4.23Å
14	A	98.8	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-39.4	178.2	0	0	0	0	0	112.2	V10 T11 R18 V65 L228 L484 A487	V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.15Å; T11-A14 PolarHBondContact O-N 2.92Å; A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.44Å; A14-V65 HydrophobicContact CB-CG1 3.72Å; A14-V65 HydrophobicContact CB-CG2 4.09Å; A14-L228 HydrophobicContact CB-CD1 4.39Å; A14-L484 HydrophobicContact CB-CD2 3.68Å; A14-A487 HydrophobicContact CB-CB 4.06Å
15	A	98.7	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.2	-46.3	178	0	0	0	0	0	111.8	T11 G12 A17 R18 I19 L273 A487 V491	T11-A15 WeakPolarHBondContact O-CB 3.11Å; T11-A15 PolarHBondContact O-N 2.65Å; G12-A15 PolarHBondContact O-N 2.9Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.01Å; A15-R18 PolarHBondContact O-N 2.81Å; A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 WeakPolarHBondContact O-CD1 3.34Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.38Å; A15-L273 HydrophobicContact CB-CD2 3.35Å; A15-A487 HydrophobicContact CB-CB 3.99Å; A15-V491 HydrophobicContact CB-CG2 3.72Å
16	A	98.8	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-44.2	178.3	0	0	0	0	0	112	V5 G12 R18 I19 A20 V26 I28 N232 V237	V5-A16 HydrophobicContact CG2-CB 4.09Å; G12-A16 WeakPolarHBondContact O-CB 3.31Å; G12-A16 PolarHBondContact O-N 3.41Å; A16-R18 PolarHBondContact O-N 3Å; A16-I19 PolarHBondContact O-N 3.27Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.8Å; A16-V26 HydrophobicContact CB-CG1 3.79Å; A16-I28 HydrophobicContact CB-CD1 3.4Å; A16-I28 HydrophobicContact CB-CG1 3.66Å; A16-N232 WeakPolarHBondContact CB-OD1 3.39Å; A16-V237 HydrophobicContact CB-CG1 4.3Å
17	A	98.8	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-48.3	175.4	0	0	0	0	0	111.6	L13 A15 I19 A20 S21 L231 N232 L235	L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.15Å; L13-A17 VanDerWaalsContact O-N 3.08Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.01Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.14Å; A17-A20 PolarHBondContact O-N 3.11Å; A17-S21 WeakPolarHBondContact O-CB 3.44Å; A17-S21 PolarHBondContact O-N 2.73Å; A17-L231 HydrophobicContact CB-CD2 3.67Å; A17-L231 HydrophobicContact CB-CG 3.95Å; A17-N232 PolarHBondContact N-OD1 3.4Å; A17-N232 VanDerWaalsContact N-OD1 3.13Å; A17-L235 HydrophobicContact CB-CD1 3.9Å; A17-L235 WeakPolarHBondContact O-CD1 3.19Å
18	R	98.6	Very high	98.2	Very high	17 Å²	17	21 Å²	21	6%	0.064	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-36.4	177.8	-71.2	173.1	-179.4	-84.7	-0.8	112.9	A14 A15 A16 S21 Q22 D64 V491	A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.44Å; A15-R18 PolarHBondContact O-N 2.81Å; A16-R18 PolarHBondContact O-N 3Å; R18-S21 PolarHBondContact O-OG 3.34Å; R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-D64 IonicContact CZ-OD2 2.77Å; R18-D64 IonicContact NH1-OD2 3.1Å; R18-D64 PolarHBondContact NH2-O 3.2Å; R18-D64 IonicContact NH2-OD2 3.8Å; R18-D64 PolarHBondContact NH2-OD2 3.34Å; R18-V491 HydrophobicContact CB-CB 4.42Å; R18-V491 HydrophobicContact CB-CG1 3.92Å; R18-V491 HydrophobicContact CB-CG2 4.33Å
19	I	98.5	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-46.1	177.5	-68.5	162.5	0	0	0	110.2	I3 V5 A15 A16 A17 S21 Q22 H24 V26 L273 V491 M494	I3-I19 HydrophobicContact CB-CG2 4.38Å; I3-I19 HydrophobicContact CD1-CG2 3.4Å; I3-I19 VanDerWaalsContact CD1-CG2 3.4Å; I3-I19 HydrophobicContact CG1-CG2 4.43Å; I3-I19 HydrophobicContact CG2-CD1 4.26Å; I3-I19 HydrophobicContact CG2-CG2 4.45Å; V5-I19 HydrophobicContact CG2-CD1 4.44Å; A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 WeakPolarHBondContact O-CD1 3.34Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.38Å; A16-I19 PolarHBondContact O-N 3.27Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.14Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.46Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 2.98Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; I19-H24 HydrophobicContact CG2-CB 3.83Å; I19-V26 HydrophobicContact CB-CG2 3.95Å; I19-V26 HydrophobicContact CG2-CG2 3.42Å; I19-V26 VanDerWaalsContact CG2-CG2 3.42Å; I19-L273 HydrophobicContact CD1-CD2 4.1Å; I19-V491 HydrophobicContact CD1-CG2 3.95Å; I19-V491 HydrophobicContact CG1-CB 4.38Å; I19-V491 HydrophobicContact CG1-CG1 3.76Å; I19-V491 HydrophobicContact CG1-CG2 3.73Å; I19-M494 HydrophobicContact CD1-CE 4.44Å; I19-M494 HydrophobicContact CD1-SD 3.96Å; I19-M494 HydrophobicContact CG1-SD 4.43Å
20	A	98.6	Very high	98.3	Very high	11 Å²	11	20.7 Å²	20.7	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-36.6	-179.9	0	0	0	0	0	112.1	A16 A17 Q22 G23 V26 L235 V237	A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.8Å; A17-A20 PolarHBondContact O-N 3.11Å; A20-Q22 PolarHBondContact O-N 3.45Å; A20-Q22 VanDerWaalsContact O-N 3.15Å; A20-G23 PolarHBondContact O-N 3.3Å; A20-V26 HydrophobicContact CB-CG2 4.06Å; A20-L235 HydrophobicContact CB-CB 4.01Å; A20-V237 HydrophobicContact CB-CG2 3.39Å
21	S	98.1	Very high	98.1	Very high	37 Å²	37	22.9 Å²	22.9	26%	0.259	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.5	175.3	77.9	0	0	0	0	113.6	A17 R18 I19 G23	A17-S21 WeakPolarHBondContact O-CB 3.44Å; A17-S21 PolarHBondContact O-N 2.73Å; R18-S21 PolarHBondContact O-OG 3.34Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.46Å; S21-G23 VanDerWaalsContact C-N 3.33Å
22	Q	97.3	Very high	97.9	Very high	112 Å²	112	24.1 Å²	24.1	52%	0.523	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	8.9	170.9	-57.5	-59.5	-41.9	0	0	113.1	R18 I19 A20 I495	R18-Q22 WeakPolarHBondContact O-CG 3.47Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 2.98Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; A20-Q22 PolarHBondContact O-N 3.45Å; A20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-I495 HydrophobicContact CB-CD1 4Å; Q22-I495 HydrophobicContact CG-CD1 3.95Å; Q22-I495 HydrophobicContact CG-CG1 4.25Å
23	G	97.3	Very high	97.6	Very high	68 Å²	68	29.6 Å²	29.6	70%	0.701	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	25.2	175.3	0	0	0	0	0	114.7	A20 S21	A20-G23 PolarHBondContact O-N 3.3Å; S21-G23 VanDerWaalsContact C-N 3.33Å
24	H	98.1	Very high	97.4	Very high	37 Å²	37	31.3 Å²	31.3	17%	0.171	18%	0.176	C	C	.	.			trans	-100.7	149.8	175.7	-60.4	-38.9	0	0	0	112.2	I3 I19 I498	I3-H24 HydrophobicContact CD1-CB 3.9Å; I19-H24 HydrophobicContact CG2-CB 3.83Å; H24-I498 WeakPolarHBondContact NE2-CD1 3.38Å
25	E	98.5	Very high	97.4	Very high	104 Å²	104	32.1 Å²	32.1	49%	0.486	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.5	174.8	-178	-174.2	153.2	0	0	108.2	M1 K2 I3	M1-E25 PolarHBondContact O-N 2.75Å; K2-E25 CarbonylContact C-O 3.56Å; K2-E25 WeakPolarHBondContact CA-O 3.26Å; K2-E25 WeakPolarHBondContact CE-OE1 3.33Å; K2-E25 VanDerWaalsContact CE-OE2 3.3Å; K2-E25 WeakPolarHBondContact CE-OE2 3.35Å; K2-E25 HydrophobicContact CG-CB 4.48Å; K2-E25 IonicContact NZ-OE1 2.73Å; K2-E25 PolarHBondContact NZ-OE1 3.38Å; K2-E25 IonicContact NZ-OE2 3.66Å; I3-E25 PolarHBondContact N-O 3.05Å
26	V	98.8	Very high	97.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.3	-175.4	-172.7	0	0	0	0	110.5	I3 V5 A16 I19 A20 V237 N238	I3-V26 WeakPolarHBondContact O-CA 3.26Å; V5-V26 HydrophobicContact CG2-CG1 3.77Å; A16-V26 HydrophobicContact CB-CG1 3.79Å; I19-V26 HydrophobicContact CB-CG2 3.95Å; I19-V26 HydrophobicContact CG2-CG2 3.42Å; I19-V26 VanDerWaalsContact CG2-CG2 3.42Å; A20-V26 HydrophobicContact CB-CG2 4.06Å; V26-V237 HydrophobicContact CB-CG1 4.09Å; V26-V237 HydrophobicContact CB-CG2 4.16Å; V26-V237 HydrophobicContact CG1-CG1 4.09Å; V26-N238 PolarHBondContact O-N 3.02Å; V26-N238 VanDerWaalsContact O-N 3.1Å
27	T	98.7	Very high	96.9	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.08	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125	166.9	-56.3	0	0	0	0	109.8	I3 A4 V5 F29 N238 E240	I3-T27 PolarHBondContact O-N 3.48Å; A4-T27 WeakPolarHBondContact CA-O 3.32Å; V5-T27 PolarHBondContact N-O 3.12Å; T27-F29 HydrophobicContact CG2-CD2 4.27Å; T27-F29 HydrophobicContact CG2-CE1 3.95Å; T27-F29 HydrophobicContact CG2-CE2 3.59Å; T27-F29 HydrophobicContact CG2-CZ 3.41Å; T27-F29 VanDerWaalsContact CG2-CZ 3.41Å; T27-N238 CarbonylContact C-O 3.59Å; T27-N238 VanDerWaalsContact CA-O 3.3Å; T27-N238 WeakPolarHBondContact CA-O 3.41Å; T27-N238 HydrophobicContact CG2-CB 4.2Å; T27-E240 HydrophobicContact CG2-CG 4.21Å
28	I	98.8	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.1	172.8	-50.1	-179.1	0	0	0	108.7	V5 A8 L13 A16 V237 N238 I239 E240	V5-I28 HydrophobicContact CB-CG1 4.2Å; V5-I28 HydrophobicContact CG1-CG2 4.47Å; V5-I28 CarbonylContact O-C 3.55Å; V5-I28 VanDerWaalsContact O-CA 3.3Å; V5-I28 WeakPolarHBondContact O-CA 3.5Å; A8-I28 HydrophobicContact CB-CG2 3.75Å; L13-I28 HydrophobicContact CD2-CD1 3.94Å; A16-I28 HydrophobicContact CB-CD1 3.4Å; A16-I28 HydrophobicContact CB-CG1 3.66Å; I28-V237 HydrophobicContact CD1-CG1 3.93Å; I28-V237 HydrophobicContact CG1-CG1 3.75Å; I28-N238 PolarHBondContact N-O 3.34Å; I28-I239 HydrophobicContact CB-CG1 4.39Å; I28-I239 HydrophobicContact CB-CG2 4.41Å; I28-I239 HydrophobicContact CD1-CD1 4.29Å; I28-I239 HydrophobicContact CD1-CG1 4.07Å; I28-I239 HydrophobicContact CG1-CG1 4.43Å; I28-E240 PolarHBondContact O-N 3.34Å
29	F	98.4	Very high	96.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.8	174.8	-62.9	-84.6	0	0	0	110	A4 V5 G7 T27 E240 A243 I245 I260 V262 F269	A4-F29 HydrophobicContact CB-CD2 4.37Å; A4-F29 HydrophobicContact CB-CE2 4.04Å; V5-F29 PolarHBondContact O-N 2.83Å; G7-F29 WeakPolarHBondContact CA-O 3.37Å; G7-F29 PolarHBondContact N-O 2.83Å; T27-F29 HydrophobicContact CG2-CD2 4.27Å; T27-F29 HydrophobicContact CG2-CE1 3.95Å; T27-F29 HydrophobicContact CG2-CE2 3.59Å; T27-F29 HydrophobicContact CG2-CZ 3.41Å; T27-F29 VanDerWaalsContact CG2-CZ 3.41Å; F29-E240 HydrophobicContact CD1-CB 4.12Å; F29-E240 HydrophobicContact CE1-CB 4.36Å; F29-A243 HydrophobicContact CB-CB 4.35Å; F29-A243 HydrophobicContact CD1-CB 3.93Å; F29-I245 HydrophobicContact CB-CD1 3.73Å; F29-I245 HydrophobicContact CB-CG1 4.26Å; F29-I245 HydrophobicContact CD1-CD1 4.36Å; F29-I245 HydrophobicContact CD2-CD1 4.45Å; F29-I245 HydrophobicContact CG-CD1 3.93Å; F29-I260 HydrophobicContact CD1-CD1 4.28Å; F29-I260 HydrophobicContact CD2-CD1 3.52Å; F29-I260 HydrophobicContact CE1-CD1 4.06Å; F29-I260 HydrophobicContact CE2-CD1 3.26Å; F29-I260 HydrophobicContact CG-CD1 4.03Å; F29-I260 HydrophobicContact CZ-CD1 3.56Å; F29-V262 HydrophobicContact CD1-CG1 4.43Å; F29-V262 HydrophobicContact CD1-CG2 4.09Å; F29-V262 HydrophobicContact CE1-CG1 4.16Å; F29-F269 HydrophobicContact CE2-CE1 4.45Å; F29-F269 AromaticContact CE2-CE2 3.96Å; F29-F269 HydrophobicContact CE2-CE2 3.96Å; F29-F269 AromaticContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CZ-CE2 4.04Å; F29-F269 AromaticContact CZ-CZ 3.67Å; F29-F269 HydrophobicContact CZ-CZ 3.67Å
30	E	97	Very high	96.1	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.4	-178.9	174.1	50.4	-120.1	0	0	110.3	A8 N32 N34 E240 L241 N242 A243	A8-E30 WeakPolarHBondContact CA-OE2 3.39Å; A8-E30 HydrophobicContact CB-CB 3.65Å; A8-E30 HydrophobicContact CB-CG 3.87Å; A8-E30 PolarHBondContact N-OE2 2.99Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 HydrophobicContact CG-CB 4.32Å; E30-N32 PolarHBondContact O-N 3.01Å; E30-N32 WeakPolarHBondContact OE1-CB 3.27Å; E30-N32 VanDerWaalsContact OE1-CG 3.32Å; E30-N32 PolarHBondContact OE1-N 3.4Å; E30-N32 PolarHBondContact OE1-ND2 3.32Å; E30-N34 WeakPolarHBondContact CG-O 3.1Å; E30-E240 PolarHBondContact N-O 2.92Å; E30-L241 HydrophobicContact CB-CD2 3.93Å; E30-L241 HydrophobicContact CG-CD2 3.96Å; E30-L241 CarbonylContact O-C 3.54Å; E30-L241 WeakPolarHBondContact O-CA 3.4Å; E30-N242 PolarHBondContact O-N 3.49Å; E30-A243 PolarHBondContact O-N 3.25Å
31	K	93.8	Very high	96	Very high	59 Å²	59	36.4 Å²	36.4	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-67.5	-31	-178.6	73.7	179.7	-171.9	75.8	0	112.3	N242 E244 T434 H436	K31-N242 WeakPolarHBondContact O-CA 3.03Å; K31-E244 HydrophobicContact CB-CB 3.88Å; K31-E244 HydrophobicContact CB-CG 4.03Å; K31-T434 WeakPolarHBondContact CE-O 3.36Å; K31-T434 PolarHBondContact NZ-O 3.13Å; K31-H436 VanDerWaalsContact CD-NE2 3.32Å; K31-H436 WeakPolarHBondContact CD-NE2 3.33Å; K31-H436 VanDerWaalsContact CE-CD2 3.45Å; K31-H436 WeakPolarHBondContact CE-CD2 3.49Å; K31-H436 VanDerWaalsContact CE-NE2 3.27Å; K31-H436 WeakPolarHBondContact CE-NE2 3.35Å
32	N	92.3	Very high	95.8	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	20%	0.198	C	C	.	.	S	Bend	trans	-85.1	169.4	-177.4	-55.7	-55.4	0	0	0	111.5	E30 N34 N242	E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 HydrophobicContact CG-CB 4.32Å; E30-N32 PolarHBondContact O-N 3.01Å; E30-N32 WeakPolarHBondContact OE1-CB 3.27Å; E30-N32 VanDerWaalsContact OE1-CG 3.32Å; E30-N32 PolarHBondContact OE1-N 3.4Å; E30-N32 PolarHBondContact OE1-ND2 3.32Å; N32-N34 PolarHBondContact O-N 3.26Å; N32-N242 PolarHBondContact O-N 3.26Å
33	N	93.9	Very high	95.8	Very high	115 Å²	115	37.9 Å²	37.9	62%	0.615	20%	0.203	S	C	*	.	S	Bend	trans	-80.9	4.2	177.4	69	-3.1	0	0	0	113.6	L241 N242	N33-L241 WeakPolarHBondContact O-CD1 3.33Å; N33-N242 WeakPolarHBondContact CB-OD1 3.28Å
34	N	94.5	Very high	95.8	Very high	35 Å²	35	38.3 Å²	38.3	19%	0.187	19%	0.186	C	C	.	.	S	Bend	trans	-151.2	161.7	179.3	76.6	-58	0	0	0	111.4	E30 N32 N40 Y222	E30-N34 WeakPolarHBondContact CG-O 3.1Å; N32-N34 PolarHBondContact O-N 3.26Å; N34-N40 VanDerWaalsContact ND2-CG 3.29Å; N34-N40 PolarHBondContact ND2-ND2 3.32Å; N34-N40 VanDerWaalsContact ND2-ND2 3.19Å; N34-N40 PolarHBondContact ND2-OD1 2.91Å; N34-N40 PolarHBondContact OD1-ND2 2.9Å; N34-Y222 PolarHBondContact ND2-OH 3.43Å
35	V	96.9	Very high	95.8	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	-86.2	173.1	178.7	-58.1	0	0	0	0	111.7	A8 L13 Y222 A229 I239 L241	A8-V35 HydrophobicContact CB-CB 4.01Å; A8-V35 HydrophobicContact CB-CG1 3.83Å; L13-V35 HydrophobicContact CD1-CB 4.26Å; L13-V35 HydrophobicContact CD1-CG2 4.45Å; L13-V35 HydrophobicContact CD2-CB 4.44Å; L13-V35 HydrophobicContact CD2-CG1 4.41Å; V35-Y222 WeakPolarHBondContact O-CE2 3.38Å; V35-A229 HydrophobicContact CG2-CB 3.91Å; V35-I239 HydrophobicContact CG1-CG2 3.96Å; V35-L241 HydrophobicContact CG1-CD2 3.94Å
36	G	95	Very high	95.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	109.6	-22.4	171.4	0	0	0	0	0	114.4	A8 R38 M39	A8-G36 WeakPolarHBondContact O-CA 3.31Å; A8-G36 PolarHBondContact O-N 3.49Å; G36-R38 PolarHBondContact O-N 2.67Å; G36-M39 CarbonylContact C-O 3.57Å; G36-M39 VanDerWaalsContact CA-O 3.26Å; G36-M39 WeakPolarHBondContact CA-O 3.27Å; G36-M39 WeakPolarHBondContact O-CB 3.44Å; G36-M39 PolarHBondContact O-N 3Å
37	G	92.4	Very high	95.7	Very high	12 Å²	12	39 Å²	39	12%	0.124	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-120.1	180	0	0	0	0	0	111.1	M39 N40 Y435	G37-M39 VanDerWaalsContact C-N 3.3Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; G37-Y435 VanDerWaalsContact O-CE1 3.23Å; G37-Y435 WeakPolarHBondContact O-CE1 3.44Å
38	R	92.2	Very high	95.6	Very high	55 Å²	55	39.2 Å²	39.2	21%	0.208	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.8	174.8	-65.8	179.7	-171.7	143.6	5.4	113.5	G36 N40 G52 P53 D277 Y435	G36-R38 PolarHBondContact O-N 2.67Å; R38-N40 VanDerWaalsContact C-N 3.28Å; R38-N40 PolarHBondContact O-N 2.68Å; R38-N40 VanDerWaalsContact O-N 3.15Å; R38-G52 WeakPolarHBondContact O-CA 3.14Å; R38-G52 PolarHBondContact O-N 3.2Å; R38-P53 WeakPolarHBondContact O-CD 3.36Å; R38-D277 IonicContact NH2-OD1 2.92Å; R38-Y435 HydrophobicContact CG-CD1 3.9Å; R38-Y435 HydrophobicContact CG-CD2 3.99Å; R38-Y435 HydrophobicContact CG-CE1 4.15Å; R38-Y435 HydrophobicContact CG-CE2 4.2Å; R38-Y435 HydrophobicContact CG-CG 3.82Å
39	M	94.8	Very high	95.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.025	21%	0.208	C	C	.	.	S	Bend	trans	-85.9	77.9	170	-177.7	-176.4	-78	0	0	107.6	V10 G36 G37 P53 M221 Y222 M224 A225 V480	V10-M39 HydrophobicContact CG1-CB 4.05Å; V10-M39 HydrophobicContact CG1-CE 3.71Å; V10-M39 HydrophobicContact CG1-CG 4.28Å; V10-M39 HydrophobicContact CG1-SD 3.22Å; V10-M39 WeakPolarHBondContact CG1-SD 3.08Å; G36-M39 CarbonylContact C-O 3.57Å; G36-M39 VanDerWaalsContact CA-O 3.26Å; G36-M39 WeakPolarHBondContact CA-O 3.27Å; G36-M39 WeakPolarHBondContact O-CB 3.44Å; G36-M39 PolarHBondContact O-N 3Å; G37-M39 VanDerWaalsContact C-N 3.3Å; M39-P53 HydrophobicContact CB-CG 4.14Å; M39-P53 HydrophobicContact CE-CG 4.14Å; M39-P53 HydrophobicContact CG-CG 4.33Å; M39-M221 HydrophobicContact CE-CB 4.43Å; M39-M221 HydrophobicContact CE-CE 3.56Å; M39-M221 HydrophobicContact CE-SD 4.13Å; M39-M221 HydrophobicContact CG-CB 4.14Å; M39-M221 VanDerWaalsContact CG-O 3.31Å; M39-M221 WeakPolarHBondContact CG-O 3.43Å; M39-Y222 VanDerWaalsContact O-CD2 3.3Å; M39-Y222 WeakPolarHBondContact O-CD2 3.05Å; M39-M224 HydrophobicContact CE-CB 4.25Å; M39-M224 HydrophobicContact CE-CG 4.36Å; M39-M224 HydrophobicContact SD-CB 3.69Å; M39-M224 HydrophobicContact SD-CG 4.08Å; M39-A225 HydrophobicContact CG-CB 4.27Å; M39-A225 HydrophobicContact SD-CB 4.06Å; M39-V480 HydrophobicContact CE-CG1 3.75Å; M39-V480 HydrophobicContact CE-CG2 3.92Å
40	N	93.5	Very high	95.5	Very high	20 Å²	20	39.3 Å²	39.3	11%	0.107	21%	0.209	C	C	.	.			trans	-134.1	174.7	-175	-158.5	-9.2	0	0	0	110.2	N34 G37 R38 M51	N34-N40 VanDerWaalsContact ND2-CG 3.29Å; N34-N40 PolarHBondContact ND2-ND2 3.32Å; N34-N40 VanDerWaalsContact ND2-ND2 3.19Å; N34-N40 PolarHBondContact ND2-OD1 2.91Å; N34-N40 PolarHBondContact OD1-ND2 2.9Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; R38-N40 VanDerWaalsContact C-N 3.28Å; R38-N40 PolarHBondContact O-N 2.68Å; R38-N40 VanDerWaalsContact O-N 3.15Å; N40-M51 PolarHBondContact O-N 3.05Å
41	Q	95.2	Very high	95.3	Very high	25 Å²	25	40 Å²	40	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.1	-179.3	-87.4	173.7	-5.6	0	0	113.2	T48 F49 D50 G219 Y222	Q41-T48 HydrophobicContact CB-CG2 4.21Å; Q41-T48 HydrophobicContact CG-CG2 3.83Å; Q41-T48 VanDerWaalsContact OE1-CG2 3.32Å; Q41-F49 CarbonylContact C-O 3.54Å; Q41-F49 WeakPolarHBondContact CA-O 3.38Å; Q41-D50 PolarHBondContact NE2-OD1 3.11Å; Q41-G219 PolarHBondContact NE2-O 3.34Å; Q41-Y222 HydrophobicContact CB-CD1 4.43Å; Q41-Y222 HydrophobicContact CB-CG 4.38Å; Q41-Y222 HydrophobicContact CG-CD1 4.22Å; Q41-Y222 HydrophobicContact CG-CG 3.98Å
42	L	95.1	Very high	95	Very high	37 Å²	37	38.2 Å²	38.2	19%	0.194	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.7	162.9	175.3	66	0	0	0	108.2	T48 F49 M51 Y313 T424	L42-T48 WeakPolarHBondContact O-CA 3.47Å; L42-F49 HydrophobicContact CB-CB 4.46Å; L42-F49 HydrophobicContact CD2-CD2 4.3Å; L42-F49 HydrophobicContact CG-CD2 4.43Å; L42-F49 PolarHBondContact N-O 3.18Å; L42-F49 PolarHBondContact O-N 2.85Å; L42-M51 HydrophobicContact CB-CG 3.91Å; L42-M51 HydrophobicContact CB-SD 4.09Å; L42-Y313 HydrophobicContact CD2-CD1 4.46Å; L42-Y313 HydrophobicContact CD2-CD2 3.63Å; L42-Y313 HydrophobicContact CD2-CE2 4.16Å; L42-Y313 HydrophobicContact CD2-CG 3.8Å; L42-T424 HydrophobicContact CD2-CG2 3.75Å
43	K	96.7	Very high	95	Very high	143 Å²	143	38.2 Å²	38.2	62%	0.622	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.6	172	-65.5	-173.4	177.7	-175.1	0	109.4	F47 T48	K43-F47 WeakPolarHBondContact CA-O 3.33Å; K43-T48 HydrophobicContact CG-CG2 4.09Å
44	K	97.4	Very high	95	Very high	78 Å²	78	33.3 Å²	33.3	34%	0.339	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	134.8	-176.3	-169.6	-173.9	174.6	175.6	0	110.2	G46 F47 E423 T424	K44-G46 PolarHBondContact O-N 2.92Å; K44-F47 PolarHBondContact N-O 2.9Å; K44-F47 WeakPolarHBondContact O-CB 3.39Å; K44-F47 PolarHBondContact O-N 2.99Å; K44-E423 PolarHBondContact NZ-O 2.97Å; K44-T424 WeakPolarHBondContact CD-OG1 3.36Å; K44-T424 PolarHBondContact NZ-OG1 2.9Å; K44-T424 VanDerWaalsContact NZ-OG1 3.1Å
45	D	97.4	Very high	94.9	Very high	102 Å²	102	32.6 Å²	32.6	55%	0.545	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.6	176.5	-50.8	-39.4	0	0	0	114.5	F47 S422	D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 HydrophobicContact CB-CD2 4.27Å; D45-F47 WeakPolarHBondContact O-CD2 3.43Å; D45-S422 VanDerWaalsContact OD2-CB 3.24Å; D45-S422 WeakPolarHBondContact OD2-CB 3.47Å; D45-S422 PolarHBondContact OD2-OG 3.42Å
46	G	97	Very high	94.8	Very high	55 Å²	55	31.9 Å²	31.9	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-10	-177.5	0	0	0	0	0	115.4	K44	K44-G46 PolarHBondContact O-N 2.92Å
47	F	98.3	Very high	94.6	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148.4	174.6	-58	-88.8	0	0	0	111.4	K43 K44 D45 F49 A366 P367 K370 T371 V421	K43-F47 WeakPolarHBondContact CA-O 3.33Å; K44-F47 PolarHBondContact N-O 2.9Å; K44-F47 WeakPolarHBondContact O-CB 3.39Å; K44-F47 PolarHBondContact O-N 2.99Å; D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 HydrophobicContact CB-CD2 4.27Å; D45-F47 WeakPolarHBondContact O-CD2 3.43Å; F47-F49 HydrophobicContact CB-CD2 4.25Å; F47-F49 HydrophobicContact CB-CE1 4.41Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.5Å; F47-F49 HydrophobicContact CD1-CZ 4.48Å; F47-F49 HydrophobicContact CG-CE2 4.33Å; F47-F49 HydrophobicContact CG-CZ 4.05Å; F47-A366 HydrophobicContact CD1-CB 4Å; F47-A366 HydrophobicContact CE1-CB 4.31Å; F47-P367 HydrophobicContact CE1-CG 4.45Å; F47-P367 HydrophobicContact CZ-CG 4.44Å; F47-K370 HydrophobicContact CE1-CB 3.83Å; F47-K370 HydrophobicContact CZ-CB 3.96Å; F47-K370 HydrophobicContact CZ-CD 3.86Å; F47-T371 VanDerWaalsContact CE1-O 3.31Å; F47-T371 WeakPolarHBondContact CE1-O 3.14Å; F47-V421 HydrophobicContact CE2-CG2 3.95Å; F47-V421 HydrophobicContact CZ-CG2 3.93Å
48	T	98	Very high	94.5	Very high	18 Å²	18	34 Å²	34	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120	173.7	-59.9	0	0	0	0	109.8	Q41 L42 K43 L365	Q41-T48 HydrophobicContact CB-CG2 4.21Å; Q41-T48 HydrophobicContact CG-CG2 3.83Å; Q41-T48 VanDerWaalsContact OE1-CG2 3.32Å; L42-T48 WeakPolarHBondContact O-CA 3.47Å; K43-T48 HydrophobicContact CG-CG2 4.09Å; T48-L365 HydrophobicContact CG2-CD2 3.74Å; T48-L365 PolarHBondContact N-O 3.09Å
49	F	97.6	Very high	94.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.2	-179.1	-51.3	-88.9	0	0	0	111	Q41 L42 F47 Y313	Q41-F49 CarbonylContact C-O 3.54Å; Q41-F49 WeakPolarHBondContact CA-O 3.38Å; L42-F49 HydrophobicContact CB-CB 4.46Å; L42-F49 HydrophobicContact CD2-CD2 4.3Å; L42-F49 HydrophobicContact CG-CD2 4.43Å; L42-F49 PolarHBondContact N-O 3.18Å; L42-F49 PolarHBondContact O-N 2.85Å; F47-F49 HydrophobicContact CB-CD2 4.25Å; F47-F49 HydrophobicContact CB-CE1 4.41Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.5Å; F47-F49 HydrophobicContact CD1-CZ 4.48Å; F47-F49 HydrophobicContact CG-CE2 4.33Å; F47-F49 HydrophobicContact CG-CZ 4.05Å; F49-Y313 HydrophobicContact CB-CD1 3.41Å; F49-Y313 VanDerWaalsContact CB-CD1 3.41Å; F49-Y313 HydrophobicContact CB-CE1 3.93Å; F49-Y313 HydrophobicContact CB-CG 4.27Å; F49-Y313 HydrophobicContact CD1-CD1 4.08Å; F49-Y313 HydrophobicContact CD2-CD1 4.34Å; F49-Y313 HydrophobicContact CD2-CG 4.43Å; F49-Y313 AromaticContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CG 4.2Å
50	D	96.1	Very high	94.6	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.9	166.2	-71.8	-47.9	0	0	0	109.7	Q41 T54 G220 M221 Y222	Q41-D50 PolarHBondContact NE2-OD1 3.11Å; D50-T54 HydrophobicContact CB-CG2 4.45Å; D50-G220 VanDerWaalsContact OD2-CA 3.24Å; D50-G220 WeakPolarHBondContact OD2-CA 3.18Å; D50-M221 VanDerWaalsContact CG-N 3.3Å; D50-M221 PolarHBondContact OD1-N 3.43Å; D50-M221 PolarHBondContact OD2-N 2.68Å; D50-Y222 PolarHBondContact OD1-N 3.15Å
51	M	92.8	Very high	94.6	Very high	23 Å²	23	36.8 Å²	36.8	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	-87.6	-18.7	-172.5	-68.5	-171	74	0	0	114.6	N40 L42 Y313 F426	N40-M51 PolarHBondContact O-N 3.05Å; L42-M51 HydrophobicContact CB-CG 3.91Å; L42-M51 HydrophobicContact CB-SD 4.09Å; M51-Y313 WeakPolarHBondContact CA-OH 3.27Å; M51-Y313 PolarHBondContact O-OH 2.91Å; M51-F426 HydrophobicContact CE-CD2 3.87Å; M51-F426 HydrophobicContact CE-CE2 3.71Å
52	G	88	Confident	94.7	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	20%	0.2	C	C	.	.	S	Bend	trans	-131.9	-106.4	-173.6	0	0	0	0	0	111.7	R38	R38-G52 WeakPolarHBondContact O-CA 3.14Å; R38-G52 PolarHBondContact O-N 3.2Å
53	P	92.6	Very high	94.9	Very high	35 Å²	35	36.1 Å²	36.1	23%	0.227	20%	0.201	C	C	.	.			trans	-69.3	141.9	-178.4	32.6	-36.1	0	0	0	110.5	R38 M39 M221 V480	R38-P53 WeakPolarHBondContact O-CD 3.36Å; M39-P53 HydrophobicContact CB-CG 4.14Å; M39-P53 HydrophobicContact CE-CG 4.14Å; M39-P53 HydrophobicContact CG-CG 4.33Å; P53-M221 HydrophobicContact CB-CE 3.58Å; P53-M221 HydrophobicContact CG-CB 4.44Å; P53-M221 HydrophobicContact CG-CE 3.78Å; P53-M221 WeakPolarHBondContact O-CB 3.49Å; P53-M221 WeakPolarHBondContact O-CG 3.49Å; P53-V480 HydrophobicContact CB-CG2 3.66Å; P53-V480 HydrophobicContact CG-CG2 3.76Å
54	T	93.5	Very high	94.9	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.074	18%	0.183	C	C	.	.			trans	-124.9	-16.6	179.1	54.9	0	0	0	0	113.3	D50 H327 Y354 Y356 Y374	D50-T54 HydrophobicContact CB-CG2 4.45Å; T54-H327 PolarHBondContact O-CE1 2.82Å; T54-Y354 WeakPolarHBondContact CB-OH 3.27Å; T54-Y354 HydrophobicContact CG2-CE1 4.45Å; T54-Y354 WeakPolarHBondContact OG1-CE1 3.25Å; T54-Y354 PolarHBondContact OG1-OH 3.27Å; T54-Y356 HydrophobicContact CG2-CD1 3.53Å; T54-Y356 HydrophobicContact CG2-CE1 3.82Å; T54-Y356 HydrophobicContact CG2-CG 3.94Å; T54-Y374 HydrophobicContact CG2-CD1 4.44Å; T54-Y374 HydrophobicContact CG2-CE1 4.31Å
55	I	92.6	Very high	94.9	Very high	20 Å²	20	27.8 Å²	27.8	10%	0.103	17%	0.167	C	C	.	.			trans	-108.1	127.4	-172.6	-59	177.5	0	0	0	109.7	M57 Y190 V214 Y354	I55-M57 HydrophobicContact CG2-CG 3.92Å; I55-Y190 HydrophobicContact CD1-CD2 4.31Å; I55-Y190 HydrophobicContact CD1-CE1 4.11Å; I55-Y190 HydrophobicContact CD1-CE2 3.36Å; I55-Y190 WeakPolarHBondContact CD1-OH 3.34Å; I55-Y190 HydrophobicContact CG2-CE2 4.38Å; I55-V214 HydrophobicContact CG2-CG1 3.75Å; I55-V214 HydrophobicContact CG2-CG2 4Å; I55-Y354 HydrophobicContact CD1-CE2 4.38Å
56	V	94	Very high	94.9	Very high	2 Å²	2	23 Å²	23	1%	0.012	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-101.2	106.1	176.9	-171.5	0	0	0	0	109.5	Y62 L79 H215 I217 M221	V56-Y62 HydrophobicContact CG1-CD2 4.34Å; V56-Y62 HydrophobicContact CG1-CE1 4.1Å; V56-Y62 HydrophobicContact CG1-CE2 3.98Å; V56-L79 HydrophobicContact CG1-CD1 3.83Å; V56-H215 HydrophobicContact CB-CB 3.96Å; V56-H215 VanDerWaalsContact CB-O 3.29Å; V56-H215 WeakPolarHBondContact CB-O 3.15Å; V56-H215 HydrophobicContact CG1-CB 3.99Å; V56-H215 WeakPolarHBondContact CG2-O 3.37Å; V56-H215 PolarHBondContact O-N 2.84Å; V56-I217 HydrophobicContact CG1-CD1 4.32Å; V56-I217 HydrophobicContact CG2-CD1 3.96Å; V56-I217 HydrophobicContact CG2-CG1 3.93Å; V56-M221 HydrophobicContact CG2-SD 3.44Å; V56-M221 WeakPolarHBondContact CG2-SD 3.44Å
57	M	90.8	Very high	95	Very high	31 Å²	31	23.9 Å²	23.9	15%	0.153	14%	0.136	C	C	.	.			trans	-109.7	162	173.5	-62.5	-179.2	-80.5	0	0	110.2	I55 Y62 Y190 I205 I208 E209	I55-M57 HydrophobicContact CG2-CG 3.92Å; M57-Y62 WeakPolarHBondContact O-CE2 3.44Å; M57-Y190 HydrophobicContact CE-CD2 4.11Å; M57-I205 HydrophobicContact SD-CG2 4.26Å; M57-I208 HydrophobicContact CB-CG2 4.06Å; M57-I208 HydrophobicContact SD-CG2 4.46Å; M57-E209 HydrophobicContact CG-CG 4.02Å; M57-E209 HydrophobicContact SD-CG 3.54Å; M57-E209 VanDerWaalsContact SD-CG 3.54Å
58	M	91.8	Very high	94.9	Very high	27 Å²	27	25.8 Å²	25.8	13%	0.133	15%	0.152	C	C	.	.			trans	52.1	60.1	175.8	-52.5	179.9	67.2	0	0	112.7	D60 V61 Y131 I208 P481	M58-D60 PolarHBondContact O-N 2.8Å; M58-V61 HydrophobicContact CB-CG2 4.02Å; M58-V61 HydrophobicContact CE-CG2 3.81Å; M58-V61 PolarHBondContact O-N 2.83Å; M58-Y131 HydrophobicContact CE-CE2 4.38Å; M58-Y131 WeakPolarHBondContact CE-OH 3.44Å; M58-I208 HydrophobicContact CG-CD1 4.22Å; M58-I208 HydrophobicContact CG-CG2 3.56Å; M58-I208 HydrophobicContact SD-CD1 3.84Å; M58-P481 HydrophobicContact CB-CB 4.19Å; M58-P481 HydrophobicContact CB-CG 4.13Å; M58-P481 HydrophobicContact CG-CB 4.36Å; M58-P481 HydrophobicContact CG-CG 4.3Å; M58-P481 HydrophobicContact SD-CB 3.64Å; M58-P481 HydrophobicContact SD-CG 4.09Å
59	P	93.7	Very high	94.9	Very high	10 Å²	10	25.6 Å²	25.6	7%	0.065	15%	0.151	C	C	.	.	H	α-helix	trans	-53.4	-32.2	-172.2	26.1	-39.2	0	0	0	113.2	V61 Y62 K63 L79	P59-V61 VanDerWaalsContact C-N 3.27Å; P59-V61 PolarHBondContact O-N 3.39Å; P59-Y62 WeakPolarHBondContact O-CB 3.46Å; P59-Y62 PolarHBondContact O-N 3.04Å; P59-Y62 VanDerWaalsContact O-N 3.13Å; P59-K63 WeakPolarHBondContact O-CG 3.44Å; P59-K63 PolarHBondContact O-N 3.2Å; P59-L79 HydrophobicContact CB-CD2 3.57Å
60	D	94.5	Very high	95	Very high	101 Å²	101	29 Å²	29	54%	0.54	19%	0.186	S	C	.	.	H	α-helix	trans	-65.4	-27.2	-179.3	-63.2	-22.8	0	0	0	113.5	M58 Y62 K63 D64	M58-D60 PolarHBondContact O-N 2.8Å; D60-Y62 VanDerWaalsContact C-N 3.31Å; D60-Y62 PolarHBondContact O-N 3.18Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 IonicContact OD1-NZ 3.39Å; D60-K63 PolarHBondContact OD1-NZ 2.88Å; D60-D64 VanDerWaalsContact O-CB 3.29Å; D60-D64 WeakPolarHBondContact O-CB 3.48Å; D60-D64 PolarHBondContact O-N 3.1Å
61	V	94.5	Very high	95.1	Very high	26 Å²	26	32.5 Å²	32.5	16%	0.158	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-34	175	178.2	0	0	0	0	111.5	M58 P59 P481 L484	M58-V61 HydrophobicContact CB-CG2 4.02Å; M58-V61 HydrophobicContact CE-CG2 3.81Å; M58-V61 PolarHBondContact O-N 2.83Å; P59-V61 VanDerWaalsContact C-N 3.27Å; P59-V61 PolarHBondContact O-N 3.39Å; V61-P481 HydrophobicContact CB-CB 4.37Å; V61-P481 HydrophobicContact CG1-CB 4.25Å; V61-P481 WeakPolarHBondContact CG1-O 3.44Å; V61-P481 HydrophobicContact CG2-CB 4.41Å; V61-L484 HydrophobicContact CG1-CB 3.75Å; V61-L484 HydrophobicContact CG1-CD1 4.13Å
62	Y	97	Very high	95.3	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-44.8	176.3	-66.1	-113.3	0	0	0	109.9	V56 M57 P59 D60 F66 I217 M221 M224 V480 P481 L484	V56-Y62 HydrophobicContact CG1-CD2 4.34Å; V56-Y62 HydrophobicContact CG1-CE1 4.1Å; V56-Y62 HydrophobicContact CG1-CE2 3.98Å; M57-Y62 WeakPolarHBondContact O-CE2 3.44Å; P59-Y62 WeakPolarHBondContact O-CB 3.46Å; P59-Y62 PolarHBondContact O-N 3.04Å; P59-Y62 VanDerWaalsContact O-N 3.13Å; D60-Y62 VanDerWaalsContact C-N 3.31Å; D60-Y62 PolarHBondContact O-N 3.18Å; Y62-F66 WeakPolarHBondContact O-CD2 3.49Å; Y62-F66 WeakPolarHBondContact O-CE2 3.29Å; Y62-I217 HydrophobicContact CD1-CD1 3.99Å; Y62-I217 HydrophobicContact CE1-CD1 4.1Å; Y62-M221 HydrophobicContact CE1-CE 4.42Å; Y62-M224 HydrophobicContact CD1-CE 3.97Å; Y62-M224 HydrophobicContact CD1-CG 3.94Å; Y62-M224 HydrophobicContact CD1-SD 3.89Å; Y62-M224 HydrophobicContact CE1-CG 4.34Å; Y62-M224 HydrophobicContact CG-CE 4.41Å; Y62-V480 HydrophobicContact CE1-CG1 3.58Å; Y62-V480 HydrophobicContact CE2-CG1 4.37Å; Y62-V480 VanDerWaalsContact CZ-CG1 3.46Å; Y62-V480 WeakPolarHBondContact OH-CB 3.31Å; Y62-V480 VanDerWaalsContact OH-CG1 3.23Å; Y62-V480 WeakPolarHBondContact OH-CG1 2.98Å; Y62-P481 HydrophobicContact CE2-CG 4.11Å; Y62-L484 HydrophobicContact CD1-CD1 4.29Å; Y62-L484 HydrophobicContact CD2-CD1 4.47Å; Y62-L484 HydrophobicContact CG-CD1 4.25Å
63	K	97.5	Very high	95.8	Very high	47 Å²	47	36.5 Å²	36.5	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-40.1	176.7	-59.3	172.5	-165.2	160.1	0	112.3	P59 D60 V65 F66 T67 Y73	P59-K63 WeakPolarHBondContact O-CG 3.44Å; P59-K63 PolarHBondContact O-N 3.2Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 IonicContact OD1-NZ 3.39Å; D60-K63 PolarHBondContact OD1-NZ 2.88Å; K63-V65 PolarHBondContact O-N 3.15Å; K63-V65 VanDerWaalsContact O-N 3.1Å; K63-F66 PolarHBondContact O-N 2.92Å; K63-T67 PolarHBondContact O-N 2.95Å; K63-T67 VanDerWaalsContact O-N 3.1Å; K63-T67 PolarHBondContact O-OG1 2.66Å; K63-Y73 HydrophobicContact CB-CD1 4.01Å; K63-Y73 HydrophobicContact CB-CG 4.1Å; K63-Y73 HydrophobicContact CD-CD1 4.13Å; K63-Y73 HydrophobicContact CD-CE1 3.8Å; K63-Y73 HydrophobicContact CD-CE2 4.22Å; K63-Y73 HydrophobicContact CD-CG 4.5Å; K63-Y73 HydrophobicContact CG-CD1 3.8Å; K63-Y73 HydrophobicContact CG-CD2 3.85Å; K63-Y73 HydrophobicContact CG-CE1 3.97Å; K63-Y73 HydrophobicContact CG-CE2 3.99Å; K63-Y73 HydrophobicContact CG-CG 3.75Å
64	D	97.2	Very high	96	Very high	47 Å²	47	39.5 Å²	39.5	25%	0.251	23%	0.226	S	C	.	.	H	α-helix	trans	-55.6	-29.5	-177	-175.7	76	0	0	0	113	R18 D60 T67 A68 K488	R18-D64 IonicContact CZ-OD2 2.77Å; R18-D64 IonicContact NH1-OD2 3.1Å; R18-D64 PolarHBondContact NH2-O 3.2Å; R18-D64 IonicContact NH2-OD2 3.8Å; R18-D64 PolarHBondContact NH2-OD2 3.34Å; D60-D64 VanDerWaalsContact O-CB 3.29Å; D60-D64 WeakPolarHBondContact O-CB 3.48Å; D60-D64 PolarHBondContact O-N 3.1Å; D64-T67 WeakPolarHBondContact CA-OG1 3.02Å; D64-T67 PolarHBondContact O-OG1 2.95Å; D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 2.92Å; D64-K488 IonicContact OD1-NZ 2.73Å; D64-K488 PolarHBondContact OD1-NZ 3.46Å; D64-K488 IonicContact OD2-NZ 2.66Å; D64-K488 PolarHBondContact OD2-NZ 2.85Å
65	V	97.7	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-45.2	177.7	-172.8	0	0	0	0	111.3	A14 K63 C69 L228 L231 L484	A14-V65 HydrophobicContact CB-CG1 3.72Å; A14-V65 HydrophobicContact CB-CG2 4.09Å; K63-V65 PolarHBondContact O-N 3.15Å; K63-V65 VanDerWaalsContact O-N 3.1Å; V65-C69 PolarHBondContact O-N 2.92Å; V65-C69 PolarHBondContact O-SG 3.04Å; V65-L228 HydrophobicContact CB-CD2 4.18Å; V65-L228 HydrophobicContact CG1-CD2 3.56Å; V65-L231 HydrophobicContact CG1-CD2 4.37Å; V65-L484 HydrophobicContact CG2-CD2 4.09Å
66	F	98.5	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-46.7	-179.8	-57.7	-86.1	0	0	0	111	Y62 K63 A68 C69 G70 K71 Y76 I77 M224 L228 L231	Y62-F66 WeakPolarHBondContact O-CD2 3.49Å; Y62-F66 WeakPolarHBondContact O-CE2 3.29Å; K63-F66 PolarHBondContact O-N 2.92Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.89Å; F66-C69 CarbonylContact O-C 3.58Å; F66-C69 WeakPolarHBondContact O-CA 3.43Å; F66-C69 WeakPolarHBondContact O-CB 3.38Å; F66-C69 PolarHBondContact O-N 2.8Å; F66-G70 PolarHBondContact O-N 2.88Å; F66-K71 CarbonylContact C-O 3.58Å; F66-K71 HydrophobicContact CB-CB 4.47Å; F66-K71 PolarHBondContact O-N 2.83Å; F66-Y76 HydrophobicContact CD1-CD1 4.47Å; F66-Y76 AromaticContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CE2 4.24Å; F66-Y76 AromaticContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CE1-CD1 4.14Å; F66-Y76 AromaticContact CE1-CD2 3.86Å; F66-Y76 HydrophobicContact CE1-CD2 3.86Å; F66-Y76 AromaticContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CE1-CG 3.47Å; F66-Y76 VanDerWaalsContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CG-CD2 4.48Å; F66-I77 HydrophobicContact CE2-CD1 3.83Å; F66-I77 HydrophobicContact CE2-CG1 4.13Å; F66-I77 HydrophobicContact CE2-CG2 4.35Å; F66-I77 HydrophobicContact CZ-CD1 4.46Å; F66-I77 HydrophobicContact CZ-CG1 4.43Å; F66-I77 HydrophobicContact CZ-CG2 3.92Å; F66-M224 HydrophobicContact CE2-CE 3.91Å; F66-M224 HydrophobicContact CE2-SD 3.99Å; F66-M224 HydrophobicContact CZ-CE 4.35Å; F66-M224 HydrophobicContact CZ-SD 4.17Å; F66-L228 HydrophobicContact CE1-CD2 4.34Å; F66-L228 HydrophobicContact CE2-CD2 4.41Å; F66-L228 HydrophobicContact CZ-CD2 3.96Å; F66-L228 HydrophobicContact CZ-CG 4.44Å; F66-L231 HydrophobicContact CD1-CB 4.37Å; F66-L231 HydrophobicContact CD1-CD1 4.46Å; F66-L231 HydrophobicContact CD1-CD2 3.75Å; F66-L231 HydrophobicContact CD1-CG 4.42Å; F66-L231 HydrophobicContact CE1-CB 4.16Å; F66-L231 HydrophobicContact CE1-CD2 4.03Å; F66-L231 HydrophobicContact CG-CD2 4.46Å
67	T	97.9	Very high	96.7	Very high	74 Å²	74	45.5 Å²	45.5	45%	0.454	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-36.7	-178.3	59.8	0	0	0	0	111.8	K63 D64 C69 G70 K71	K63-T67 PolarHBondContact O-N 2.95Å; K63-T67 VanDerWaalsContact O-N 3.1Å; K63-T67 PolarHBondContact O-OG1 2.66Å; D64-T67 WeakPolarHBondContact CA-OG1 3.02Å; D64-T67 PolarHBondContact O-OG1 2.95Å; T67-C69 PolarHBondContact O-N 2.66Å; T67-G70 PolarHBondContact O-N 3.41Å; T67-K71 WeakPolarHBondContact CA-O 3.49Å
68	A	97.2	Very high	97	Very high	42 Å²	42	47.5 Å²	47.5	35%	0.347	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-21.8	173.4	0	0	0	0	0	113.6	D64 F66 G70	D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 2.92Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.89Å; A68-G70 VanDerWaalsContact C-N 3.32Å
69	C	98.3	Very high	97.2	Very high	14 Å²	14	47.7 Å²	47.7	10%	0.095	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.3	173.2	-59.4	0	0	0	0	112.7	V65 F66 T67 K71 L231 L235	V65-C69 PolarHBondContact O-N 2.92Å; V65-C69 PolarHBondContact O-SG 3.04Å; F66-C69 CarbonylContact O-C 3.58Å; F66-C69 WeakPolarHBondContact O-CA 3.43Å; F66-C69 WeakPolarHBondContact O-CB 3.38Å; F66-C69 PolarHBondContact O-N 2.8Å; T67-C69 PolarHBondContact O-N 2.66Å; C69-K71 VanDerWaalsContact C-N 3.3Å; C69-K71 HydrophobicContact CB-CG 4.41Å; C69-K71 PolarHBondContact O-N 3.3Å; C69-L231 HydrophobicContact CB-CD1 4.23Å; C69-L235 HydrophobicContact CB-CD1 4.19Å
70	G	97.9	Very high	97.3	Very high	72 Å²	72	54 Å²	54	74%	0.742	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	24.2	-177	0	0	0	0	0	113.8	F66 T67 A68	F66-G70 PolarHBondContact O-N 2.88Å; T67-G70 PolarHBondContact O-N 3.41Å; A68-G70 VanDerWaalsContact C-N 3.32Å
71	K	98.2	Very high	97.3	Very high	77 Å²	77	54.5 Å²	54.5	34%	0.335	29%	0.288	S	S	.	.			trans	-113.8	156	-178.7	-62.9	-64.1	-172.3	164.4	0	111.3	F66 T67 C69 Y76 L231	F66-K71 CarbonylContact C-O 3.58Å; F66-K71 HydrophobicContact CB-CB 4.47Å; F66-K71 PolarHBondContact O-N 2.83Å; T67-K71 WeakPolarHBondContact CA-O 3.49Å; C69-K71 VanDerWaalsContact C-N 3.3Å; C69-K71 HydrophobicContact CB-CG 4.41Å; C69-K71 PolarHBondContact O-N 3.3Å; K71-Y76 HydrophobicContact CB-CE2 3.87Å; K71-Y76 HydrophobicContact CG-CE2 4.26Å; K71-L231 HydrophobicContact CB-CD1 4.21Å; K71-L231 HydrophobicContact CG-CD1 3.65Å
72	N	97.8	Very high	97.3	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	29%	0.287	S	S	.	.			trans	-86.9	130.9	172.6	-160.9	32.7	0	0	0	110	E74 D75 Y76	N72-E74 VanDerWaalsContact C-N 3.32Å; N72-E74 PolarHBondContact ND2-OE2 2.88Å; N72-E74 PolarHBondContact O-N 3.49Å; N72-E74 PolarHBondContact OD1-OE2 2.79Å; N72-D75 PolarHBondContact O-N 3.44Å; N72-Y76 VanDerWaalsContact O-CD2 3.3Å; N72-Y76 WeakPolarHBondContact O-CD2 3.46Å
73	Y	97.8	Very high	97.2	Very high	49 Å²	49	61.9 Å²	61.9	19%	0.192	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-71.8	-29.3	-173.4	74	-85.7	0	0	0	112.1	K63 D75 Y76 I77	K63-Y73 HydrophobicContact CB-CD1 4.01Å; K63-Y73 HydrophobicContact CB-CG 4.1Å; K63-Y73 HydrophobicContact CD-CD1 4.13Å; K63-Y73 HydrophobicContact CD-CE1 3.8Å; K63-Y73 HydrophobicContact CD-CE2 4.22Å; K63-Y73 HydrophobicContact CD-CG 4.5Å; K63-Y73 HydrophobicContact CG-CD1 3.8Å; K63-Y73 HydrophobicContact CG-CD2 3.85Å; K63-Y73 HydrophobicContact CG-CE1 3.97Å; K63-Y73 HydrophobicContact CG-CE2 3.99Å; K63-Y73 HydrophobicContact CG-CG 3.75Å; Y73-D75 PolarHBondContact O-N 2.98Å; Y73-Y76 PolarHBondContact O-N 2.9Å; Y73-I77 HydrophobicContact CD2-CD1 4.32Å; Y73-I77 HydrophobicContact CD2-CG1 4.01Å; Y73-I77 PolarHBondContact O-N 3.48Å
74	E	97.7	Very high	97.1	Very high	98 Å²	98	62.2 Å²	62.2	46%	0.458	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-63.2	-18.2	177.4	-64.2	92.1	161.1	0	0	113.2	N72 Y76	N72-E74 VanDerWaalsContact C-N 3.32Å; N72-E74 PolarHBondContact ND2-OE2 2.88Å; N72-E74 PolarHBondContact O-N 3.49Å; N72-E74 PolarHBondContact OD1-OE2 2.79Å; E74-Y76 PolarHBondContact O-N 3.25Å
75	D	98.1	Very high	96.8	Very high	120 Å²	120	60 Å²	60	64%	0.642	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74.4	-15.5	174.7	-61.5	-25.6	0	0	0	112.3	N72 Y73	N72-D75 PolarHBondContact O-N 3.44Å; Y73-D75 PolarHBondContact O-N 2.98Å
76	Y	98.4	Very high	96.6	Very high	32 Å²	32	60.1 Å²	60.1	13%	0.125	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-34.5	-171.2	-63.1	-87.5	0	0	0	113.7	F66 K71 N72 Y73 E74 G227 Q230 L231 D234	F66-Y76 HydrophobicContact CD1-CD1 4.47Å; F66-Y76 AromaticContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CE2 4.24Å; F66-Y76 AromaticContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CE1-CD1 4.14Å; F66-Y76 AromaticContact CE1-CD2 3.86Å; F66-Y76 HydrophobicContact CE1-CD2 3.86Å; F66-Y76 AromaticContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CE1-CG 3.47Å; F66-Y76 VanDerWaalsContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CG-CD2 4.48Å; K71-Y76 HydrophobicContact CB-CE2 3.87Å; K71-Y76 HydrophobicContact CG-CE2 4.26Å; N72-Y76 VanDerWaalsContact O-CD2 3.3Å; N72-Y76 WeakPolarHBondContact O-CD2 3.46Å; Y73-Y76 PolarHBondContact O-N 2.9Å; E74-Y76 PolarHBondContact O-N 3.25Å; Y76-G227 WeakPolarHBondContact CD1-O 3.36Å; Y76-G227 WeakPolarHBondContact O-CA 2.98Å; Y76-Q230 HydrophobicContact CD1-CB 4.06Å; Y76-Q230 HydrophobicContact CD1-CG 4.09Å; Y76-Q230 HydrophobicContact CE1-CB 4.31Å; Y76-Q230 HydrophobicContact CE1-CG 4.02Å; Y76-L231 HydrophobicContact CD1-CB 4.03Å; Y76-L231 VanDerWaalsContact CE1-CA 3.46Å; Y76-L231 HydrophobicContact CE1-CB 3.88Å; Y76-L231 HydrophobicContact CE1-CD1 4.35Å; Y76-L231 HydrophobicContact CE2-CD1 4.38Å; Y76-D234 VanDerWaalsContact CE1-OD2 3.24Å; Y76-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y76-D234 VanDerWaalsContact CZ-OD2 3.32Å; Y76-D234 PolarHBondContact OH-OD2 2.7Å
77	I	97.7	Very high	96.5	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.041	30%	0.304	C	S	.	.			trans	-136.1	143	-178.7	63.1	170	0	0	0	111	F66 Y73 M224	F66-I77 HydrophobicContact CE2-CD1 3.83Å; F66-I77 HydrophobicContact CE2-CG1 4.13Å; F66-I77 HydrophobicContact CE2-CG2 4.35Å; F66-I77 HydrophobicContact CZ-CD1 4.46Å; F66-I77 HydrophobicContact CZ-CG1 4.43Å; F66-I77 HydrophobicContact CZ-CG2 3.92Å; Y73-I77 HydrophobicContact CD2-CD1 4.32Å; Y73-I77 HydrophobicContact CD2-CG1 4.01Å; Y73-I77 PolarHBondContact O-N 3.48Å; I77-M224 HydrophobicContact CD1-SD 3.99Å; I77-M224 HydrophobicContact CG2-SD 4.06Å
78	E	97	Very high	96.3	Very high	72 Å²	72	56.6 Å²	56.6	34%	0.336	28%	0.282	S	S	.	.			trans	-106.4	106.8	172.6	-168.2	-176	155.8	0	0	109	R80 I217 K218	E78-R80 IonicContact OE1-CZ 3.42Å; E78-R80 IonicContact OE1-NE 2.84Å; E78-R80 PolarHBondContact OE1-NE 3.18Å; E78-R80 IonicContact OE1-NH2 3.9Å; E78-R80 PolarHBondContact OE1-NH2 3.16Å; E78-I217 WeakPolarHBondContact O-CA 3.46Å; E78-K218 HydrophobicContact CB-CB 3.85Å; E78-K218 HydrophobicContact CB-CD 4.3Å; E78-K218 PolarHBondContact O-N 2.81Å; E78-K218 WeakPolarHBondContact OE2-CD 3.22Å; E78-K218 IonicContact OE2-NZ 3.53Å; E78-K218 PolarHBondContact OE2-NZ 2.81Å; E78-K218 VanDerWaalsContact OE2-NZ 3.15Å
79	L	96.3	Very high	96.2	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.9	-174.9	-175.2	73	0	0	0	110.4	V56 P59 H215 I217	V56-L79 HydrophobicContact CG1-CD1 3.83Å; P59-L79 HydrophobicContact CB-CD2 3.57Å; L79-H215 HydrophobicContact CD1-CB 3.65Å; L79-H215 HydrophobicContact CG-CB 4.15Å; L79-I217 HydrophobicContact CD1-CD1 4.19Å; L79-I217 HydrophobicContact CD1-CG1 3.44Å; L79-I217 VanDerWaalsContact CD1-CG1 3.44Å
80	R	95.3	Very high	95.9	Very high	143 Å²	143	55.7 Å²	55.7	54%	0.54	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.5	-178.8	-56.4	178.1	-177.5	-178.1	-3.3	110.6	E78 H215 F216	E78-R80 IonicContact OE1-CZ 3.42Å; E78-R80 IonicContact OE1-NE 2.84Å; E78-R80 PolarHBondContact OE1-NE 3.18Å; E78-R80 IonicContact OE1-NH2 3.9Å; E78-R80 PolarHBondContact OE1-NH2 3.16Å; R80-H215 CarbonylContact O-C 3.47Å; R80-H215 WeakPolarHBondContact O-CA 3.48Å; R80-H215 WeakPolarHBondContact O-CB 3.49Å; R80-F216 PolarHBondContact N-O 3.02Å; R80-F216 PolarHBondContact O-N 2.73Å
81	Q	95.3	Very high	95.6	Very high	112 Å²	112	57.1 Å²	57.1	52%	0.523	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.7	174.4	-166.5	174.1	30	0	0	110	T100 F212 H215	Q81-T100 HydrophobicContact CG-CG2 4.18Å; Q81-F212 PolarHBondContact NE2-O 3.45Å; Q81-H215 VanDerWaalsContact CA-CD2 3.49Å; Q81-H215 WeakPolarHBondContact CA-CD2 3.35Å
82	L	95.6	Very high	95.3	Very high	29 Å²	29	57 Å²	57	15%	0.152	26%	0.259	C	S	.	.			trans	-82.8	142.7	176.5	-60	174.1	0	0	0	110.2	Y84 T100 V214 F216 L326	L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 WeakPolarHBondContact CB-O 3.44Å; L82-T100 WeakPolarHBondContact O-CB 3.43Å; L82-T100 PolarHBondContact O-OG1 3.06Å; L82-V214 WeakPolarHBondContact CB-O 3.24Å; L82-V214 HydrophobicContact CD1-CB 4.36Å; L82-V214 HydrophobicContact CD1-CG1 3.82Å; L82-V214 PolarHBondContact N-O 2.81Å; L82-F216 HydrophobicContact CD2-CB 3.86Å; L82-F216 HydrophobicContact CG-CB 4.34Å; L82-L326 HydrophobicContact CD1-CD2 3.46Å; L82-L326 VanDerWaalsContact CD1-CD2 3.46Å; L82-L326 HydrophobicContact CD2-CD2 4.01Å; L82-L326 HydrophobicContact CG-CD2 4.37Å
83	R	94.3	Very high	95	Very high	153 Å²	153	60.2 Å²	60.2	58%	0.577	28%	0.277	S	S	*	.	S	Bend	trans	-65.6	-37.5	174	-178	177.3	178.6	-169.6	-0.8	112.1	T100 E104	R83-T100 WeakPolarHBondContact O-CB 3.49Å; R83-T100 PolarHBondContact O-N 3.28Å; R83-T100 PolarHBondContact O-OG1 3.47Å; R83-E104 IonicContact CZ-OE1 2.75Å; R83-E104 IonicContact NE-OE1 2.75Å; R83-E104 IonicContact NE-OE2 2.58Å; R83-E104 IonicContact NH2-OE1 2.87Å; R83-E104 PolarHBondContact NH2-OE1 2.89Å; R83-E104 IonicContact NH2-OE2 3.01Å
84	Y	94.2	Very high	94.7	Very high	53 Å²	53	60.3 Å²	60.3	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140	180	-57.2	-67.7	0	0	0	109.5	L82 T97 V98 P99	L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 WeakPolarHBondContact CB-O 3.44Å; Y84-T97 HydrophobicContact CD1-CG2 3.33Å; Y84-T97 HydrophobicContact CE1-CG2 3.7Å; Y84-T97 HydrophobicContact CG-CG2 3.81Å; Y84-V98 CarbonylContact C-O 3.58Å; Y84-V98 WeakPolarHBondContact CA-O 3.27Å; Y84-P99 HydrophobicContact CD1-CB 4.08Å; Y84-P99 HydrophobicContact CE1-CB 4.24Å
85	I	92.8	Very high	94.6	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-56.3	178	-56.1	-176.3	0	0	0	108.8	V98 E209 M210 V214 H327	I85-V98 HydrophobicContact CB-CB 4.38Å; I85-V98 HydrophobicContact CB-CG1 4.16Å; I85-V98 HydrophobicContact CD1-CG1 3.98Å; I85-V98 HydrophobicContact CG1-CG1 4.32Å; I85-V98 PolarHBondContact N-O 2.74Å; I85-E209 HydrophobicContact CD1-CB 4.45Å; I85-M210 HydrophobicContact CD1-SD 4.03Å; I85-V214 HydrophobicContact CB-CG2 4.46Å; I85-V214 HydrophobicContact CG2-CB 4.36Å; I85-V214 HydrophobicContact CG2-CG2 3.58Å; I85-H327 WeakPolarHBondContact O-CB 3.18Å; I85-H327 PolarHBondContact O-CD2 2.94Å
86	Y	93.3	Very high	94.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	164.9	175.1	46.8	-106.6	0	0	0	111.7	V88 V98 L183 Q187 H327	Y86-V88 HydrophobicContact CD2-CG2 3.33Å; Y86-V88 HydrophobicContact CE2-CG2 3.25Å; Y86-V98 HydrophobicContact CD2-CB 4.19Å; Y86-V98 HydrophobicContact CD2-CG2 3.86Å; Y86-V98 HydrophobicContact CE2-CB 4.01Å; Y86-V98 HydrophobicContact CE2-CG2 3.4Å; Y86-V98 VanDerWaalsContact CE2-CG2 3.4Å; Y86-V98 PolarHBondContact O-N 2.83Å; Y86-L183 HydrophobicContact CE2-CD2 4.41Å; Y86-Q187 PolarHBondContact OH-NE2 3.3Å; Y86-H327 CarbonylContact C-O 3.53Å; Y86-H327 WeakPolarHBondContact CA-O 3.26Å; Y86-H327 VanDerWaalsContact CB-O 3.23Å; Y86-H327 WeakPolarHBondContact CB-O 3.32Å
87	D	95.1	Very high	94.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.1	159.8	-82.6	-2.8	0	0	0	109.9	Y89 R95 I96 T97 R325 H327 N328 V329	D87-Y89 HydrophobicContact CB-CD2 4.44Å; D87-Y89 HydrophobicContact CB-CE2 3.62Å; D87-R95 HydrophobicContact CB-CG 4.33Å; D87-R95 WeakPolarHBondContact OD2-CD 3.48Å; D87-R95 IonicContact OD2-CZ 3.94Å; D87-R95 IonicContact OD2-NE 3.19Å; D87-R95 IonicContact OD2-NH1 3.61Å; D87-R95 PolarHBondContact OD2-NH1 3.04Å; D87-I96 WeakPolarHBondContact CA-O 3.44Å; D87-T97 VanDerWaalsContact OD1-CA 3.27Å; D87-T97 WeakPolarHBondContact OD1-CA 3.3Å; D87-T97 WeakPolarHBondContact OD1-CB 3.35Å; D87-T97 VanDerWaalsContact OD1-CG2 3.31Å; D87-T97 WeakPolarHBondContact OD1-CG2 3.32Å; D87-T97 PolarHBondContact OD1-OG1 3.42Å; D87-R325 HydrophobicContact CB-CB 4.45Å; D87-R325 HydrophobicContact CB-CG 4.06Å; D87-R325 WeakPolarHBondContact OD1-CG 3.34Å; D87-R325 VanDerWaalsContact OD2-CG 3.31Å; D87-R325 WeakPolarHBondContact OD2-CG 3.45Å; D87-H327 PolarHBondContact N-O 2.86Å; D87-N328 CarbonylContact O-C 3.48Å; D87-N328 VanDerWaalsContact O-CA 3.28Å; D87-N328 WeakPolarHBondContact O-CA 3.33Å; D87-V329 PolarHBondContact O-N 3.15Å
88	V	94.3	Very high	94	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	173.9	177.4	0	0	0	0	109.9	Y86 F90 R95 I96 L183 V329 F331	Y86-V88 HydrophobicContact CD2-CG2 3.33Å; Y86-V88 HydrophobicContact CE2-CG2 3.25Å; V88-F90 HydrophobicContact CG1-CD2 4.2Å; V88-F90 HydrophobicContact CG1-CE1 4.39Å; V88-F90 HydrophobicContact CG1-CE2 3.66Å; V88-F90 HydrophobicContact CG1-CZ 3.79Å; V88-R95 CarbonylContact O-C 3.52Å; V88-R95 VanDerWaalsContact O-CA 3.24Å; V88-R95 WeakPolarHBondContact O-CA 3.45Å; V88-I96 PolarHBondContact N-O 2.79Å; V88-I96 PolarHBondContact O-N 2.71Å; V88-L183 HydrophobicContact CB-CD2 3.78Å; V88-L183 HydrophobicContact CG1-CD2 3.86Å; V88-L183 HydrophobicContact CG2-CD2 3.38Å; V88-V329 CarbonylContact C-O 3.54Å; V88-V329 WeakPolarHBondContact CA-O 3.44Å; V88-V329 HydrophobicContact CG2-CB 4.36Å; V88-F331 HydrophobicContact CG1-CD2 3.41Å; V88-F331 VanDerWaalsContact CG1-CD2 3.41Å; V88-F331 HydrophobicContact CG1-CE2 3.33Å
89	Y	95.3	Very high	93.9	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.8	178.5	-61.1	-100	0	0	0	108.9	D87 R95 N328 V329 I330 F331 T409 I410	D87-Y89 HydrophobicContact CB-CD2 4.44Å; D87-Y89 HydrophobicContact CB-CE2 3.62Å; Y89-R95 HydrophobicContact CD1-CB 4.18Å; Y89-R95 HydrophobicContact CD1-CG 4.09Å; Y89-R95 HydrophobicContact CE1-CB 4.18Å; Y89-R95 VanDerWaalsContact CE1-CD 3.48Å; Y89-R95 HydrophobicContact CE1-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CG 4.38Å; Y89-R95 VanDerWaalsContact CZ-CD 3.47Å; Y89-R95 WeakPolarHBondContact OH-CD 3.4Å; Y89-N328 HydrophobicContact CE2-CB 4.1Å; Y89-V329 PolarHBondContact N-O 3.36Å; Y89-I330 HydrophobicContact CD2-CG1 4.3Å; Y89-I330 HydrophobicContact CG-CG1 4.42Å; Y89-F331 PolarHBondContact O-N 3.2Å; Y89-T409 HydrophobicContact CD1-CG2 4.44Å; Y89-I410 HydrophobicContact CD1-CG1 4.18Å; Y89-I410 HydrophobicContact CD2-CD1 4.34Å; Y89-I410 HydrophobicContact CD2-CG1 4.18Å; Y89-I410 HydrophobicContact CE1-CB 4.4Å; Y89-I410 HydrophobicContact CE1-CG1 3.92Å; Y89-I410 HydrophobicContact CE1-CG2 4.37Å; Y89-I410 HydrophobicContact CE2-CD1 3.94Å; Y89-I410 HydrophobicContact CE2-CG1 3.94Å; Y89-I410 HydrophobicContact CG-CG1 4.31Å
90	F	92	Very high	93.7	Very high	27 Å²	27	52.4 Å²	52.4	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-29.8	168.9	-63.2	-81.6	0	0	0	111.3	V88 D94 I96 K179 K182 L183 F331	V88-F90 HydrophobicContact CG1-CD2 4.2Å; V88-F90 HydrophobicContact CG1-CE1 4.39Å; V88-F90 HydrophobicContact CG1-CE2 3.66Å; V88-F90 HydrophobicContact CG1-CZ 3.79Å; F90-D94 HydrophobicContact CB-CB 4.21Å; F90-D94 PolarHBondContact N-O 2.77Å; F90-I96 HydrophobicContact CD2-CD1 4.47Å; F90-I96 HydrophobicContact CE2-CD1 3.7Å; F90-I96 HydrophobicContact CE2-CG1 4.12Å; F90-K179 HydrophobicContact CD2-CD 4.41Å; F90-K179 HydrophobicContact CE2-CB 4.36Å; F90-K179 HydrophobicContact CE2-CD 4.25Å; F90-K179 HydrophobicContact CE2-CG 4.3Å; F90-K179 HydrophobicContact CZ-CB 4.12Å; F90-K179 HydrophobicContact CZ-CG 4.23Å; F90-K182 HydrophobicContact CD1-CD 4.48Å; F90-K182 HydrophobicContact CE1-CB 4.11Å; F90-K182 HydrophobicContact CE1-CD 3.84Å; F90-K182 HydrophobicContact CZ-CB 4.44Å; F90-L183 HydrophobicContact CZ-CD2 4.46Å; F90-F331 HydrophobicContact CD1-CB 4.24Å; F90-F331 HydrophobicContact CD1-CD2 4.1Å; F90-F331 HydrophobicContact CD1-CG 4.32Å; F90-F331 AromaticContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CE2 4.04Å; F90-F331 HydrophobicContact CE1-CG 4.18Å; F90-F331 HydrophobicContact CZ-CD2 4.25Å; F90-F331 HydrophobicContact CZ-CE2 4.23Å
91	D	91.6	Very high	93.6	Very high	102 Å²	102	49.6 Å²	49.6	55%	0.545	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	178	171.7	-163.1	0.1	0	0	0	108.3	D93 D94 T409	D91-D93 VanDerWaalsContact C-N 3.27Å; D91-D93 PolarHBondContact O-N 2.87Å; D91-D94 HydrophobicContact CB-CB 4.19Å; D91-D94 PolarHBondContact O-N 2.84Å; D91-D94 VanDerWaalsContact O-N 3.17Å; D91-T409 VanDerWaalsContact C-CG2 3.48Å
92	H	90.9	Very high	93.3	Very high	74 Å²	74	49 Å²	49	34%	0.343	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.8	-178.6	-178.7	-86.8	0	0	0	112.7
93	D	91.9	Very high	93.1	Very high	147 Å²	147	50 Å²	50	79%	0.786	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.8	-177.6	-59.3	-32.6	0	0	0	113.3	D91	D91-D93 VanDerWaalsContact C-N 3.27Å; D91-D93 PolarHBondContact O-N 2.87Å
94	D	92.7	Very high	93.2	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	82.3	-174.4	-167.7	-1.9	0	0	0	111	F90 D91 K179	F90-D94 HydrophobicContact CB-CB 4.21Å; F90-D94 PolarHBondContact N-O 2.77Å; D91-D94 HydrophobicContact CB-CB 4.19Å; D91-D94 PolarHBondContact O-N 2.84Å; D91-D94 VanDerWaalsContact O-N 3.17Å; D94-K179 IonicContact OD1-NZ 2.68Å; D94-K179 PolarHBondContact OD1-NZ 3.17Å; D94-K179 VanDerWaalsContact OD2-CE 3.24Å; D94-K179 WeakPolarHBondContact OD2-CE 3.36Å; D94-K179 IonicContact OD2-NZ 3.67Å; D94-K179 PolarHBondContact OD2-NZ 3.48Å
95	R	94.2	Very high	93.1	Very high	119 Å²	119	42.9 Å²	42.9	45%	0.449	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.8	-178.6	-174.5	-175.6	68.9	162.2	-17.5	112.2	D87 V88 Y89	D87-R95 HydrophobicContact CB-CG 4.33Å; D87-R95 WeakPolarHBondContact OD2-CD 3.48Å; D87-R95 IonicContact OD2-CZ 3.94Å; D87-R95 IonicContact OD2-NE 3.19Å; D87-R95 IonicContact OD2-NH1 3.61Å; D87-R95 PolarHBondContact OD2-NH1 3.04Å; V88-R95 CarbonylContact O-C 3.52Å; V88-R95 VanDerWaalsContact O-CA 3.24Å; V88-R95 WeakPolarHBondContact O-CA 3.45Å; Y89-R95 HydrophobicContact CD1-CB 4.18Å; Y89-R95 HydrophobicContact CD1-CG 4.09Å; Y89-R95 HydrophobicContact CE1-CB 4.18Å; Y89-R95 VanDerWaalsContact CE1-CD 3.48Å; Y89-R95 HydrophobicContact CE1-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CG 4.38Å; Y89-R95 VanDerWaalsContact CZ-CD 3.47Å; Y89-R95 WeakPolarHBondContact OH-CD 3.4Å
96	I	94.2	Very high	93.1	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.5	171.1	-54.3	-174.2	0	0	0	109.7	D87 V88 F90 V98 M108 I112 K179 L183	D87-I96 WeakPolarHBondContact CA-O 3.44Å; V88-I96 PolarHBondContact N-O 2.79Å; V88-I96 PolarHBondContact O-N 2.71Å; F90-I96 HydrophobicContact CD2-CD1 4.47Å; F90-I96 HydrophobicContact CE2-CD1 3.7Å; F90-I96 HydrophobicContact CE2-CG1 4.12Å; I96-V98 HydrophobicContact CG2-CG2 4.49Å; I96-M108 HydrophobicContact CG2-CE 4.41Å; I96-M108 HydrophobicContact CG2-CG 3.91Å; I96-M108 HydrophobicContact CG2-SD 3.54Å; I96-M108 VanDerWaalsContact CG2-SD 3.54Å; I96-I112 HydrophobicContact CD1-CD1 3.73Å; I96-I112 HydrophobicContact CD1-CG1 4.1Å; I96-I112 HydrophobicContact CG2-CD1 4.24Å; I96-K179 HydrophobicContact CD1-CB 4.42Å; I96-K179 HydrophobicContact CD1-CD 4.23Å; I96-L183 HydrophobicContact CD1-CD1 4.27Å; I96-L183 HydrophobicContact CG2-CD1 4.25Å
97	T	94.9	Very high	93.2	Very high	34 Å²	34	54.1 Å²	54.1	21%	0.209	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.7	170.6	-61.9	0	0	0	0	109.4	Y84 D87 P99	Y84-T97 HydrophobicContact CD1-CG2 3.33Å; Y84-T97 HydrophobicContact CE1-CG2 3.7Å; Y84-T97 HydrophobicContact CG-CG2 3.81Å; D87-T97 VanDerWaalsContact OD1-CA 3.27Å; D87-T97 WeakPolarHBondContact OD1-CA 3.3Å; D87-T97 WeakPolarHBondContact OD1-CB 3.35Å; D87-T97 VanDerWaalsContact OD1-CG2 3.31Å; D87-T97 WeakPolarHBondContact OD1-CG2 3.32Å; D87-T97 PolarHBondContact OD1-OG1 3.42Å; T97-P99 VanDerWaalsContact O-CD 3.31Å; T97-P99 WeakPolarHBondContact O-CD 3.23Å
98	V	93.9	Very high	93.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.5	179	-176.9	0	0	0	0	110.3	Y84 I85 Y86 I96 L105 M108 L183 M210	Y84-V98 CarbonylContact C-O 3.58Å; Y84-V98 WeakPolarHBondContact CA-O 3.27Å; I85-V98 HydrophobicContact CB-CB 4.38Å; I85-V98 HydrophobicContact CB-CG1 4.16Å; I85-V98 HydrophobicContact CD1-CG1 3.98Å; I85-V98 HydrophobicContact CG1-CG1 4.32Å; I85-V98 PolarHBondContact N-O 2.74Å; Y86-V98 HydrophobicContact CD2-CB 4.19Å; Y86-V98 HydrophobicContact CD2-CG2 3.86Å; Y86-V98 HydrophobicContact CE2-CB 4.01Å; Y86-V98 HydrophobicContact CE2-CG2 3.4Å; Y86-V98 VanDerWaalsContact CE2-CG2 3.4Å; Y86-V98 PolarHBondContact O-N 2.83Å; I96-V98 HydrophobicContact CG2-CG2 4.49Å; V98-L105 HydrophobicContact CG1-CD1 4.47Å; V98-M108 HydrophobicContact CB-SD 4.38Å; V98-M108 HydrophobicContact CG2-SD 4.08Å; V98-L183 HydrophobicContact CG2-CD2 4.4Å; V98-M210 HydrophobicContact CG1-CE 3.65Å; V98-M210 HydrophobicContact CG1-SD 3.96Å
99	P	94.6	Very high	93.3	Very high	4 Å²	4	55 Å²	55	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	155.1	179.6	35.1	-34.9	0	0	0	112.4	Y84 T97 E104 L105	Y84-P99 HydrophobicContact CD1-CB 4.08Å; Y84-P99 HydrophobicContact CE1-CB 4.24Å; T97-P99 VanDerWaalsContact O-CD 3.31Å; T97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-E104 HydrophobicContact CB-CB 3.59Å; P99-E104 VanDerWaalsContact CG-C 3.43Å; P99-E104 HydrophobicContact CG-CB 3.61Å; P99-L105 VanDerWaalsContact CG-CA 3.47Å; P99-L105 HydrophobicContact CG-CB 3.97Å; P99-L105 HydrophobicContact CG-CD1 4.47Å
100	T	92.5	Very high	93.2	Very high	24 Å²	24	57.7 Å²	57.7	15%	0.147	29%	0.293	C	S	.	.	S	Bend	trans	-80.8	-28.7	169.5	-57.3	0	0	0	0	111.6	Q81 L82 R83	Q81-T100 HydrophobicContact CG-CG2 4.18Å; L82-T100 WeakPolarHBondContact O-CB 3.43Å; L82-T100 PolarHBondContact O-OG1 3.06Å; R83-T100 WeakPolarHBondContact O-CB 3.49Å; R83-T100 PolarHBondContact O-N 3.28Å; R83-T100 PolarHBondContact O-OG1 3.47Å
101	D	92.2	Very high	93.4	Very high	83 Å²	83	61 Å²	61	44%	0.444	32%	0.319	S	S	.	.	S	Bend	trans	-73.6	132.5	178.9	178.6	-94.8	0	0	0	111.4	A103 E104 L105	D101-A103 VanDerWaalsContact C-N 3.34Å; D101-A103 PolarHBondContact O-N 3Å; D101-A103 WeakPolarHBondContact OD1-CA 3.42Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.31Å; D101-A103 PolarHBondContact OD1-N 3.26Å; D101-E104 HydrophobicContact CB-CB 4.19Å; D101-E104 HydrophobicContact CB-CG 4.18Å; D101-E104 PolarHBondContact O-N 3.38Å; D101-E104 PolarHBondContact OD1-N 2.82Å; D101-L105 WeakPolarHBondContact O-CB 3.25Å; D101-L105 PolarHBondContact O-N 3.04Å
102	L	88.8	Confident	93.5	Very high	100 Å²	100	58 Å²	58	52%	0.524	30%	0.303	S	S	.	.	H	α-helix	trans	-67.4	-32.7	-174.5	-168.5	66	0	0	0	113	L105 Q106 M121	L102-L105 HydrophobicContact CD1-CD2 4.31Å; L102-L105 PolarHBondContact O-N 2.85Å; L102-Q106 WeakPolarHBondContact O-CB 3.43Å; L102-Q106 PolarHBondContact O-N 2.86Å; L102-M121 HydrophobicContact CD1-CE 3.41Å; L102-M121 VanDerWaalsContact CD1-CE 3.41Å; L102-M121 HydrophobicContact CD1-SD 4.03Å; L102-M121 HydrophobicContact CG-CE 4.14Å
103	A	92.2	Very high	93.6	Very high	51 Å²	51	57.2 Å²	57.2	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-75.4	-40.3	179.1	0	0	0	0	0	111	D101 L105 Q106 Q107	D101-A103 VanDerWaalsContact C-N 3.34Å; D101-A103 PolarHBondContact O-N 3Å; D101-A103 WeakPolarHBondContact OD1-CA 3.42Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.31Å; D101-A103 PolarHBondContact OD1-N 3.26Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-Q106 PolarHBondContact O-N 2.8Å; A103-Q107 WeakPolarHBondContact O-CG 3.17Å; A103-Q107 PolarHBondContact O-N 2.91Å; A103-Q107 VanDerWaalsContact O-N 3.13Å
104	E	94.9	Very high	93.7	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-40.1	169.1	-66.6	-171.4	-174.7	0	0	110.7	R83 P99 D101 Q106 Q107 M108	R83-E104 IonicContact CZ-OE1 2.75Å; R83-E104 IonicContact NE-OE1 2.75Å; R83-E104 IonicContact NE-OE2 2.58Å; R83-E104 IonicContact NH2-OE1 2.87Å; R83-E104 PolarHBondContact NH2-OE1 2.89Å; R83-E104 IonicContact NH2-OE2 3.01Å; P99-E104 HydrophobicContact CB-CB 3.59Å; P99-E104 VanDerWaalsContact CG-C 3.43Å; P99-E104 HydrophobicContact CG-CB 3.61Å; D101-E104 HydrophobicContact CB-CB 4.19Å; D101-E104 HydrophobicContact CB-CG 4.18Å; D101-E104 PolarHBondContact O-N 3.38Å; D101-E104 PolarHBondContact OD1-N 2.82Å; E104-Q106 PolarHBondContact O-N 3.35Å; E104-Q107 PolarHBondContact O-N 3.18Å; E104-M108 PolarHBondContact O-N 3.26Å
105	L	93	Very high	93.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-43.3	178.6	-178.6	62.8	0	0	0	111.7	V98 P99 D101 L102 A103 Q107 M108 L109 F120 M210	V98-L105 HydrophobicContact CG1-CD1 4.47Å; P99-L105 VanDerWaalsContact CG-CA 3.47Å; P99-L105 HydrophobicContact CG-CB 3.97Å; P99-L105 HydrophobicContact CG-CD1 4.47Å; D101-L105 WeakPolarHBondContact O-CB 3.25Å; D101-L105 PolarHBondContact O-N 3.04Å; L102-L105 HydrophobicContact CD1-CD2 4.31Å; L102-L105 PolarHBondContact O-N 2.85Å; A103-L105 VanDerWaalsContact C-N 3.32Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.23Å; L105-M108 HydrophobicContact CD1-CE 3.6Å; L105-M108 HydrophobicContact CD1-SD 4.34Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.08Å; L105-L109 HydrophobicContact CD1-CD1 4.45Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.93Å; L105-F120 HydrophobicContact CD2-CE1 3.85Å; L105-F120 HydrophobicContact CD2-CZ 4.46Å; L105-M210 HydrophobicContact CD1-SD 4.14Å; L105-M210 HydrophobicContact CD2-SD 4.07Å
106	Q	93.7	Very high	93.6	Very high	98 Å²	98	50 Å²	50	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-48.5	172.5	172.5	179.3	-6.8	0	0	111	L102 A103 E104 M108 L109 E110 T117	L102-Q106 WeakPolarHBondContact O-CB 3.43Å; L102-Q106 PolarHBondContact O-N 2.86Å; A103-Q106 PolarHBondContact O-N 2.8Å; E104-Q106 PolarHBondContact O-N 3.35Å; Q106-M108 VanDerWaalsContact C-N 3.3Å; Q106-M108 PolarHBondContact O-N 3.06Å; Q106-L109 PolarHBondContact O-N 3.5Å; Q106-E110 HydrophobicContact CG-CG 4.31Å; Q106-E110 WeakPolarHBondContact O-CB 3.4Å; Q106-E110 VanDerWaalsContact O-CG 3.3Å; Q106-E110 WeakPolarHBondContact O-CG 3.24Å; Q106-E110 PolarHBondContact O-N 3.29Å; Q106-T117 HydrophobicContact CB-CG2 4.3Å; Q106-T117 HydrophobicContact CG-CG2 3.94Å
107	Q	95.4	Very high	93.5	Very high	141 Å²	141	50.1 Å²	50.1	66%	0.659	29%	0.289	S	S	*	.	H	α-helix	trans	-61.6	-40.3	179.1	-69.4	173.5	19.2	0	0	112	A103 E104 L105 S111	A103-Q107 WeakPolarHBondContact O-CG 3.17Å; A103-Q107 PolarHBondContact O-N 2.91Å; A103-Q107 VanDerWaalsContact O-N 3.13Å; E104-Q107 PolarHBondContact O-N 3.18Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.23Å; Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 3.11Å; Q107-S111 PolarHBondContact O-OG 3.24Å
108	M	95	Very high	93.4	Very high	20 Å²	20	55.6 Å²	55.6	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-52.3	175	-175.9	-156	77.8	0	0	110.7	I96 V98 E104 L105 Q106 E110 S111 I112 L183	I96-M108 HydrophobicContact CG2-CE 4.41Å; I96-M108 HydrophobicContact CG2-CG 3.91Å; I96-M108 HydrophobicContact CG2-SD 3.54Å; I96-M108 VanDerWaalsContact CG2-SD 3.54Å; V98-M108 HydrophobicContact CB-SD 4.38Å; V98-M108 HydrophobicContact CG2-SD 4.08Å; E104-M108 PolarHBondContact O-N 3.26Å; L105-M108 HydrophobicContact CD1-CE 3.6Å; L105-M108 HydrophobicContact CD1-SD 4.34Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.08Å; Q106-M108 VanDerWaalsContact C-N 3.3Å; Q106-M108 PolarHBondContact O-N 3.06Å; M108-E110 PolarHBondContact O-N 3.31Å; M108-S111 PolarHBondContact O-N 3.44Å; M108-S111 PolarHBondContact O-OG 3.29Å; M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.73Å; M108-L183 HydrophobicContact CE-CD1 4.38Å
109	L	94.7	Very high	93.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-47.8	-179.6	-68.5	168	0	0	0	112.1	L105 Q106 S111 I112 E113 S116 F120 I180	L105-L109 HydrophobicContact CD1-CD1 4.45Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.93Å; Q106-L109 PolarHBondContact O-N 3.5Å; L109-S111 PolarHBondContact O-N 2.86Å; L109-I112 PolarHBondContact O-N 3.11Å; L109-I112 VanDerWaalsContact O-N 3.09Å; L109-E113 PolarHBondContact O-N 2.98Å; L109-S116 PolarHBondContact O-OG 2.86Å; L109-S116 VanDerWaalsContact O-OG 3.1Å; L109-F120 HydrophobicContact CD1-CB 3.85Å; L109-F120 HydrophobicContact CD1-CD1 3.56Å; L109-F120 HydrophobicContact CD1-CD2 4.1Å; L109-F120 HydrophobicContact CD1-CE1 4.07Å; L109-F120 HydrophobicContact CD1-CG 3.57Å; L109-F120 HydrophobicContact CD2-CD2 3.88Å; L109-F120 HydrophobicContact CD2-CE2 4.17Å; L109-F120 HydrophobicContact CD2-CG 4.19Å; L109-I180 HydrophobicContact CD2-CD1 3.9Å; L109-I180 HydrophobicContact CD2-CG1 4.24Å; L109-I180 HydrophobicContact CD2-CG2 3.96Å
110	E	95.1	Very high	93.2	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-26	178.6	-67.3	-61.2	141.2	0	0	113.2	Q106 M108 P114 G115 T117	Q106-E110 HydrophobicContact CG-CG 4.31Å; Q106-E110 WeakPolarHBondContact O-CB 3.4Å; Q106-E110 VanDerWaalsContact O-CG 3.3Å; Q106-E110 WeakPolarHBondContact O-CG 3.24Å; Q106-E110 PolarHBondContact O-N 3.29Å; M108-E110 PolarHBondContact O-N 3.31Å; E110-P114 WeakPolarHBondContact OE2-CA 3.43Å; E110-G115 PolarHBondContact OE1-N 3.48Å; E110-G115 PolarHBondContact OE2-N 3.43Å; E110-T117 WeakPolarHBondContact CG-OG1 3.43Å; E110-T117 WeakPolarHBondContact OE1-CB 3.19Å; E110-T117 PolarHBondContact OE1-N 2.9Å; E110-T117 PolarHBondContact OE1-OG1 3.34Å
111	S	94.5	Very high	93.2	Very high	97 Å²	97	57.4 Å²	57.4	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-78.2	-24.8	175.3	71.2	0	0	0	0	113.5	Q107 M108 L109	Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 3.11Å; Q107-S111 PolarHBondContact O-OG 3.24Å; M108-S111 PolarHBondContact O-N 3.44Å; M108-S111 PolarHBondContact O-OG 3.29Å; L109-S111 PolarHBondContact O-N 2.86Å
112	I	93.5	Very high	93.1	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.205	31%	0.314	C	S	.	.	H	α-helix	trans	-80.5	-52	174.1	-61.2	160	0	0	0	110.2	I96 M108 L109 N177 K179 I180	I96-I112 HydrophobicContact CD1-CD1 3.73Å; I96-I112 HydrophobicContact CD1-CG1 4.1Å; I96-I112 HydrophobicContact CG2-CD1 4.24Å; M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.73Å; L109-I112 PolarHBondContact O-N 3.11Å; L109-I112 VanDerWaalsContact O-N 3.09Å; I112-N177 WeakPolarHBondContact CG2-OD1 3.44Å; I112-K179 HydrophobicContact CG2-CB 4.42Å; I112-I180 HydrophobicContact CB-CD1 4.41Å; I112-I180 HydrophobicContact CB-CG1 4.45Å; I112-I180 HydrophobicContact CD1-CG1 4.17Å; I112-I180 HydrophobicContact CG2-CD1 4.18Å; I112-I180 HydrophobicContact CG2-CG1 3.93Å
113	E	93.6	Very high	93.2	Very high	56 Å²	56	50.4 Å²	50.4	26%	0.262	29%	0.289	S	S	.	.	S	Bend	trans	-146.7	111.3	178.8	178.3	175.9	-113	0	0	109.5	L109 G115 S116 N177 I180	L109-E113 PolarHBondContact O-N 2.98Å; E113-G115 PolarHBondContact O-N 3.5Å; E113-S116 WeakPolarHBondContact O-CB 2.98Å; E113-S116 PolarHBondContact O-N 2.98Å; E113-S116 VanDerWaalsContact O-N 3.11Å; E113-S116 PolarHBondContact O-OG 3.4Å; E113-N177 HydrophobicContact CB-CB 4.06Å; E113-N177 HydrophobicContact CG-CB 4.5Å; E113-N177 VanDerWaalsContact OE2-CB 3.32Å; E113-N177 WeakPolarHBondContact OE2-CB 3.14Å; E113-N177 PolarHBondContact OE2-N 2.79Å; E113-I180 HydrophobicContact CB-CD1 4.5Å
114	P	93.7	Very high	93	Very high	110 Å²	110	48.5 Å²	48.5	71%	0.714	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	129.2	176	-27.5	35.6	0	0	0	112.3	E110	E110-P114 WeakPolarHBondContact OE2-CA 3.43Å
115	G	92.4	Very high	92.8	Very high	48 Å²	48	49.4 Å²	49.4	50%	0.495	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-7.8	-177.8	0	0	0	0	0	115.2	E110 E113 T117 H118	E110-G115 PolarHBondContact OE1-N 3.48Å; E110-G115 PolarHBondContact OE2-N 3.43Å; E113-G115 PolarHBondContact O-N 3.5Å; G115-T117 PolarHBondContact O-N 2.77Å; G115-H118 PolarHBondContact O-N 3.04Å
116	S	93.1	Very high	92.5	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-23	-178.7	62.6	0	0	0	0	113.7	L109 E113 H118 G119 F120	L109-S116 PolarHBondContact O-OG 2.86Å; L109-S116 VanDerWaalsContact O-OG 3.1Å; E113-S116 WeakPolarHBondContact O-CB 2.98Å; E113-S116 PolarHBondContact O-N 2.98Å; E113-S116 VanDerWaalsContact O-N 3.11Å; E113-S116 PolarHBondContact O-OG 3.4Å; S116-H118 VanDerWaalsContact C-N 3.28Å; S116-H118 PolarHBondContact O-N 3.4Å; S116-G119 PolarHBondContact O-N 2.99Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.2Å
117	T	92.9	Very high	92.2	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-41.8	-179.9	-58.6	0	0	0	0	112.1	Q106 E110 G115 G119 F120 M121	Q106-T117 HydrophobicContact CB-CG2 4.3Å; Q106-T117 HydrophobicContact CG-CG2 3.94Å; E110-T117 WeakPolarHBondContact CG-OG1 3.43Å; E110-T117 WeakPolarHBondContact OE1-CB 3.19Å; E110-T117 PolarHBondContact OE1-N 2.9Å; E110-T117 PolarHBondContact OE1-OG1 3.34Å; G115-T117 PolarHBondContact O-N 2.77Å; T117-G119 PolarHBondContact O-N 3.4Å; T117-F120 PolarHBondContact O-N 3.26Å; T117-M121 HydrophobicContact CG2-CE 4.03Å; T117-M121 HydrophobicContact CG2-CG 4.06Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.48Å; T117-M121 PolarHBondContact O-N 2.96Å
118	H	92.7	Very high	91.9	Very high	149 Å²	149	43.7 Å²	43.7	69%	0.69	25%	0.253	S	S	*	.	H	α-helix	trans	-64.3	-44.7	-177.3	179.7	67.8	0	0	0	112	G115 S116 S122	G115-H118 PolarHBondContact O-N 3.04Å; S116-H118 VanDerWaalsContact C-N 3.28Å; S116-H118 PolarHBondContact O-N 3.4Å; H118-S122 WeakPolarHBondContact O-CB 3.3Å; H118-S122 PolarHBondContact O-N 2.86Å; H118-S122 PolarHBondContact O-OG 3.1Å
119	G	92.3	Very high	91.6	Very high	15 Å²	15	48.9 Å²	48.9	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-48.3	175.5	0	0	0	0	0	111.5	S116 T117 M121 S122 F123 Y174	S116-G119 PolarHBondContact O-N 2.99Å; T117-G119 PolarHBondContact O-N 3.4Å; G119-M121 PolarHBondContact O-N 3.3Å; G119-S122 WeakPolarHBondContact O-CB 3.4Å; G119-S122 PolarHBondContact O-N 3.01Å; G119-F123 PolarHBondContact O-N 2.84Å; G119-Y174 CarbonylContact C-O 3.58Å; G119-Y174 WeakPolarHBondContact CA-O 3.38Å
120	F	91.4	Very high	91.3	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-47.6	178.2	-168.8	-89.8	0	0	0	113.2	L105 L109 S116 T117 S122 F123 L124 I175 I180 L184 M210	L105-F120 HydrophobicContact CD2-CE1 3.85Å; L105-F120 HydrophobicContact CD2-CZ 4.46Å; L109-F120 HydrophobicContact CD1-CB 3.85Å; L109-F120 HydrophobicContact CD1-CD1 3.56Å; L109-F120 HydrophobicContact CD1-CD2 4.1Å; L109-F120 HydrophobicContact CD1-CE1 4.07Å; L109-F120 HydrophobicContact CD1-CG 3.57Å; L109-F120 HydrophobicContact CD2-CD2 3.88Å; L109-F120 HydrophobicContact CD2-CE2 4.17Å; L109-F120 HydrophobicContact CD2-CG 4.19Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.2Å; T117-F120 PolarHBondContact O-N 3.26Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.42Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.92Å; F120-L124 HydrophobicContact CD1-CD1 3.9Å; F120-L124 HydrophobicContact CD1-CG 4.14Å; F120-L124 HydrophobicContact CE1-CD1 3.54Å; F120-L124 HydrophobicContact CE1-CD2 4.34Å; F120-L124 HydrophobicContact CE1-CG 3.94Å; F120-L124 HydrophobicContact CZ-CD1 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.41Å; F120-L124 PolarHBondContact O-N 3.22Å; F120-I175 HydrophobicContact CB-CD1 4.44Å; F120-I175 HydrophobicContact CD2-CD1 3.75Å; F120-I180 HydrophobicContact CD2-CG2 3.88Å; F120-I180 HydrophobicContact CE2-CG2 4.19Å; F120-L184 HydrophobicContact CD2-CD1 4.28Å; F120-L184 HydrophobicContact CE2-CD1 4Å; F120-L184 HydrophobicContact CE2-CD2 3.79Å; F120-L184 HydrophobicContact CE2-CG 4.13Å; F120-L184 HydrophobicContact CZ-CD2 4.2Å; F120-M210 HydrophobicContact CZ-CE 4.48Å; F120-M210 HydrophobicContact CZ-CG 4.05Å; F120-M210 HydrophobicContact CZ-SD 4.04Å
121	M	91.4	Very high	90.9	Very high	47 Å²	47	46.9 Å²	46.9	23%	0.232	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-34.3	178.1	-65.3	-58.3	167.8	0	0	112.4	L102 T117 G119 L124 T125	L102-M121 HydrophobicContact CD1-CE 3.41Å; L102-M121 VanDerWaalsContact CD1-CE 3.41Å; L102-M121 HydrophobicContact CD1-SD 4.03Å; L102-M121 HydrophobicContact CG-CE 4.14Å; T117-M121 HydrophobicContact CG2-CE 4.03Å; T117-M121 HydrophobicContact CG2-CG 4.06Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.48Å; T117-M121 PolarHBondContact O-N 2.96Å; G119-M121 PolarHBondContact O-N 3.3Å; M121-L124 PolarHBondContact O-N 2.77Å; M121-L124 HydrophobicContact SD-CD1 4.22Å; M121-T125 WeakPolarHBondContact O-CB 3.43Å; M121-T125 PolarHBondContact O-N 3.13Å; M121-T125 PolarHBondContact O-OG1 3.39Å
122	S	91.5	Very high	90.6	Very high	36 Å²	36	45.2 Å²	45.2	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-41.9	175.2	-62.7	0	0	0	0	111.4	H118 G119 F120 T125 D126	H118-S122 WeakPolarHBondContact O-CB 3.3Å; H118-S122 PolarHBondContact O-N 2.86Å; H118-S122 PolarHBondContact O-OG 3.1Å; G119-S122 WeakPolarHBondContact O-CB 3.4Å; G119-S122 PolarHBondContact O-N 3.01Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.42Å; S122-T125 PolarHBondContact O-N 2.85Å; S122-D126 PolarHBondContact O-N 2.85Å
123	F	89.8	Confident	90.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-53.8	171.6	167.6	-97.9	0	0	0	111.2	G119 F120 T125 D126 V127 L170 I171 Y174 L184	G119-F123 PolarHBondContact O-N 2.84Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.92Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.45Å; F123-D126 PolarHBondContact O-N 2.79Å; F123-V127 HydrophobicContact CD1-CG2 4.49Å; F123-V127 HydrophobicContact CD2-CG2 3.98Å; F123-V127 HydrophobicContact CE1-CG2 4.23Å; F123-V127 HydrophobicContact CE2-CG2 3.71Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.86Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.41Å; F123-V127 PolarHBondContact O-N 3.25Å; F123-L170 HydrophobicContact CD2-CG 4.42Å; F123-L170 HydrophobicContact CE2-CD2 4.28Å; F123-L170 HydrophobicContact CE2-CG 4.2Å; F123-I171 HydrophobicContact CD2-CG1 4.48Å; F123-I171 HydrophobicContact CE2-CB 4.43Å; F123-I171 HydrophobicContact CE2-CG1 3.58Å; F123-I171 HydrophobicContact CZ-CG1 3.78Å; F123-Y174 HydrophobicContact CB-CD1 4.42Å; F123-Y174 HydrophobicContact CB-CD2 3.85Å; F123-Y174 HydrophobicContact CB-CG 3.76Å; F123-Y174 AromaticContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CG-CD2 4.4Å; F123-L184 HydrophobicContact CD1-CD1 4.17Å; F123-L184 HydrophobicContact CE1-CD1 3.88Å; F123-L184 HydrophobicContact CE1-CD2 3.96Å; F123-L184 HydrophobicContact CZ-CD1 4.27Å
124	L	89.3	Confident	90.1	Very high	10 Å²	10	42 Å²	42	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-42.7	178.9	-70	-175	0	0	0	111.9	F120 M121 V127 Y128 M207 M210	F120-L124 HydrophobicContact CD1-CD1 3.9Å; F120-L124 HydrophobicContact CD1-CG 4.14Å; F120-L124 HydrophobicContact CE1-CD1 3.54Å; F120-L124 HydrophobicContact CE1-CD2 4.34Å; F120-L124 HydrophobicContact CE1-CG 3.94Å; F120-L124 HydrophobicContact CZ-CD1 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.41Å; F120-L124 PolarHBondContact O-N 3.22Å; M121-L124 PolarHBondContact O-N 2.77Å; M121-L124 HydrophobicContact SD-CD1 4.22Å; L124-V127 PolarHBondContact O-N 3.23Å; L124-Y128 VanDerWaalsContact O-CB 3.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.24Å; L124-Y128 PolarHBondContact O-N 2.68Å; L124-M207 HydrophobicContact CD2-CB 3.97Å; L124-M207 HydrophobicContact CD2-CG 4.13Å; L124-M210 HydrophobicContact CD1-CB 4.24Å; L124-M210 HydrophobicContact CD2-CB 4.15Å
125	T	89.5	Confident	89.8	Confident	75 Å²	75	40 Å²	40	46%	0.46	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-42.9	179.8	-60.1	0	0	0	0	112.6	M121 S122 F123 K129	M121-T125 WeakPolarHBondContact O-CB 3.43Å; M121-T125 PolarHBondContact O-N 3.13Å; M121-T125 PolarHBondContact O-OG1 3.39Å; S122-T125 PolarHBondContact O-N 2.85Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.45Å; T125-K129 WeakPolarHBondContact O-CG 3.31Å; T125-K129 PolarHBondContact O-N 2.83Å
126	D	88	Confident	89.5	Confident	39 Å²	39	44.7 Å²	44.7	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-43.6	177.1	-175	52.6	0	0	0	111.2	S122 F123 K129 K130 Y174	S122-D126 PolarHBondContact O-N 2.85Å; F123-D126 PolarHBondContact O-N 2.79Å; D126-K129 PolarHBondContact O-N 3.24Å; D126-K130 PolarHBondContact O-N 3.44Å; D126-K130 VanDerWaalsContact OD2-CE 3.3Å; D126-K130 WeakPolarHBondContact OD2-CE 3.49Å; D126-K130 IonicContact OD2-NZ 2.73Å; D126-K130 PolarHBondContact OD2-NZ 2.62Å; D126-Y174 HydrophobicContact CB-CE2 4.47Å
127	V	87.1	Confident	89.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-39.2	177.3	177.8	0	0	0	0	111.8	F123 L124 K129 K130 Y131 L170 S203 I204 M207	F123-V127 HydrophobicContact CD1-CG2 4.49Å; F123-V127 HydrophobicContact CD2-CG2 3.98Å; F123-V127 HydrophobicContact CE1-CG2 4.23Å; F123-V127 HydrophobicContact CE2-CG2 3.71Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.86Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.41Å; F123-V127 PolarHBondContact O-N 3.25Å; L124-V127 PolarHBondContact O-N 3.23Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.92Å; V127-K130 CarbonylContact O-C 3.53Å; V127-K130 WeakPolarHBondContact O-CB 3.08Å; V127-K130 PolarHBondContact O-N 2.56Å; V127-K130 VanDerWaalsContact O-N 3.12Å; V127-Y131 PolarHBondContact O-N 3.27Å; V127-L170 HydrophobicContact CG2-CD2 4.13Å; V127-S203 WeakPolarHBondContact CG1-O 3.11Å; V127-S203 WeakPolarHBondContact CG2-OG 3.49Å; V127-I204 HydrophobicContact CG1-CB 4.34Å; V127-I204 HydrophobicContact CG1-CG1 3.85Å; V127-M207 HydrophobicContact CB-CB 4.04Å; V127-M207 HydrophobicContact CB-CG 4.16Å; V127-M207 HydrophobicContact CG1-CB 3.5Å; V127-M207 VanDerWaalsContact CG1-CB 3.5Å; V127-M207 HydrophobicContact CG1-CE 4.24Å; V127-M207 HydrophobicContact CG1-CG 3.94Å
128	Y	89.1	Confident	89	Confident	81 Å²	81	46.2 Å²	46.2	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-41.2	176.4	-176	-96.4	0	0	0	112.2	L124 K130 Y131 E132 M207 M211 F212	L124-Y128 VanDerWaalsContact O-CB 3.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.24Å; L124-Y128 PolarHBondContact O-N 2.68Å; Y128-K130 VanDerWaalsContact C-N 3.32Å; Y128-K130 PolarHBondContact O-N 2.95Å; Y128-Y131 HydrophobicContact CD2-CD1 4.29Å; Y128-Y131 HydrophobicContact CE2-CD1 4.29Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 3.13Å; Y128-E132 HydrophobicContact CD1-CG 4.3Å; Y128-E132 HydrophobicContact CE1-CG 3.78Å; Y128-E132 PolarHBondContact O-N 2.96Å; Y128-M207 HydrophobicContact CD2-CE 4.35Å; Y128-M207 HydrophobicContact CD2-SD 3.74Å; Y128-M207 HydrophobicContact CG-SD 4.45Å; Y128-M211 HydrophobicContact CD2-CE 3.5Å; Y128-M211 HydrophobicContact CD2-SD 3.57Å; Y128-M211 VanDerWaalsContact CD2-SD 3.57Å; Y128-M211 HydrophobicContact CE2-CE 3.78Å; Y128-M211 HydrophobicContact CE2-SD 4.37Å; Y128-M211 HydrophobicContact CG-CE 4.09Å; Y128-M211 HydrophobicContact CG-SD 4.08Å; Y128-F212 HydrophobicContact CE2-CZ 4.19Å
129	K	88	Confident	88.7	Confident	128 Å²	128	41 Å²	41	56%	0.557	19%	0.192	S	C	*	.	H	α-helix	trans	-61.5	-41.5	174.5	-69.7	169.9	-175.1	169.4	0	111.5	T125 D126 V127 I133	T125-K129 WeakPolarHBondContact O-CG 3.31Å; T125-K129 PolarHBondContact O-N 2.83Å; D126-K129 PolarHBondContact O-N 3.24Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.92Å; K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.92Å
130	K	88.1	Confident	88.5	Confident	10 Å²	10	44.2 Å²	44.2	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-41.3	175.3	-68.4	165.4	174.2	160.4	0	111.1	D126 V127 Y128 I133 A134 L161	D126-K130 PolarHBondContact O-N 3.44Å; D126-K130 VanDerWaalsContact OD2-CE 3.3Å; D126-K130 WeakPolarHBondContact OD2-CE 3.49Å; D126-K130 IonicContact OD2-NZ 2.73Å; D126-K130 PolarHBondContact OD2-NZ 2.62Å; V127-K130 CarbonylContact O-C 3.53Å; V127-K130 WeakPolarHBondContact O-CB 3.08Å; V127-K130 PolarHBondContact O-N 2.56Å; V127-K130 VanDerWaalsContact O-N 3.12Å; Y128-K130 VanDerWaalsContact C-N 3.32Å; Y128-K130 PolarHBondContact O-N 2.95Å; K130-I133 PolarHBondContact O-N 2.89Å; K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 3.04Å; K130-L161 HydrophobicContact CB-CD2 4.01Å; K130-L161 HydrophobicContact CG-CD2 4.49Å; K130-L161 WeakPolarHBondContact O-CD2 3.35Å
131	Y	87.5	Confident	88.3	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-48.6	176.2	166.3	-111.6	0	0	0	113.1	M58 V127 Y128 I133 A134 R135 I204 M207 I208	M58-Y131 HydrophobicContact CE-CE2 4.38Å; M58-Y131 WeakPolarHBondContact CE-OH 3.44Å; V127-Y131 PolarHBondContact O-N 3.27Å; Y128-Y131 HydrophobicContact CD2-CD1 4.29Å; Y128-Y131 HydrophobicContact CE2-CD1 4.29Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 3.13Å; Y131-I133 PolarHBondContact O-N 3.02Å; Y131-A134 PolarHBondContact O-N 2.83Å; Y131-A134 VanDerWaalsContact O-N 3.13Å; Y131-R135 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R135 HydrophobicContact CE2-CB 4.26Å; Y131-R135 WeakPolarHBondContact O-CB 3.34Å; Y131-R135 PolarHBondContact O-N 2.83Å; Y131-R135 PolarHBondContact OH-NH1 3.23Å; Y131-I204 HydrophobicContact CD2-CD1 4.4Å; Y131-I204 HydrophobicContact CD2-CG2 3.52Å; Y131-I204 HydrophobicContact CE2-CG2 4.33Å; Y131-I204 HydrophobicContact CG-CG2 4.07Å; Y131-M207 HydrophobicContact CD1-CE 3.84Å; Y131-M207 HydrophobicContact CD2-CE 4.32Å; Y131-M207 HydrophobicContact CG-CE 3.59Å; Y131-I208 HydrophobicContact CD2-CD1 4.39Å; Y131-I208 HydrophobicContact CE2-CD1 4.09Å
132	E	88.5	Confident	88.2	Confident	62 Å²	62	49 Å²	49	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-38.5	177.9	-78.7	-67.2	118.5	0	0	111.9	Y128 R135 R136	Y128-E132 HydrophobicContact CD1-CG 4.3Å; Y128-E132 HydrophobicContact CE1-CG 3.78Å; Y128-E132 PolarHBondContact O-N 2.96Å; E132-R135 IonicContact OE1-CZ 4Å; E132-R135 VanDerWaalsContact OE1-CZ 3.3Å; E132-R135 IonicContact OE1-NH1 3.96Å; E132-R135 PolarHBondContact OE1-NH1 2.73Å; E132-R135 IonicContact OE1-NH2 2.71Å; E132-R135 PolarHBondContact OE1-NH2 3.01Å; E132-R135 IonicContact OE2-NH2 3.65Å; E132-R135 PolarHBondContact OE2-NH2 3.16Å; E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å
133	I	88.5	Confident	88.1	Confident	27 Å²	27	47.4 Å²	47.4	14%	0.138	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-49.5	174.9	-66	171.1	0	0	0	110.6	K129 K130 Y131 R135 Y137 F138 Q157 K160 L161	K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.92Å; K130-I133 PolarHBondContact O-N 2.89Å; Y131-I133 PolarHBondContact O-N 3.02Å; I133-R135 PolarHBondContact O-N 3.36Å; I133-Y137 HydrophobicContact CG2-CD2 4.07Å; I133-Y137 WeakPolarHBondContact O-CB 3.14Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.31Å; I133-F138 HydrophobicContact CG2-CE2 4.3Å; I133-Q157 HydrophobicContact CG2-CB 3.81Å; I133-K160 HydrophobicContact CD1-CB 3.82Å; I133-K160 HydrophobicContact CD1-CD 4.09Å; I133-L161 HydrophobicContact CB-CD2 3.79Å; I133-L161 HydrophobicContact CG2-CD1 4.42Å; I133-L161 HydrophobicContact CG2-CD2 3.68Å; I133-L161 HydrophobicContact CG2-CG 3.89Å
134	A	87.3	Confident	88	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-48.7	-179	0	0	0	0	0	111.4	K130 Y131 F138 L139 L161 L201 I204	K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 3.04Å; Y131-A134 PolarHBondContact O-N 2.83Å; Y131-A134 VanDerWaalsContact O-N 3.13Å; A134-F138 CarbonylContact O-C 3.54Å; A134-F138 WeakPolarHBondContact O-CA 3.42Å; A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.29Å; A134-F138 PolarHBondContact O-N 2.69Å; A134-L139 PolarHBondContact O-N 3.39Å; A134-L161 HydrophobicContact CB-CD2 4.2Å; A134-L201 HydrophobicContact CB-CD1 3.83Å; A134-I204 HydrophobicContact CB-CD1 4.15Å
135	R	86.9	Confident	88	Confident	67 Å²	67	56.6 Å²	56.6	25%	0.253	25%	0.247	S	C	.	.	I	π-helix	trans	-57.7	-57.8	178.6	-169.6	179.5	82.6	-124.6	-7.3	111.2	Y131 E132 I133 L139 E140	Y131-R135 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R135 HydrophobicContact CE2-CB 4.26Å; Y131-R135 WeakPolarHBondContact O-CB 3.34Å; Y131-R135 PolarHBondContact O-N 2.83Å; Y131-R135 PolarHBondContact OH-NH1 3.23Å; E132-R135 IonicContact OE1-CZ 4Å; E132-R135 VanDerWaalsContact OE1-CZ 3.3Å; E132-R135 IonicContact OE1-NH1 3.96Å; E132-R135 PolarHBondContact OE1-NH1 2.73Å; E132-R135 IonicContact OE1-NH2 2.71Å; E132-R135 PolarHBondContact OE1-NH2 3.01Å; E132-R135 IonicContact OE2-NH2 3.65Å; E132-R135 PolarHBondContact OE2-NH2 3.16Å; I133-R135 PolarHBondContact O-N 3.36Å; R135-L139 PolarHBondContact O-N 3.48Å; R135-E140 VanDerWaalsContact CD-OE1 3.27Å; R135-E140 WeakPolarHBondContact CD-OE1 3.36Å; R135-E140 HydrophobicContact CG-CG 3.82Å; R135-E140 VanDerWaalsContact CG-OE1 3.29Å; R135-E140 WeakPolarHBondContact CG-OE1 3.42Å; R135-E140 IonicContact NE-OE1 2.67Å; R135-E140 IonicContact NE-OE2 2.81Å; R135-E140 WeakPolarHBondContact O-CB 3.4Å; R135-E140 PolarHBondContact O-N 3.38Å
136	R	86.6	Confident	87.9	Confident	148 Å²	148	56.2 Å²	56.2	56%	0.558	25%	0.246	S	C	*	.	I	π-helix	trans	-71.4	-36.5	-170	-175.1	176.4	-177.7	176.7	1.7	114.7	E132 R141	E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; R136-R141 PolarHBondContact O-NE 3.03Å
137	Y	86.8	Confident	88	Confident	47 Å²	47	57.8 Å²	57.8	18%	0.184	26%	0.26	C	S	.	.	I	π-helix	trans	-104	-14	-172.2	-63.1	-77.4	0	0	0	113.5	I133 T153 Q157	I133-Y137 HydrophobicContact CG2-CD2 4.07Å; I133-Y137 WeakPolarHBondContact O-CB 3.14Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.31Å; Y137-T153 HydrophobicContact CD1-CG2 3.79Å; Y137-T153 HydrophobicContact CE1-CG2 3.58Å; Y137-Q157 HydrophobicContact CD1-CG 3.94Å; Y137-Q157 HydrophobicContact CD2-CB 4.08Å; Y137-Q157 HydrophobicContact CD2-CG 3.7Å; Y137-Q157 HydrophobicContact CE1-CG 4.02Å; Y137-Q157 HydrophobicContact CE2-CG 3.78Å; Y137-Q157 HydrophobicContact CG-CB 4.07Å; Y137-Q157 HydrophobicContact CG-CG 3.78Å
138	F	88.2	Confident	88	Confident	10 Å²	10	60.6 Å²	60.6	4%	0.044	28%	0.275	C	S	.	.	I	π-helix	trans	-129.6	-57.9	-175.5	-57.2	-84.9	0	0	0	114.5	I133 A134 Y143 F149 S154 Q157 L161 H475	I133-F138 HydrophobicContact CG2-CE2 4.3Å; A134-F138 CarbonylContact O-C 3.54Å; A134-F138 WeakPolarHBondContact O-CA 3.42Å; A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.29Å; A134-F138 PolarHBondContact O-N 2.69Å; F138-Y143 VanDerWaalsContact CA-OH 3.27Å; F138-Y143 WeakPolarHBondContact CA-OH 3.27Å; F138-Y143 PolarHBondContact O-OH 2.83Å; F138-F149 HydrophobicContact CD1-CD2 4.46Å; F138-F149 AromaticContact CD1-CE2 3.87Å; F138-F149 HydrophobicContact CD1-CE2 3.87Å; F138-F149 AromaticContact CE1-CE2 3.86Å; F138-F149 HydrophobicContact CE1-CE2 3.86Å; F138-S154 WeakPolarHBondContact CZ-O 3.35Å; F138-Q157 HydrophobicContact CE2-CB 4.2Å; F138-Q157 HydrophobicContact CZ-CB 4.49Å; F138-L161 HydrophobicContact CD2-CD1 3.89Å; F138-L161 HydrophobicContact CE2-CD1 3.62Å; F138-L161 HydrophobicContact CZ-CD1 4.34Å; F138-H475 PolarHBondContact O-CE1 2.78Å; F138-H475 VanDerWaalsContact O-CE1 3.31Å; F138-H475 PolarHBondContact O-NE2 3.04Å
139	L	86.7	Confident	87.8	Confident	39 Å²	39	58.4 Å²	58.4	20%	0.204	27%	0.267	C	S	.	.	I	π-helix	trans	-73.5	-36.5	-172.2	-58.6	174.7	0	0	0	113.5	A134 R135 R141 H475 P476	A134-L139 PolarHBondContact O-N 3.39Å; R135-L139 PolarHBondContact O-N 3.48Å; L139-R141 PolarHBondContact O-N 2.88Å; L139-H475 PolarHBondContact O-NE2 3.09Å; L139-P476 HydrophobicContact CB-CB 4.28Å; L139-P476 HydrophobicContact CD2-CB 3.86Å; L139-P476 WeakPolarHBondContact O-CG 3.48Å
140	E	87.7	Confident	87.8	Confident	82 Å²	82	57.7 Å²	57.7	38%	0.383	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	26.5	179.8	-63.4	178.9	163.3	0	0	112.1	R135 T485	R135-E140 VanDerWaalsContact CD-OE1 3.27Å; R135-E140 WeakPolarHBondContact CD-OE1 3.36Å; R135-E140 HydrophobicContact CG-CG 3.82Å; R135-E140 VanDerWaalsContact CG-OE1 3.29Å; R135-E140 WeakPolarHBondContact CG-OE1 3.42Å; R135-E140 IonicContact NE-OE1 2.67Å; R135-E140 IonicContact NE-OE2 2.81Å; R135-E140 WeakPolarHBondContact O-CB 3.4Å; R135-E140 PolarHBondContact O-N 3.38Å; E140-T485 HydrophobicContact CG-CG2 4.11Å
141	R	88.3	Confident	87.8	Confident	129 Å²	129	59.5 Å²	59.5	49%	0.487	27%	0.272	S	S	.	.			trans	-126.9	129	-176	-66.6	-66.2	-171.9	160.5	2.1	111.3	R136 L139 Y143 H475	R136-R141 PolarHBondContact O-NE 3.03Å; L139-R141 PolarHBondContact O-N 2.88Å; R141-Y143 HydrophobicContact CB-CE1 4.29Å; R141-H475 PolarHBondContact O-CD2 2.92Å; R141-H475 PolarHBondContact O-NE2 3.11Å
142	T	87.9	Confident	87.8	Confident	23 Å²	23	65.2 Å²	65.2	14%	0.141	30%	0.301	C	S	.	.			trans	-88	139.4	171.6	-50.6	0	0	0	0	111.2	N459 V460 I489 E493	T142-N459 HydrophobicContact CG2-CB 4.05Å; T142-V460 HydrophobicContact CG2-CG2 4.1Å; T142-I489 PolarHBondContact OG1-O 3.49Å; T142-E493 HydrophobicContact CG2-CG 3.89Å; T142-E493 WeakPolarHBondContact OG1-CG 3.38Å
143	Y	89.7	Confident	87.8	Confident	3 Å²	3	65.9 Å²	65.9	1%	0.012	31%	0.309	C	S	.	.			trans	-114	96.4	179.7	-49.3	-78.2	0	0	0	113.1	F138 R141 D148 F149 N453 Q458 R462 H475	F138-Y143 VanDerWaalsContact CA-OH 3.27Å; F138-Y143 WeakPolarHBondContact CA-OH 3.27Å; F138-Y143 PolarHBondContact O-OH 2.83Å; R141-Y143 HydrophobicContact CB-CE1 4.29Å; Y143-D148 HydrophobicContact CD1-CB 3.96Å; Y143-F149 HydrophobicContact CD1-CB 3.82Å; Y143-F149 HydrophobicContact CD1-CD2 4.3Å; Y143-F149 HydrophobicContact CE1-CB 3.95Å; Y143-F149 AromaticContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CG 4.32Å; Y143-F149 AromaticContact CZ-CD2 3.8Å; Y143-N453 HydrophobicContact CE2-CB 3.94Å; Y143-Q458 PolarHBondContact O-OE1 2.8Å; Y143-R462 PolarHBondContact O-NH2 2.85Å; Y143-H475 AromaticContact CE2-CE1 3.65Å; Y143-H475 AromaticContact CE2-NE2 3.99Å
144	R	88.7	Confident	87.7	Confident	69 Å²	69	65.1 Å²	65.1	26%	0.26	31%	0.306	S	S	.	.	S	Bend	trans	-78.2	-40.5	176.2	-65.1	-174	178.9	-127.3	1.3	111.5	D148 R462 E493 D497	R144-D148 WeakPolarHBondContact CA-OD2 3.35Å; R144-D148 PolarHBondContact N-OD2 3.35Å; R144-R462 PolarHBondContact O-NE 3.41Å; R144-E493 IonicContact CZ-OE2 2.66Å; R144-E493 VanDerWaalsContact CZ-OE2 3.22Å; R144-E493 IonicContact NE-OE2 2.85Å; R144-E493 PolarHBondContact NE-OE2 2.81Å; R144-E493 PolarHBondContact NH2-O 3.3Å; R144-E493 IonicContact NH2-OE2 2.66Å; R144-E493 PolarHBondContact NH2-OE2 3.24Å; R144-D497 IonicContact CZ-OD1 3.07Å; R144-D497 VanDerWaalsContact CZ-OD1 3.28Å; R144-D497 IonicContact CZ-OD2 2.8Å; R144-D497 IonicContact NH1-OD1 3.18Å; R144-D497 PolarHBondContact NH1-OD1 2.59Å; R144-D497 IonicContact NH1-OD2 2.67Å; R144-D497 PolarHBondContact NH1-OD2 3.29Å; R144-D497 IonicContact NH2-OD1 2.59Å; R144-D497 PolarHBondContact NH2-OD1 3.38Å; R144-D497 IonicContact NH2-OD2 3.22Å; R144-D497 PolarHBondContact NH2-OD2 2.94Å
145	K	88.7	Confident	87.7	Confident	135 Å²	135	69.6 Å²	69.6	59%	0.587	33%	0.33	S	S	*	.	S	Bend	trans	-129.1	158.3	-174.2	-62.9	179.1	-174.7	176.6	0	111.1	S147 D148	K145-S147 PolarHBondContact O-N 3.25Å; K145-D148 PolarHBondContact N-OD2 3.13Å; K145-D148 WeakPolarHBondContact O-CB 3.38Å; K145-D148 PolarHBondContact O-N 2.97Å
146	P	87.1	Confident	87.7	Confident	67 Å²	67	69.9 Å²	69.9	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-53	-37.4	174.9	-21.7	27.8	0	0	0	113.3	D148 F149 Y150 Y454	P146-D148 PolarHBondContact O-N 2.92Å; P146-F149 PolarHBondContact O-N 3.42Å; P146-Y150 HydrophobicContact CB-CD2 4.01Å; P146-Y150 HydrophobicContact CB-CE2 4.48Å; P146-Y150 VanDerWaalsContact O-CD2 3.27Å; P146-Y150 WeakPolarHBondContact O-CD2 3.33Å; P146-Y150 PolarHBondContact O-N 3.41Å; P146-Y454 HydrophobicContact CB-CE2 4.37Å; P146-Y454 HydrophobicContact CG-CE2 4.38Å; P146-Y454 WeakPolarHBondContact CG-OH 3.49Å
147	S	90.3	Very high	87.8	Confident	71 Å²	71	63.9 Å²	63.9	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-24.3	179.2	53.3	0	0	0	0	114.2	K145 F149	K145-S147 PolarHBondContact O-N 3.25Å; S147-F149 PolarHBondContact O-N 2.83Å
148	D	86.8	Confident	87.7	Confident	60 Å²	60	62.7 Å²	62.7	32%	0.321	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-24.4	178.4	-55.2	-22	0	0	0	110.9	Y143 R144 K145 P146 N151	Y143-D148 HydrophobicContact CD1-CB 3.96Å; R144-D148 WeakPolarHBondContact CA-OD2 3.35Å; R144-D148 PolarHBondContact N-OD2 3.35Å; K145-D148 PolarHBondContact N-OD2 3.13Å; K145-D148 WeakPolarHBondContact O-CB 3.38Å; K145-D148 PolarHBondContact O-N 2.97Å; P146-D148 PolarHBondContact O-N 2.92Å; D148-N151 PolarHBondContact O-ND2 3.27Å
149	F	86.1	Confident	87.4	Confident	35 Å²	35	65.9 Å²	65.9	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-104.1	-42.4	177.7	-174.9	-107.1	0	0	0	112.6	F138 Y143 P146 S147 N151 S154 N453 Y454	F138-F149 HydrophobicContact CD1-CD2 4.46Å; F138-F149 AromaticContact CD1-CE2 3.87Å; F138-F149 HydrophobicContact CD1-CE2 3.87Å; F138-F149 AromaticContact CE1-CE2 3.86Å; F138-F149 HydrophobicContact CE1-CE2 3.86Å; Y143-F149 HydrophobicContact CD1-CB 3.82Å; Y143-F149 HydrophobicContact CD1-CD2 4.3Å; Y143-F149 HydrophobicContact CE1-CB 3.95Å; Y143-F149 AromaticContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CG 4.32Å; Y143-F149 AromaticContact CZ-CD2 3.8Å; P146-F149 PolarHBondContact O-N 3.42Å; S147-F149 PolarHBondContact O-N 2.83Å; F149-N151 VanDerWaalsContact C-N 3.27Å; F149-N151 PolarHBondContact O-N 3.05Å; F149-N151 VanDerWaalsContact O-N 3.1Å; F149-S154 WeakPolarHBondContact O-CB 3.47Å; F149-N453 HydrophobicContact CD2-CB 4.07Å; F149-N453 HydrophobicContact CE2-CB 3.52Å; F149-N453 HydrophobicContact CZ-CB 4.18Å; F149-Y454 HydrophobicContact CB-CD2 4.14Å; F149-Y454 HydrophobicContact CB-CG 4.14Å; F149-Y454 HydrophobicContact CG-CG 4.41Å
150	Y	87.1	Confident	87.2	Confident	113 Å²	113	69.3 Å²	69.3	44%	0.443	36%	0.36	S	S	.	.	S	Bend	trans	-88.1	60.6	179	-63	-69.5	0	0	0	111.7	P146 Y455	P146-Y150 HydrophobicContact CB-CD2 4.01Å; P146-Y150 HydrophobicContact CB-CE2 4.48Å; P146-Y150 VanDerWaalsContact O-CD2 3.27Å; P146-Y150 WeakPolarHBondContact O-CD2 3.33Å; P146-Y150 PolarHBondContact O-N 3.41Å; Y150-Y455 PolarHBondContact OH-OH 3.3Å
151	N	88.7	Confident	86.6	Confident	47 Å²	47	65.9 Å²	65.9	25%	0.251	34%	0.344	S	S	.	.	S	Bend	trans	-117.5	161	173	68.5	75.1	0	0	0	110.9	D148 F149 T153 S154 L155	D148-N151 PolarHBondContact O-ND2 3.27Å; F149-N151 VanDerWaalsContact C-N 3.27Å; F149-N151 PolarHBondContact O-N 3.05Å; F149-N151 VanDerWaalsContact O-N 3.1Å; N151-T153 PolarHBondContact O-N 2.74Å; N151-T153 WeakPolarHBondContact OD1-CA 3.43Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.37Å; N151-S154 PolarHBondContact ND2-OG 3.49Å; N151-S154 PolarHBondContact O-N 2.92Å; N151-S154 PolarHBondContact OD1-N 3.36Å; N151-S154 PolarHBondContact OD1-OG 3.16Å; N151-L155 WeakPolarHBondContact O-CG 3.18Å; N151-L155 PolarHBondContact O-N 3.39Å
152	M	87.8	Confident	85.9	Confident	134 Å²	134	66 Å²	66	66%	0.66	35%	0.349	S	S	*	.	H	α-helix	trans	-58.5	-36.9	-176.4	-75.4	-50.8	-41.5	0	0	113.3	L155 V156	M152-L155 HydrophobicContact SD-CD1 4.4Å; M152-V156 HydrophobicContact CE-CG2 4.31Å; M152-V156 WeakPolarHBondContact O-CB 3.31Å; M152-V156 VanDerWaalsContact O-CG2 3.24Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 2.87Å
153	T	88.2	Confident	84.8	Confident	76 Å²	76	66.5 Å²	66.5	47%	0.466	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-50.5	178.1	-52.1	0	0	0	0	110.5	Y137 N151 L155 V156 Q157	Y137-T153 HydrophobicContact CD1-CG2 3.79Å; Y137-T153 HydrophobicContact CE1-CG2 3.58Å; N151-T153 PolarHBondContact O-N 2.74Å; N151-T153 WeakPolarHBondContact OD1-CA 3.43Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.37Å; T153-L155 VanDerWaalsContact C-N 3.33Å; T153-L155 PolarHBondContact O-N 3.44Å; T153-V156 PolarHBondContact O-N 3.31Å; T153-Q157 HydrophobicContact CG2-CG 4.27Å; T153-Q157 VanDerWaalsContact O-CB 3.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.29Å; T153-Q157 WeakPolarHBondContact O-CG 3.42Å; T153-Q157 PolarHBondContact O-N 3.21Å
154	S	85.6	Confident	83.3	Confident	11 Å²	11	73.4 Å²	73.4	8%	0.077	39%	0.388	C	S	.	.	H	α-helix	trans	-63	-37.1	178.8	-66.1	0	0	0	0	112.3	F138 F149 N151 G158	F138-S154 WeakPolarHBondContact CZ-O 3.35Å; F149-S154 WeakPolarHBondContact O-CB 3.47Å; N151-S154 PolarHBondContact ND2-OG 3.49Å; N151-S154 PolarHBondContact O-N 2.92Å; N151-S154 PolarHBondContact OD1-N 3.36Å; N151-S154 PolarHBondContact OD1-OG 3.16Å; S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.16Å
155	L	87.3	Confident	82.1	Confident	96 Å²	96	74.2 Å²	74.2	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-47.6	175	-70.4	172	0	0	0	112.1	N151 M152 T153 Q157 G158 A159	N151-L155 WeakPolarHBondContact O-CG 3.18Å; N151-L155 PolarHBondContact O-N 3.39Å; M152-L155 HydrophobicContact SD-CD1 4.4Å; T153-L155 VanDerWaalsContact C-N 3.33Å; T153-L155 PolarHBondContact O-N 3.44Å; L155-Q157 PolarHBondContact O-N 3.03Å; L155-G158 PolarHBondContact O-N 3.42Å; L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.25Å
156	V	88	Confident	81	Confident	72 Å²	72	71.6 Å²	71.6	44%	0.436	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.4	169.1	0	0	0	0	111.2	M152 T153 K160	M152-V156 HydrophobicContact CE-CG2 4.31Å; M152-V156 WeakPolarHBondContact O-CB 3.31Å; M152-V156 VanDerWaalsContact O-CG2 3.24Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 2.87Å; T153-V156 PolarHBondContact O-N 3.31Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3Å
157	Q	88	Confident	80	Confident	22 Å²	22	68.4 Å²	68.4	10%	0.103	37%	0.366	C	S	.	.	H	α-helix	trans	-72.9	-36.8	179.9	-65.1	-61.7	-15.7	0	0	111.6	I133 Y137 F138 T153 L155 A159 K160 L161	I133-Q157 HydrophobicContact CG2-CB 3.81Å; Y137-Q157 HydrophobicContact CD1-CG 3.94Å; Y137-Q157 HydrophobicContact CD2-CB 4.08Å; Y137-Q157 HydrophobicContact CD2-CG 3.7Å; Y137-Q157 HydrophobicContact CE1-CG 4.02Å; Y137-Q157 HydrophobicContact CE2-CG 3.78Å; Y137-Q157 HydrophobicContact CG-CB 4.07Å; Y137-Q157 HydrophobicContact CG-CG 3.78Å; F138-Q157 HydrophobicContact CE2-CB 4.2Å; F138-Q157 HydrophobicContact CZ-CB 4.49Å; T153-Q157 HydrophobicContact CG2-CG 4.27Å; T153-Q157 VanDerWaalsContact O-CB 3.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.29Å; T153-Q157 WeakPolarHBondContact O-CG 3.42Å; T153-Q157 PolarHBondContact O-N 3.21Å; L155-Q157 PolarHBondContact O-N 3.03Å; Q157-A159 PolarHBondContact O-N 3.38Å; Q157-K160 WeakPolarHBondContact O-CB 3.43Å; Q157-K160 PolarHBondContact O-N 3.02Å; Q157-L161 PolarHBondContact O-N 3.48Å
158	G	83.6	Confident	78.7	Confident	22 Å²	22	66.4 Å²	66.4	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-41.2	174.7	0	0	0	0	0	112.4	S154 L155 K160 L161	S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.16Å; L155-G158 PolarHBondContact O-N 3.42Å; G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 3.25Å; G158-L161 WeakPolarHBondContact O-CB 3.42Å; G158-L161 PolarHBondContact O-N 3.13Å; G158-L161 VanDerWaalsContact O-N 3.13Å
159	A	83.2	Confident	78.1	Confident	77 Å²	77	68.2 Å²	68.2	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-60.8	-34.2	174.3	0	0	0	0	0	112.7	L155 Q157 L161 K162	L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.25Å; Q157-A159 PolarHBondContact O-N 3.38Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.47Å; A159-K162 PolarHBondContact O-N 3.33Å
160	K	81.4	Confident	77.7	Confident	112 Å²	112	67.3 Å²	67.3	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-70.4	-24.8	177	-70.1	175.9	-178.6	179.6	0	113.6	I133 V156 Q157 G158 K162	I133-K160 HydrophobicContact CD1-CB 3.82Å; I133-K160 HydrophobicContact CD1-CD 4.09Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3Å; Q157-K160 WeakPolarHBondContact O-CB 3.43Å; Q157-K160 PolarHBondContact O-N 3.02Å; G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 3.25Å; K160-K162 PolarHBondContact O-N 3.32Å
161	L	77	Confident	77.4	Confident	9 Å²	9	62 Å²	62	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-69.7	-21.6	179.6	-69.4	176.9	0	0	0	112.9	K130 I133 A134 F138 Q157 G158 A159 T163 L201	K130-L161 HydrophobicContact CB-CD2 4.01Å; K130-L161 HydrophobicContact CG-CD2 4.49Å; K130-L161 WeakPolarHBondContact O-CD2 3.35Å; I133-L161 HydrophobicContact CB-CD2 3.79Å; I133-L161 HydrophobicContact CG2-CD1 4.42Å; I133-L161 HydrophobicContact CG2-CD2 3.68Å; I133-L161 HydrophobicContact CG2-CG 3.89Å; A134-L161 HydrophobicContact CB-CD2 4.2Å; F138-L161 HydrophobicContact CD2-CD1 3.89Å; F138-L161 HydrophobicContact CE2-CD1 3.62Å; F138-L161 HydrophobicContact CZ-CD1 4.34Å; Q157-L161 PolarHBondContact O-N 3.48Å; G158-L161 WeakPolarHBondContact O-CB 3.42Å; G158-L161 PolarHBondContact O-N 3.13Å; G158-L161 VanDerWaalsContact O-N 3.13Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.47Å; L161-T163 HydrophobicContact CB-CG2 3.55Å; L161-T163 HydrophobicContact CD1-CG2 4.24Å; L161-T163 PolarHBondContact O-N 3.17Å; L161-L201 HydrophobicContact CD2-CD1 4.29Å
162	K	73.3	Confident	77.1	Confident	133 Å²	133	63.5 Å²	63.5	58%	0.578	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	41.1	-177.1	-60.9	-177.2	177.8	179.2	0	113.1	A159 K160 L164 N165 S200	A159-K162 PolarHBondContact O-N 3.33Å; K160-K162 PolarHBondContact O-N 3.32Å; K162-L164 PolarHBondContact O-N 3.4Å; K162-N165 PolarHBondContact O-N 2.6Å; K162-S200 PolarHBondContact O-OG 3.37Å
163	T	63.7	Low	77	Confident	32 Å²	32	63.8 Å²	63.8	20%	0.196	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.2	-172	58.9	0	0	0	0	115.6	L161	L161-T163 HydrophobicContact CB-CG2 3.55Å; L161-T163 HydrophobicContact CD1-CG2 4.24Å; L161-T163 PolarHBondContact O-N 3.17Å
164	L	59.7	Low	76.9	Confident	148 Å²	148	63.1 Å²	63.1	78%	0.775	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14	-177.4	-64.9	176.9	0	0	0	113.1	K162	K162-L164 PolarHBondContact O-N 3.4Å
165	N	61.6	Low	77.1	Confident	87 Å²	87	62.8 Å²	62.8	47%	0.465	32%	0.324	S	S	.	.	S	Bend	trans	-83	154.9	172.8	-63.8	-0.9	0	0	0	109.6	K162 S200	K162-N165 PolarHBondContact O-N 2.6Å; N165-S200 WeakPolarHBondContact O-CB 3.5Å; N165-S200 PolarHBondContact O-N 3.38Å; N165-S200 VanDerWaalsContact O-N 3.16Å; N165-S200 PolarHBondContact O-OG 2.91Å
166	H	66.7	Low	77.1	Confident	79 Å²	79	64.6 Å²	64.6	37%	0.366	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-80.8	154.6	177.2	-59.9	-80.7	0	0	0	111.3	D168 Q169 L170 K196	H166-D168 WeakPolarHBondContact CB-OD1 3.48Å; H166-Q169 HydrophobicContact CB-CB 4.45Å; H166-Q169 HydrophobicContact CB-CG 4.2Å; H166-Q169 PolarHBondContact O-N 3.21Å; H166-L170 PolarHBondContact O-N 3.49Å; H166-L170 VanDerWaalsContact O-N 3.16Å; H166-K196 PolarHBondContact CE1-O 3.33Å; H166-K196 PolarHBondContact ND1-O 3.05Å
167	A	65.4	Low	77.2	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-39.8	-178.3	0	0	0	0	0	112.3	L170 I171	A167-L170 PolarHBondContact O-N 2.97Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.34Å; A167-I171 PolarHBondContact O-N 3.27Å; A167-I171 VanDerWaalsContact O-N 3.07Å
168	D	64.5	Low	77.2	Confident	28 Å²	28	67.3 Å²	67.3	15%	0.15	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-48.7	175.1	58.8	-11.6	0	0	0	111.8	H166 L170 I171 E172 R336	H166-D168 WeakPolarHBondContact CB-OD1 3.48Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.84Å; D168-I171 PolarHBondContact O-N 3.37Å; D168-E172 WeakPolarHBondContact O-CB 3.32Å; D168-E172 WeakPolarHBondContact O-CG 3.4Å; D168-E172 PolarHBondContact O-N 3.2Å; D168-R336 IonicContact OD2-NH2 3.97Å
169	Q	73.4	Confident	77.3	Confident	99 Å²	99	69.4 Å²	69.4	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-34	177.4	-68.4	178.8	-8.1	0	0	112.9	H166 H173	H166-Q169 HydrophobicContact CB-CB 4.45Å; H166-Q169 HydrophobicContact CB-CG 4.2Å; H166-Q169 PolarHBondContact O-N 3.21Å; Q169-H173 WeakPolarHBondContact O-CB 3.35Å; Q169-H173 PolarHBondContact O-N 3.37Å
170	L	76.7	Confident	77.6	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-41.5	174.7	-178.3	65.7	0	0	0	110.9	F123 V127 H166 A167 D168 H173 Y174	F123-L170 HydrophobicContact CD2-CG 4.42Å; F123-L170 HydrophobicContact CE2-CD2 4.28Å; F123-L170 HydrophobicContact CE2-CG 4.2Å; V127-L170 HydrophobicContact CG2-CD2 4.13Å; H166-L170 PolarHBondContact O-N 3.49Å; H166-L170 VanDerWaalsContact O-N 3.16Å; A167-L170 PolarHBondContact O-N 2.97Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.84Å; L170-H173 PolarHBondContact O-N 3.02Å; L170-Y174 HydrophobicContact CD1-CD2 4.46Å; L170-Y174 HydrophobicContact CD1-CE2 3.88Å; L170-Y174 VanDerWaalsContact O-CD2 3.27Å; L170-Y174 WeakPolarHBondContact O-CD2 3.17Å
171	I	80.9	Confident	77.9	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-49.5	178.9	-65.8	163.2	0	0	0	110	F123 A167 D168 H173 Y174 I175 Q181 L184	F123-I171 HydrophobicContact CD2-CG1 4.48Å; F123-I171 HydrophobicContact CE2-CB 4.43Å; F123-I171 HydrophobicContact CE2-CG1 3.58Å; F123-I171 HydrophobicContact CZ-CG1 3.78Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.34Å; A167-I171 PolarHBondContact O-N 3.27Å; A167-I171 VanDerWaalsContact O-N 3.07Å; D168-I171 PolarHBondContact O-N 3.37Å; I171-H173 PolarHBondContact O-N 3.16Å; I171-H173 VanDerWaalsContact O-N 3.16Å; I171-Y174 PolarHBondContact O-N 2.85Å; I171-I175 HydrophobicContact CG2-CD1 4.3Å; I171-I175 PolarHBondContact O-N 3.45Å; I171-Q181 HydrophobicContact CG2-CB 4.09Å; I171-Q181 HydrophobicContact CG2-CG 3.94Å; I171-L184 HydrophobicContact CD1-CB 3.81Å; I171-L184 HydrophobicContact CG1-CB 4.32Å; I171-L184 HydrophobicContact CG1-CD1 4.43Å; I171-L184 HydrophobicContact CG2-CB 4.27Å; I171-L184 HydrophobicContact CG2-CD1 3.76Å
172	E	82.7	Confident	78.2	Confident	78 Å²	78	64 Å²	64	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-56.9	-28.8	177.3	-72.9	175.6	-173.2	0	0	112.4	D168 Y174 R336	D168-E172 WeakPolarHBondContact O-CB 3.32Å; D168-E172 WeakPolarHBondContact O-CG 3.4Å; D168-E172 PolarHBondContact O-N 3.2Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 3.49Å; E172-R336 IonicContact OE1-NH2 2.68Å
173	H	85.2	Confident	78.8	Confident	140 Å²	140	58 Å²	58	65%	0.648	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28	176.5	-178.2	59.4	0	0	0	113.8	Q169 L170 I171	Q169-H173 WeakPolarHBondContact O-CB 3.35Å; Q169-H173 PolarHBondContact O-N 3.37Å; L170-H173 PolarHBondContact O-N 3.02Å; I171-H173 PolarHBondContact O-N 3.16Å; I171-H173 VanDerWaalsContact O-N 3.16Å
174	Y	87	Confident	79.7	Confident	62 Å²	62	56.4 Å²	56.4	24%	0.243	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-22.9	-175.3	-72.4	-76.4	0	0	0	113.5	G119 F123 D126 L170 I171 E172	G119-Y174 CarbonylContact C-O 3.58Å; G119-Y174 WeakPolarHBondContact CA-O 3.38Å; F123-Y174 HydrophobicContact CB-CD1 4.42Å; F123-Y174 HydrophobicContact CB-CD2 3.85Å; F123-Y174 HydrophobicContact CB-CG 3.76Å; F123-Y174 AromaticContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CG-CD2 4.4Å; D126-Y174 HydrophobicContact CB-CE2 4.47Å; L170-Y174 HydrophobicContact CD1-CD2 4.46Å; L170-Y174 HydrophobicContact CD1-CE2 3.88Å; L170-Y174 VanDerWaalsContact O-CD2 3.27Å; L170-Y174 WeakPolarHBondContact O-CD2 3.17Å; I171-Y174 PolarHBondContact O-N 2.85Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 3.49Å
175	I	89.9	Confident	80.5	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	24%	0.243	C	C	.	.			trans	-135.4	121.6	-168.6	-64.9	162.6	0	0	0	108	F120 I171 I180 Q181 L184	F120-I175 HydrophobicContact CB-CD1 4.44Å; F120-I175 HydrophobicContact CD2-CD1 3.75Å; I171-I175 HydrophobicContact CG2-CD1 4.3Å; I171-I175 PolarHBondContact O-N 3.45Å; I175-I180 HydrophobicContact CD1-CG2 3.98Å; I175-I180 HydrophobicContact CG1-CG2 4.48Å; I175-I180 HydrophobicContact CG2-CB 3.61Å; I175-I180 HydrophobicContact CG2-CD1 4.48Å; I175-I180 HydrophobicContact CG2-CG2 3.57Å; I175-Q181 HydrophobicContact CB-CG 4.49Å; I175-Q181 HydrophobicContact CG2-CG 4.08Å; I175-Q181 PolarHBondContact O-NE2 3.14Å; I175-L184 HydrophobicContact CD1-CD1 3.22Å
176	D	86.9	Confident	81.3	Confident	133 Å²	133	46.5 Å²	46.5	71%	0.711	22%	0.223	S	C	*	.			trans	-86.9	-36	-178.5	-66.4	-37.7	0	0	0	112.2	E178 Q181	D176-E178 PolarHBondContact O-N 2.87Å; D176-Q181 PolarHBondContact O-NE2 2.77Å
177	N	90.7	Very high	81.6	Confident	35 Å²	35	42.7 Å²	42.7	19%	0.187	21%	0.205	C	C	.	.			trans	-68.2	123.3	-176.3	-171.1	-82.6	0	0	0	114.2	I112 E113 K179 I180 Q181	I112-N177 WeakPolarHBondContact CG2-OD1 3.44Å; E113-N177 HydrophobicContact CB-CB 4.06Å; E113-N177 HydrophobicContact CG-CB 4.5Å; E113-N177 VanDerWaalsContact OE2-CB 3.32Å; E113-N177 WeakPolarHBondContact OE2-CB 3.14Å; E113-N177 PolarHBondContact OE2-N 2.79Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 PolarHBondContact O-N 2.73Å; N177-K179 WeakPolarHBondContact OD1-CA 3.27Å; N177-K179 VanDerWaalsContact OD1-CB 3.29Å; N177-K179 WeakPolarHBondContact OD1-CB 3.32Å; N177-K179 PolarHBondContact OD1-N 2.77Å; N177-I180 HydrophobicContact CB-CB 4.39Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.08Å; N177-I180 PolarHBondContact O-N 3.17Å; N177-I180 PolarHBondContact OD1-N 2.58Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 2.86Å
178	E	87	Confident	81.7	Confident	117 Å²	117	42.7 Å²	42.7	55%	0.547	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-36.3	-178.8	-167.8	-172.8	159.4	0	0	113.7	D176 Q181 K182	D176-E178 PolarHBondContact O-N 2.87Å; E178-Q181 PolarHBondContact O-N 3.41Å; E178-K182 HydrophobicContact CG-CD 4.47Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.31Å; E178-K182 IonicContact OE1-NZ 2.93Å; E178-K182 PolarHBondContact OE1-NZ 2.81Å
179	K	87.3	Confident	81.9	Confident	66 Å²	66	42 Å²	42	29%	0.287	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-45.2	178.6	-67.1	-174.3	174.3	-176.1	0	110.9	F90 D94 I96 I112 N177 Q181 K182 L183	F90-K179 HydrophobicContact CD2-CD 4.41Å; F90-K179 HydrophobicContact CE2-CB 4.36Å; F90-K179 HydrophobicContact CE2-CD 4.25Å; F90-K179 HydrophobicContact CE2-CG 4.3Å; F90-K179 HydrophobicContact CZ-CB 4.12Å; F90-K179 HydrophobicContact CZ-CG 4.23Å; D94-K179 IonicContact OD1-NZ 2.68Å; D94-K179 PolarHBondContact OD1-NZ 3.17Å; D94-K179 VanDerWaalsContact OD2-CE 3.24Å; D94-K179 WeakPolarHBondContact OD2-CE 3.36Å; D94-K179 IonicContact OD2-NZ 3.67Å; D94-K179 PolarHBondContact OD2-NZ 3.48Å; I96-K179 HydrophobicContact CD1-CB 4.42Å; I96-K179 HydrophobicContact CD1-CD 4.23Å; I112-K179 HydrophobicContact CG2-CB 4.42Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 PolarHBondContact O-N 2.73Å; N177-K179 WeakPolarHBondContact OD1-CA 3.27Å; N177-K179 VanDerWaalsContact OD1-CB 3.29Å; N177-K179 WeakPolarHBondContact OD1-CB 3.32Å; N177-K179 PolarHBondContact OD1-N 2.77Å; K179-Q181 VanDerWaalsContact C-N 3.3Å; K179-Q181 PolarHBondContact O-N 3.09Å; K179-K182 PolarHBondContact O-N 3.48Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 2.83Å
180	I	89.7	Confident	81.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-39.2	177.6	-54.9	176	0	0	0	110.1	L109 I112 E113 F120 I175 N177 L183 L184	L109-I180 HydrophobicContact CD2-CD1 3.9Å; L109-I180 HydrophobicContact CD2-CG1 4.24Å; L109-I180 HydrophobicContact CD2-CG2 3.96Å; I112-I180 HydrophobicContact CB-CD1 4.41Å; I112-I180 HydrophobicContact CB-CG1 4.45Å; I112-I180 HydrophobicContact CD1-CG1 4.17Å; I112-I180 HydrophobicContact CG2-CD1 4.18Å; I112-I180 HydrophobicContact CG2-CG1 3.93Å; E113-I180 HydrophobicContact CB-CD1 4.5Å; F120-I180 HydrophobicContact CD2-CG2 3.88Å; F120-I180 HydrophobicContact CE2-CG2 4.19Å; I175-I180 HydrophobicContact CD1-CG2 3.98Å; I175-I180 HydrophobicContact CG1-CG2 4.48Å; I175-I180 HydrophobicContact CG2-CB 3.61Å; I175-I180 HydrophobicContact CG2-CD1 4.48Å; I175-I180 HydrophobicContact CG2-CG2 3.57Å; N177-I180 HydrophobicContact CB-CB 4.39Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.08Å; N177-I180 PolarHBondContact O-N 3.17Å; N177-I180 PolarHBondContact OD1-N 2.58Å; I180-L183 PolarHBondContact O-N 2.86Å; I180-L184 PolarHBondContact O-N 2.81Å
181	Q	86.8	Confident	81.3	Confident	39 Å²	39	39.5 Å²	39.5	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-46.1	172.9	-64.2	176.4	2.3	0	0	111.8	I171 I175 D176 N177 E178 K179 L183 L184 A185	I171-Q181 HydrophobicContact CG2-CB 4.09Å; I171-Q181 HydrophobicContact CG2-CG 3.94Å; I175-Q181 HydrophobicContact CB-CG 4.49Å; I175-Q181 HydrophobicContact CG2-CG 4.08Å; I175-Q181 PolarHBondContact O-NE2 3.14Å; D176-Q181 PolarHBondContact O-NE2 2.77Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 2.86Å; E178-Q181 PolarHBondContact O-N 3.41Å; K179-Q181 VanDerWaalsContact C-N 3.3Å; K179-Q181 PolarHBondContact O-N 3.09Å; Q181-L183 PolarHBondContact O-N 3.18Å; Q181-L184 PolarHBondContact O-N 2.86Å; Q181-A185 VanDerWaalsContact O-CB 3.29Å; Q181-A185 WeakPolarHBondContact O-CB 3.45Å; Q181-A185 PolarHBondContact O-N 3.1Å
182	K	83.5	Confident	80.6	Confident	44 Å²	44	39.3 Å²	39.3	19%	0.191	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-43.6	176.2	-77	177.8	-177.6	169.8	0	112	F90 E178 K179 L184 A185 F186 F331	F90-K182 HydrophobicContact CD1-CD 4.48Å; F90-K182 HydrophobicContact CE1-CB 4.11Å; F90-K182 HydrophobicContact CE1-CD 3.84Å; F90-K182 HydrophobicContact CZ-CB 4.44Å; E178-K182 HydrophobicContact CG-CD 4.47Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.31Å; E178-K182 IonicContact OE1-NZ 2.93Å; E178-K182 PolarHBondContact OE1-NZ 2.81Å; K179-K182 PolarHBondContact O-N 3.48Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 3.01Å; K182-A185 PolarHBondContact O-N 2.68Å; K182-F186 WeakPolarHBondContact O-CB 3.42Å; K182-F186 PolarHBondContact O-N 3.17Å; K182-F331 HydrophobicContact CB-CE1 4.26Å; K182-F331 HydrophobicContact CB-CZ 4.09Å; K182-F331 WeakPolarHBondContact O-CZ 3.45Å
183	L	84.9	Confident	80	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-41.9	176.1	-70.1	176.7	0	0	0	111.9	Y86 V88 F90 I96 V98 M108 K179 I180 Q181	Y86-L183 HydrophobicContact CE2-CD2 4.41Å; V88-L183 HydrophobicContact CB-CD2 3.78Å; V88-L183 HydrophobicContact CG1-CD2 3.86Å; V88-L183 HydrophobicContact CG2-CD2 3.38Å; F90-L183 HydrophobicContact CZ-CD2 4.46Å; I96-L183 HydrophobicContact CD1-CD1 4.27Å; I96-L183 HydrophobicContact CG2-CD1 4.25Å; V98-L183 HydrophobicContact CG2-CD2 4.4Å; M108-L183 HydrophobicContact CE-CD1 4.38Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 2.83Å; I180-L183 PolarHBondContact O-N 2.86Å; Q181-L183 PolarHBondContact O-N 3.18Å
184	L	83.5	Confident	79.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-77.4	-38.2	178.3	-67.2	172.7	0	0	0	112.6	F120 F123 I171 I175 I180 Q181 K182 P206	F120-L184 HydrophobicContact CD2-CD1 4.28Å; F120-L184 HydrophobicContact CE2-CD1 4Å; F120-L184 HydrophobicContact CE2-CD2 3.79Å; F120-L184 HydrophobicContact CE2-CG 4.13Å; F120-L184 HydrophobicContact CZ-CD2 4.2Å; F123-L184 HydrophobicContact CD1-CD1 4.17Å; F123-L184 HydrophobicContact CE1-CD1 3.88Å; F123-L184 HydrophobicContact CE1-CD2 3.96Å; F123-L184 HydrophobicContact CZ-CD1 4.27Å; I171-L184 HydrophobicContact CD1-CB 3.81Å; I171-L184 HydrophobicContact CG1-CB 4.32Å; I171-L184 HydrophobicContact CG1-CD1 4.43Å; I171-L184 HydrophobicContact CG2-CB 4.27Å; I171-L184 HydrophobicContact CG2-CD1 3.76Å; I175-L184 HydrophobicContact CD1-CD1 3.22Å; I180-L184 PolarHBondContact O-N 2.81Å; Q181-L184 PolarHBondContact O-N 2.86Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 3.01Å; L184-P206 HydrophobicContact CD2-CB 3.57Å; L184-P206 HydrophobicContact CD2-CG 4.23Å
185	A	76.7	Confident	78	Confident	16 Å²	16	27.3 Å²	27.3	13%	0.132	14%	0.135	C	C	.	.	H	α-helix	trans	-70.2	-38.7	-177.5	0	0	0	0	0	112.6	Q181 K182 Q187 T188 F335	Q181-A185 VanDerWaalsContact O-CB 3.29Å; Q181-A185 WeakPolarHBondContact O-CB 3.45Å; Q181-A185 PolarHBondContact O-N 3.1Å; K182-A185 PolarHBondContact O-N 2.68Å; A185-Q187 PolarHBondContact O-N 2.66Å; A185-Q187 VanDerWaalsContact O-N 3.16Å; A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.46Å; A185-T188 PolarHBondContact O-OG1 3.32Å; A185-F335 HydrophobicContact CB-CE1 4.47Å
186	F	76.8	Confident	76.4	Confident	10 Å²	10	30.3 Å²	30.3	4%	0.044	15%	0.148	C	C	.	.	H	α-helix	trans	-54.2	-37.3	-179.2	164	-99.5	0	0	0	113.1	K182 T188 L189 Y190 V329 F331	K182-F186 WeakPolarHBondContact O-CB 3.42Å; K182-F186 PolarHBondContact O-N 3.17Å; F186-T188 PolarHBondContact O-N 3.46Å; F186-T188 VanDerWaalsContact O-N 3.09Å; F186-L189 HydrophobicContact CD2-CD1 3.96Å; F186-L189 HydrophobicContact CE2-CD1 4.16Å; F186-L189 WeakPolarHBondContact O-CB 3.38Å; F186-L189 PolarHBondContact O-N 3.3Å; F186-Y190 HydrophobicContact CD1-CE1 4.35Å; F186-Y190 AromaticContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CZ-CE1 4.15Å; F186-V329 HydrophobicContact CD1-CG1 4.08Å; F186-V329 HydrophobicContact CD1-CG2 4.06Å; F186-V329 HydrophobicContact CD2-CG1 3.68Å; F186-V329 HydrophobicContact CE1-CB 4.12Å; F186-V329 HydrophobicContact CE1-CG1 3.75Å; F186-V329 HydrophobicContact CE1-CG2 3.25Å; F186-V329 HydrophobicContact CE2-CB 4.41Å; F186-V329 HydrophobicContact CE2-CG1 3.31Å; F186-V329 HydrophobicContact CE2-CG2 4.24Å; F186-V329 HydrophobicContact CG-CG1 4.06Å; F186-V329 HydrophobicContact CZ-CB 4Å; F186-V329 HydrophobicContact CZ-CG1 3.36Å; F186-V329 HydrophobicContact CZ-CG2 3.37Å; F186-F331 HydrophobicContact CB-CE1 3.75Å; F186-F331 HydrophobicContact CB-CE2 4.35Å; F186-F331 HydrophobicContact CB-CZ 3.35Å; F186-F331 HydrophobicContact CD2-CE1 4.2Å; F186-F331 HydrophobicContact CD2-CZ 4.17Å; F186-F331 HydrophobicContact CG-CE1 4.3Å; F186-F331 AromaticContact CG-CZ 3.89Å; F186-F331 HydrophobicContact CG-CZ 3.89Å
187	Q	74.1	Confident	75.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-66.4	-17.4	-177.1	-55.8	-164.9	3	0	0	113.9	Y86 A185 L189 Y190 I205 P206 E209	Y86-Q187 PolarHBondContact OH-NE2 3.3Å; A185-Q187 PolarHBondContact O-N 2.66Å; A185-Q187 VanDerWaalsContact O-N 3.16Å; Q187-L189 PolarHBondContact O-N 3.39Å; Q187-Y190 VanDerWaalsContact O-CB 3.25Å; Q187-Y190 WeakPolarHBondContact O-CB 3.49Å; Q187-Y190 PolarHBondContact O-N 3.21Å; Q187-Y190 VanDerWaalsContact O-N 3.08Å; Q187-I205 HydrophobicContact CB-CG2 4.19Å; Q187-P206 HydrophobicContact CG-CB 4.43Å; Q187-E209 PolarHBondContact NE2-OE2 3.27Å; Q187-E209 PolarHBondContact OE1-OE2 2.96Å
188	T	67.5	Low	73.6	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.1	171.2	65.8	0	0	0	0	112.3	A185 F186 Y190 I191 I193 P195	A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.46Å; A185-T188 PolarHBondContact O-OG1 3.32Å; F186-T188 PolarHBondContact O-N 3.46Å; F186-T188 VanDerWaalsContact O-N 3.09Å; T188-Y190 PolarHBondContact O-N 2.79Å; T188-I191 WeakPolarHBondContact O-CG1 3.48Å; T188-I191 PolarHBondContact O-N 3.33Å; T188-I193 WeakPolarHBondContact O-CG1 3.3Å; T188-P195 WeakPolarHBondContact OG1-CB 3.47Å; T188-P195 VanDerWaalsContact OG1-CG 3.23Å; T188-P195 WeakPolarHBondContact OG1-CG 3.32Å
189	L	69.5	Low	72.3	Confident	12 Å²	12	25.8 Å²	25.8	6%	0.063	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-66.6	-17.7	171.2	-73.4	175.5	0	0	0	113.6	F186 Q187 I191 G192 F335 I339	F186-L189 HydrophobicContact CD2-CD1 3.96Å; F186-L189 HydrophobicContact CE2-CD1 4.16Å; F186-L189 WeakPolarHBondContact O-CB 3.38Å; F186-L189 PolarHBondContact O-N 3.3Å; Q187-L189 PolarHBondContact O-N 3.39Å; L189-I191 PolarHBondContact O-N 3.39Å; L189-G192 PolarHBondContact O-N 3.32Å; L189-F335 HydrophobicContact CD1-CE2 3.87Å; L189-F335 HydrophobicContact CD1-CZ 3.99Å; L189-I339 HydrophobicContact CD1-CD1 3.87Å; L189-I339 HydrophobicContact CD2-CD1 3.37Å; L189-I339 HydrophobicContact CG-CD1 3.91Å
190	Y	71.7	Confident	71.1	Confident	42 Å²	42	22.7 Å²	22.7	17%	0.165	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.5	-18.5	179.6	-77.1	19.9	0	0	0	113.6	I55 M57 F186 Q187 T188 I205 E209 F443	I55-Y190 HydrophobicContact CD1-CD2 4.31Å; I55-Y190 HydrophobicContact CD1-CE1 4.11Å; I55-Y190 HydrophobicContact CD1-CE2 3.36Å; I55-Y190 WeakPolarHBondContact CD1-OH 3.34Å; I55-Y190 HydrophobicContact CG2-CE2 4.38Å; M57-Y190 HydrophobicContact CE-CD2 4.11Å; F186-Y190 HydrophobicContact CD1-CE1 4.35Å; F186-Y190 AromaticContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CZ-CE1 4.15Å; Q187-Y190 VanDerWaalsContact O-CB 3.25Å; Q187-Y190 WeakPolarHBondContact O-CB 3.49Å; Q187-Y190 PolarHBondContact O-N 3.21Å; Q187-Y190 VanDerWaalsContact O-N 3.08Å; T188-Y190 PolarHBondContact O-N 2.79Å; Y190-I205 HydrophobicContact CD2-CG2 4.23Å; Y190-E209 WeakPolarHBondContact CE2-OE1 3.42Å; Y190-E209 PolarHBondContact OH-OE1 2.9Å; Y190-F443 WeakPolarHBondContact O-CD1 3.49Å
191	I	65.6	Low	70	Confident	20 Å²	20	24.3 Å²	24.3	10%	0.103	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-115.4	12.8	177.9	55.4	168.1	0	0	0	112	T188 L189 I193 Y202 I205 P447	T188-I191 WeakPolarHBondContact O-CG1 3.48Å; T188-I191 PolarHBondContact O-N 3.33Å; L189-I191 PolarHBondContact O-N 3.39Å; I191-I193 HydrophobicContact CD1-CD1 3.48Å; I191-I193 VanDerWaalsContact CD1-CD1 3.48Å; I191-I193 HydrophobicContact CD1-CG1 3.92Å; I191-I193 HydrophobicContact CD1-CG2 4.33Å; I191-I193 HydrophobicContact CG1-CD1 4.07Å; I191-I193 HydrophobicContact CG1-CG1 3.92Å; I191-I193 HydrophobicContact CG1-CG2 4.28Å; I191-Y202 HydrophobicContact CD1-CD1 3.03Å; I191-Y202 HydrophobicContact CD1-CD2 4.14Å; I191-Y202 HydrophobicContact CD1-CE1 3.37Å; I191-Y202 HydrophobicContact CD1-CE2 4.39Å; I191-Y202 HydrophobicContact CD1-CG 3.49Å; I191-Y202 VanDerWaalsContact CD1-CG 3.49Å; I191-I205 HydrophobicContact CD1-CD1 3.91Å; I191-I205 HydrophobicContact CG1-CD1 4.05Å; I191-I205 HydrophobicContact CG2-CD1 3.83Å; I191-P447 HydrophobicContact CB-CG 4.49Å; I191-P447 HydrophobicContact CD1-CG 3.93Å
192	G	65	Low	69.3	Low	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	39.7	174.6	0	0	0	0	0	114.7	L189 C307 F343	L189-G192 PolarHBondContact O-N 3.32Å; G192-C307 WeakPolarHBondContact CA-SG 3.43Å; G192-C307 PolarHBondContact O-N 3.49Å; G192-F343 WeakPolarHBondContact O-CZ 3.34Å
193	I	69.8	Low	68.9	Low	6 Å²	6	22 Å²	22	3%	0.031	10%	0.1	C	C	.	.			trans	-118.5	152.3	177.4	71.1	177	0	0	0	112.3	T188 I191 P195 Y202 M446 P447	T188-I193 WeakPolarHBondContact O-CG1 3.3Å; I191-I193 HydrophobicContact CD1-CD1 3.48Å; I191-I193 VanDerWaalsContact CD1-CD1 3.48Å; I191-I193 HydrophobicContact CD1-CG1 3.92Å; I191-I193 HydrophobicContact CD1-CG2 4.33Å; I191-I193 HydrophobicContact CG1-CD1 4.07Å; I191-I193 HydrophobicContact CG1-CG1 3.92Å; I191-I193 HydrophobicContact CG1-CG2 4.28Å; I193-P195 WeakPolarHBondContact O-CD 3.4Å; I193-Y202 HydrophobicContact CD1-CD1 4.42Å; I193-Y202 HydrophobicContact CD1-CD2 3.28Å; I193-Y202 HydrophobicContact CD1-CE2 3.86Å; I193-Y202 HydrophobicContact CD1-CG 3.64Å; I193-M446 HydrophobicContact CG2-CG 3.83Å; I193-P447 HydrophobicContact CG2-CG 3.77Å
194	D	70.7	Confident	68.7	Low	10 Å²	10	22.6 Å²	22.6	5%	0.053	10%	0.103	C	C	.	.			trans	-70.2	122.2	165.4	174.8	-4.1	0	0	0	109.4	K196 R197 G198 I339 F343	D194-K196 PolarHBondContact O-N 2.72Å; D194-K196 VanDerWaalsContact O-N 3.14Å; D194-K196 WeakPolarHBondContact OD1-CB 3.3Å; D194-K196 PolarHBondContact OD1-N 3.5Å; D194-R197 HydrophobicContact CB-CB 4.12Å; D194-R197 HydrophobicContact CB-CG 4.26Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 WeakPolarHBondContact OD2-CG 3.32Å; D194-R197 IonicContact OD2-NE 3.95Å; D194-G198 PolarHBondContact O-N 3.35Å; D194-I339 HydrophobicContact CB-CG2 3.74Å; D194-I339 WeakPolarHBondContact OD1-CG2 3.32Å; D194-F343 HydrophobicContact CB-CD2 3.7Å; D194-F343 HydrophobicContact CB-CE2 3.6Å; D194-F343 HydrophobicContact CB-CG 4.42Å; D194-F343 HydrophobicContact CB-CZ 4.23Å; D194-F343 VanDerWaalsContact N-CE2 3.28Å; D194-F343 VanDerWaalsContact N-CZ 3.27Å
195	P	59.4	Low	68.7	Low	11 Å²	11	23.5 Å²	23.5	7%	0.071	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.1	176.2	-9.5	9.7	0	0	0	114.1	T188 I193 F335	T188-P195 WeakPolarHBondContact OG1-CB 3.47Å; T188-P195 VanDerWaalsContact OG1-CG 3.23Å; T188-P195 WeakPolarHBondContact OG1-CG 3.32Å; I193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-F335 HydrophobicContact CG-CE1 4.48Å
196	K	57.7	Low	68.9	Low	68 Å²	68	22.8 Å²	22.8	30%	0.296	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-33.9	177.8	-66.4	-178.1	-179.6	172.4	0	112.3	H166 D194 E340	H166-K196 PolarHBondContact CE1-O 3.33Å; H166-K196 PolarHBondContact ND1-O 3.05Å; D194-K196 PolarHBondContact O-N 2.72Å; D194-K196 VanDerWaalsContact O-N 3.14Å; D194-K196 WeakPolarHBondContact OD1-CB 3.3Å; D194-K196 PolarHBondContact OD1-N 3.5Å; K196-E340 IonicContact NZ-OE1 2.83Å; K196-E340 PolarHBondContact NZ-OE1 3.41Å
197	R	59	Low	69.5	Low	171 Å²	171	22.3 Å²	22.3	65%	0.645	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-15.1	179.8	-62.3	177.9	-177.3	-169.9	2.4	112.2	D194	D194-R197 HydrophobicContact CB-CB 4.12Å; D194-R197 HydrophobicContact CB-CG 4.26Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 WeakPolarHBondContact OD2-CG 3.32Å; D194-R197 IonicContact OD2-NE 3.95Å
198	G	59.1	Low	70	Confident	4 Å²	4	22.9 Å²	22.9	4%	0.041	10%	0.103	C	C	.	.	S	Bend	trans	-69.3	130.8	176.2	0	0	0	0	0	112.6	D194	D194-G198 PolarHBondContact O-N 3.35Å
199	P	60.8	Low	70.9	Confident	14 Å²	14	22.9 Å²	22.9	9%	0.091	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-46.6	140	162.8	-29.3	31.4	0	0	0	112	L201 Y202 L449	P199-L201 HydrophobicContact CB-CB 4.15Å; P199-L201 PolarHBondContact O-N 3.36Å; P199-Y202 HydrophobicContact CB-CD2 4.1Å; P199-Y202 HydrophobicContact CB-CE2 3.99Å; P199-Y202 HydrophobicContact CG-CD2 4.22Å; P199-Y202 HydrophobicContact CG-CE2 3.74Å; P199-Y202 WeakPolarHBondContact O-CD2 3.47Å; P199-Y202 PolarHBondContact O-N 2.91Å; P199-L449 HydrophobicContact CB-CD2 4.11Å; P199-L449 HydrophobicContact CG-CD2 3.74Å; P199-L449 HydrophobicContact CG-CG 3.8Å
200	S	61.6	Low	71.6	Confident	1 Å²	1	23 Å²	23	1%	0.007	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-53.2	-18.9	172.9	66.1	0	0	0	0	113.7	K162 N165 Y202 S203	K162-S200 PolarHBondContact O-OG 3.37Å; N165-S200 WeakPolarHBondContact O-CB 3.5Å; N165-S200 PolarHBondContact O-N 3.38Å; N165-S200 VanDerWaalsContact O-N 3.16Å; N165-S200 PolarHBondContact O-OG 2.91Å; S200-Y202 PolarHBondContact O-N 3.07Å; S200-S203 WeakPolarHBondContact O-CB 3.31Å; S200-S203 PolarHBondContact O-N 3.27Å; S200-S203 VanDerWaalsContact O-N 3.15Å; S200-S203 PolarHBondContact O-OG 2.93Å
201	L	65.9	Low	72.2	Confident	35 Å²	35	25.2 Å²	25.2	18%	0.183	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-54.3	-27.8	174	-169	67.7	0	0	0	112.8	A134 L161 P199 S203 I204	A134-L201 HydrophobicContact CB-CD1 3.83Å; L161-L201 HydrophobicContact CD2-CD1 4.29Å; P199-L201 HydrophobicContact CB-CB 4.15Å; P199-L201 PolarHBondContact O-N 3.36Å; L201-S203 PolarHBondContact O-N 2.85Å; L201-I204 HydrophobicContact CD1-CD1 3.4Å; L201-I204 HydrophobicContact CG-CD1 3.92Å; L201-I204 WeakPolarHBondContact O-CB 3.2Å; L201-I204 VanDerWaalsContact O-CD1 3.28Å; L201-I204 WeakPolarHBondContact O-CD1 3.31Å; L201-I204 WeakPolarHBondContact O-CG1 3.41Å; L201-I204 PolarHBondContact O-N 3.39Å
202	Y	73.4	Confident	73.2	Confident	33 Å²	33	27.3 Å²	27.3	13%	0.129	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-75.5	-10.1	-179.2	-66	-61.9	0	0	0	114.6	I191 I193 P199 S200 I204 I205 P447	I191-Y202 HydrophobicContact CD1-CD1 3.03Å; I191-Y202 HydrophobicContact CD1-CD2 4.14Å; I191-Y202 HydrophobicContact CD1-CE1 3.37Å; I191-Y202 HydrophobicContact CD1-CE2 4.39Å; I191-Y202 HydrophobicContact CD1-CG 3.49Å; I191-Y202 VanDerWaalsContact CD1-CG 3.49Å; I193-Y202 HydrophobicContact CD1-CD1 4.42Å; I193-Y202 HydrophobicContact CD1-CD2 3.28Å; I193-Y202 HydrophobicContact CD1-CE2 3.86Å; I193-Y202 HydrophobicContact CD1-CG 3.64Å; P199-Y202 HydrophobicContact CB-CD2 4.1Å; P199-Y202 HydrophobicContact CB-CE2 3.99Å; P199-Y202 HydrophobicContact CG-CD2 4.22Å; P199-Y202 HydrophobicContact CG-CE2 3.74Å; P199-Y202 WeakPolarHBondContact O-CD2 3.47Å; P199-Y202 PolarHBondContact O-N 2.91Å; S200-Y202 PolarHBondContact O-N 3.07Å; Y202-I204 PolarHBondContact O-N 3.17Å; Y202-I205 HydrophobicContact CD1-CD1 4.46Å; Y202-I205 PolarHBondContact O-N 3.45Å; Y202-P447 HydrophobicContact CE1-CB 4.29Å; Y202-P447 HydrophobicContact CE1-CG 4.13Å; Y202-P447 HydrophobicContact CE2-CG 4.36Å; Y202-P447 VanDerWaalsContact CE2-O 3.27Å; Y202-P447 WeakPolarHBondContact CE2-O 3.45Å; Y202-P447 WeakPolarHBondContact OH-CB 3.2Å; Y202-P447 PolarHBondContact OH-O 3Å
203	S	74.5	Confident	74.4	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.014	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-61.2	-13	166.3	78.6	0	0	0	0	112.6	V127 S200 L201 I205 P206 M207	V127-S203 WeakPolarHBondContact CG1-O 3.11Å; V127-S203 WeakPolarHBondContact CG2-OG 3.49Å; S200-S203 WeakPolarHBondContact O-CB 3.31Å; S200-S203 PolarHBondContact O-N 3.27Å; S200-S203 VanDerWaalsContact O-N 3.15Å; S200-S203 PolarHBondContact O-OG 2.93Å; L201-S203 PolarHBondContact O-N 2.85Å; S203-I205 PolarHBondContact O-N 2.77Å; S203-P206 VanDerWaalsContact O-CD 3.26Å; S203-P206 WeakPolarHBondContact O-CD 3.37Å; S203-P206 VanDerWaalsContact O-CG 3.25Å; S203-P206 WeakPolarHBondContact O-CG 3.41Å; S203-M207 PolarHBondContact O-N 3.06Å
204	I	80.8	Confident	75.5	Confident	18 Å²	18	27.1 Å²	27.1	9%	0.092	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-33	170.9	-70.9	174	0	0	0	112.1	V127 Y131 A134 L201 Y202 M207 I208	V127-I204 HydrophobicContact CG1-CB 4.34Å; V127-I204 HydrophobicContact CG1-CG1 3.85Å; Y131-I204 HydrophobicContact CD2-CD1 4.4Å; Y131-I204 HydrophobicContact CD2-CG2 3.52Å; Y131-I204 HydrophobicContact CE2-CG2 4.33Å; Y131-I204 HydrophobicContact CG-CG2 4.07Å; A134-I204 HydrophobicContact CB-CD1 4.15Å; L201-I204 HydrophobicContact CD1-CD1 3.4Å; L201-I204 HydrophobicContact CG-CD1 3.92Å; L201-I204 WeakPolarHBondContact O-CB 3.2Å; L201-I204 VanDerWaalsContact O-CD1 3.28Å; L201-I204 WeakPolarHBondContact O-CD1 3.31Å; L201-I204 WeakPolarHBondContact O-CG1 3.41Å; L201-I204 PolarHBondContact O-N 3.39Å; Y202-I204 PolarHBondContact O-N 3.17Å; I204-M207 HydrophobicContact CB-CE 4.47Å; I204-M207 HydrophobicContact CG2-CE 3.97Å; I204-M207 PolarHBondContact O-N 2.87Å; I204-I208 HydrophobicContact CG2-CD1 3.55Å; I204-I208 HydrophobicContact CG2-CG1 4.05Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.39Å
205	I	82.4	Confident	76.7	Confident	20 Å²	20	27.6 Å²	27.6	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-54.9	-178.5	-60.8	173.5	0	0	0	111	M57 Q187 Y190 I191 Y202 S203 M207 I208 E209	M57-I205 HydrophobicContact SD-CG2 4.26Å; Q187-I205 HydrophobicContact CB-CG2 4.19Å; Y190-I205 HydrophobicContact CD2-CG2 4.23Å; I191-I205 HydrophobicContact CD1-CD1 3.91Å; I191-I205 HydrophobicContact CG1-CD1 4.05Å; I191-I205 HydrophobicContact CG2-CD1 3.83Å; Y202-I205 HydrophobicContact CD1-CD1 4.46Å; Y202-I205 PolarHBondContact O-N 3.45Å; S203-I205 PolarHBondContact O-N 2.77Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 3.29Å; I205-I208 WeakPolarHBondContact O-CB 3.46Å; I205-I208 PolarHBondContact O-N 3.18Å; I205-E209 PolarHBondContact O-N 3.08Å
206	P	82.7	Confident	78.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-33	174.5	18.7	-28.9	0	0	0	114.6	L184 Q187 S203 I208 M210	L184-P206 HydrophobicContact CD2-CB 3.57Å; L184-P206 HydrophobicContact CD2-CG 4.23Å; Q187-P206 HydrophobicContact CG-CB 4.43Å; S203-P206 VanDerWaalsContact O-CD 3.26Å; S203-P206 WeakPolarHBondContact O-CD 3.37Å; S203-P206 VanDerWaalsContact O-CG 3.25Å; S203-P206 WeakPolarHBondContact O-CG 3.41Å; P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; P206-M210 VanDerWaalsContact O-CB 3.3Å; P206-M210 WeakPolarHBondContact O-CB 3.46Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.47Å
207	M	87.5	Confident	80.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-42.4	171.9	177.8	-76.5	-60.3	0	0	111.9	L124 V127 Y128 Y131 S203 I204 I205 M210 M211	L124-M207 HydrophobicContact CD2-CB 3.97Å; L124-M207 HydrophobicContact CD2-CG 4.13Å; V127-M207 HydrophobicContact CB-CB 4.04Å; V127-M207 HydrophobicContact CB-CG 4.16Å; V127-M207 HydrophobicContact CG1-CB 3.5Å; V127-M207 VanDerWaalsContact CG1-CB 3.5Å; V127-M207 HydrophobicContact CG1-CE 4.24Å; V127-M207 HydrophobicContact CG1-CG 3.94Å; Y128-M207 HydrophobicContact CD2-CE 4.35Å; Y128-M207 HydrophobicContact CD2-SD 3.74Å; Y128-M207 HydrophobicContact CG-SD 4.45Å; Y131-M207 HydrophobicContact CD1-CE 3.84Å; Y131-M207 HydrophobicContact CD2-CE 4.32Å; Y131-M207 HydrophobicContact CG-CE 3.59Å; S203-M207 PolarHBondContact O-N 3.06Å; I204-M207 HydrophobicContact CB-CE 4.47Å; I204-M207 HydrophobicContact CG2-CE 3.97Å; I204-M207 PolarHBondContact O-N 2.87Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 3.29Å; M207-M210 PolarHBondContact O-N 3.47Å; M207-M211 HydrophobicContact CG-CG 4.25Å; M207-M211 HydrophobicContact CG-SD 3.71Å; M207-M211 WeakPolarHBondContact O-CB 3.29Å; M207-M211 VanDerWaalsContact O-CG 3.29Å; M207-M211 WeakPolarHBondContact O-CG 3.22Å; M207-M211 PolarHBondContact O-N 2.89Å; M207-M211 HydrophobicContact SD-CB 4.41Å; M207-M211 HydrophobicContact SD-CG 4.09Å; M207-M211 HydrophobicContact SD-SD 3.39Å
208	I	85.2	Confident	82.2	Confident	13 Å²	13	21.6 Å²	21.6	7%	0.067	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-47	179	-74.4	167.6	0	0	0	111.1	M57 M58 Y131 I204 I205 P206 M211 F212	M57-I208 HydrophobicContact CB-CG2 4.06Å; M57-I208 HydrophobicContact SD-CG2 4.46Å; M58-I208 HydrophobicContact CG-CD1 4.22Å; M58-I208 HydrophobicContact CG-CG2 3.56Å; M58-I208 HydrophobicContact SD-CD1 3.84Å; Y131-I208 HydrophobicContact CD2-CD1 4.39Å; Y131-I208 HydrophobicContact CE2-CD1 4.09Å; I204-I208 HydrophobicContact CG2-CD1 3.55Å; I204-I208 HydrophobicContact CG2-CG1 4.05Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.39Å; I205-I208 WeakPolarHBondContact O-CB 3.46Å; I205-I208 PolarHBondContact O-N 3.18Å; P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; I208-M211 PolarHBondContact O-N 3.33Å; I208-F212 HydrophobicContact CB-CD2 4.27Å; I208-F212 HydrophobicContact CG1-CD2 4.37Å; I208-F212 HydrophobicContact CG1-CE2 4.4Å; I208-F212 HydrophobicContact CG2-CD2 4.02Å; I208-F212 WeakPolarHBondContact O-CB 3.43Å; I208-F212 WeakPolarHBondContact O-CD2 3.2Å; I208-F212 PolarHBondContact O-N 2.86Å
209	E	86	Confident	83.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-45.6	-179.8	-67.2	-158.6	141.9	0	0	112	M57 I85 Q187 Y190 I205 M211 G213 V214	M57-E209 HydrophobicContact CG-CG 4.02Å; M57-E209 HydrophobicContact SD-CG 3.54Å; M57-E209 VanDerWaalsContact SD-CG 3.54Å; I85-E209 HydrophobicContact CD1-CB 4.45Å; Q187-E209 PolarHBondContact NE2-OE2 3.27Å; Q187-E209 PolarHBondContact OE1-OE2 2.96Å; Y190-E209 WeakPolarHBondContact CE2-OE1 3.42Å; Y190-E209 PolarHBondContact OH-OE1 2.9Å; I205-E209 PolarHBondContact O-N 3.08Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 3.23Å; E209-G213 WeakPolarHBondContact O-CA 3.31Å; E209-G213 PolarHBondContact O-N 3.43Å; E209-V214 HydrophobicContact CB-CG2 4.47Å; E209-V214 HydrophobicContact CG-CG2 4.25Å
210	M	85.2	Confident	85.6	Confident	15 Å²	15	21.6 Å²	21.6	7%	0.074	11%	0.106	C	C	.	.	H	α-helix	trans	-70.2	-32.2	-177.8	-62.3	-72.7	169.1	0	0	112	I85 V98 L105 F120 L124 P206 M207	I85-M210 HydrophobicContact CD1-SD 4.03Å; V98-M210 HydrophobicContact CG1-CE 3.65Å; V98-M210 HydrophobicContact CG1-SD 3.96Å; L105-M210 HydrophobicContact CD1-SD 4.14Å; L105-M210 HydrophobicContact CD2-SD 4.07Å; F120-M210 HydrophobicContact CZ-CE 4.48Å; F120-M210 HydrophobicContact CZ-CG 4.05Å; F120-M210 HydrophobicContact CZ-SD 4.04Å; L124-M210 HydrophobicContact CD1-CB 4.24Å; L124-M210 HydrophobicContact CD2-CB 4.15Å; P206-M210 VanDerWaalsContact O-CB 3.3Å; P206-M210 WeakPolarHBondContact O-CB 3.46Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.47Å; M207-M210 PolarHBondContact O-N 3.47Å
211	M	84.7	Confident	87.2	Confident	88 Å²	88	21.7 Å²	21.7	43%	0.433	11%	0.106	S	C	.	.	H	α-helix	trans	-88.5	-38.9	-178.7	-71.2	-169.5	60.6	0	0	114.1	Y128 M207 I208 E209	Y128-M211 HydrophobicContact CD2-CE 3.5Å; Y128-M211 HydrophobicContact CD2-SD 3.57Å; Y128-M211 VanDerWaalsContact CD2-SD 3.57Å; Y128-M211 HydrophobicContact CE2-CE 3.78Å; Y128-M211 HydrophobicContact CE2-SD 4.37Å; Y128-M211 HydrophobicContact CG-CE 4.09Å; Y128-M211 HydrophobicContact CG-SD 4.08Å; M207-M211 HydrophobicContact CG-CG 4.25Å; M207-M211 HydrophobicContact CG-SD 3.71Å; M207-M211 WeakPolarHBondContact O-CB 3.29Å; M207-M211 VanDerWaalsContact O-CG 3.29Å; M207-M211 WeakPolarHBondContact O-CG 3.22Å; M207-M211 PolarHBondContact O-N 2.89Å; M207-M211 HydrophobicContact SD-CB 4.41Å; M207-M211 HydrophobicContact SD-CG 4.09Å; M207-M211 HydrophobicContact SD-SD 3.39Å; I208-M211 PolarHBondContact O-N 3.33Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 3.23Å
212	F	85.5	Confident	88.7	Confident	64 Å²	64	21.3 Å²	21.3	28%	0.281	10%	0.103	S	C	.	.	H	α-helix	trans	-103.5	-9.7	-175.6	-58.8	-73.2	0	0	0	112.9	Q81 Y128 I208 H215	Q81-F212 PolarHBondContact NE2-O 3.45Å; Y128-F212 HydrophobicContact CE2-CZ 4.19Å; I208-F212 HydrophobicContact CB-CD2 4.27Å; I208-F212 HydrophobicContact CG1-CD2 4.37Å; I208-F212 HydrophobicContact CG1-CE2 4.4Å; I208-F212 HydrophobicContact CG2-CD2 4.02Å; I208-F212 WeakPolarHBondContact O-CB 3.43Å; I208-F212 WeakPolarHBondContact O-CD2 3.2Å; I208-F212 PolarHBondContact O-N 2.86Å; F212-H215 PolarHBondContact O-CE1 3.11Å
213	G	90	Very high	89.8	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.01	10%	0.1	C	C	.	.			trans	70.6	170.7	-174.8	0	0	0	0	0	113.3	E209	E209-G213 WeakPolarHBondContact O-CA 3.31Å; E209-G213 PolarHBondContact O-N 3.43Å
214	V	93.1	Very high	90.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.1	C	C	.	.			trans	-101	143.9	171	176.3	0	0	0	0	109.4	I55 L82 I85 E209	I55-V214 HydrophobicContact CG2-CG1 3.75Å; I55-V214 HydrophobicContact CG2-CG2 4Å; L82-V214 WeakPolarHBondContact CB-O 3.24Å; L82-V214 HydrophobicContact CD1-CB 4.36Å; L82-V214 HydrophobicContact CD1-CG1 3.82Å; L82-V214 PolarHBondContact N-O 2.81Å; I85-V214 HydrophobicContact CB-CG2 4.46Å; I85-V214 HydrophobicContact CG2-CB 4.36Å; I85-V214 HydrophobicContact CG2-CG2 3.58Å; E209-V214 HydrophobicContact CB-CG2 4.47Å; E209-V214 HydrophobicContact CG-CG2 4.25Å
215	H	96	Very high	91.7	Very high	19 Å²	19	19.2 Å²	19.2	9%	0.088	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	168.2	-179.9	-63.6	64.3	0	0	0	110.9	V56 L79 R80 Q81 F212	V56-H215 HydrophobicContact CB-CB 3.96Å; V56-H215 VanDerWaalsContact CB-O 3.29Å; V56-H215 WeakPolarHBondContact CB-O 3.15Å; V56-H215 HydrophobicContact CG1-CB 3.99Å; V56-H215 WeakPolarHBondContact CG2-O 3.37Å; V56-H215 PolarHBondContact O-N 2.84Å; L79-H215 HydrophobicContact CD1-CB 3.65Å; L79-H215 HydrophobicContact CG-CB 4.15Å; R80-H215 CarbonylContact O-C 3.47Å; R80-H215 WeakPolarHBondContact O-CA 3.48Å; R80-H215 WeakPolarHBondContact O-CB 3.49Å; Q81-H215 VanDerWaalsContact CA-CD2 3.49Å; Q81-H215 WeakPolarHBondContact CA-CD2 3.35Å; F212-H215 PolarHBondContact O-CE1 3.11Å
216	F	97	Very high	92.5	Very high	11 Å²	11	23 Å²	23	5%	0.048	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.7	170.7	-179.5	-92.9	0	0	0	109.8	R80 L82 L326 Y356 A361 D362 L365	R80-F216 PolarHBondContact N-O 3.02Å; R80-F216 PolarHBondContact O-N 2.73Å; L82-F216 HydrophobicContact CD2-CB 3.86Å; L82-F216 HydrophobicContact CG-CB 4.34Å; F216-L326 HydrophobicContact CB-CD2 4.41Å; F216-L326 HydrophobicContact CD2-CD1 4.34Å; F216-L326 HydrophobicContact CD2-CD2 3.77Å; F216-L326 HydrophobicContact CE2-CD1 4.31Å; F216-L326 HydrophobicContact CG-CD2 4.45Å; F216-Y356 WeakPolarHBondContact CE2-OH 3.45Å; F216-A361 HydrophobicContact CB-CB 4.27Å; F216-A361 HydrophobicContact CD1-CB 3.68Å; F216-A361 HydrophobicContact CD2-CB 3.61Å; F216-A361 HydrophobicContact CE1-CB 3.81Å; F216-A361 HydrophobicContact CE2-CB 3.71Å; F216-A361 HydrophobicContact CG-CB 3.58Å; F216-A361 HydrophobicContact CZ-CB 3.82Å; F216-D362 HydrophobicContact CE1-CB 3.61Å; F216-D362 HydrophobicContact CZ-CB 3.61Å; F216-L365 HydrophobicContact CZ-CD1 4.01Å
217	I	97.6	Very high	93.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129	173.4	-64.2	171.5	0	0	0	107.2	V56 Y62 E78 L79 G219 G220 M221 M224	V56-I217 HydrophobicContact CG1-CD1 4.32Å; V56-I217 HydrophobicContact CG2-CD1 3.96Å; V56-I217 HydrophobicContact CG2-CG1 3.93Å; Y62-I217 HydrophobicContact CD1-CD1 3.99Å; Y62-I217 HydrophobicContact CE1-CD1 4.1Å; E78-I217 WeakPolarHBondContact O-CA 3.46Å; L79-I217 HydrophobicContact CD1-CD1 4.19Å; L79-I217 HydrophobicContact CD1-CG1 3.44Å; L79-I217 VanDerWaalsContact CD1-CG1 3.44Å; I217-G219 PolarHBondContact O-N 3.14Å; I217-G220 CarbonylContact O-C 3.59Å; I217-G220 WeakPolarHBondContact O-CA 3.44Å; I217-G220 PolarHBondContact O-N 2.8Å; I217-M221 HydrophobicContact CD1-SD 4.31Å; I217-M224 HydrophobicContact CD1-CB 3.83Å
218	K	96.7	Very high	93.7	Very high	111 Å²	111	23.1 Å²	23.1	48%	0.483	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.2	176.8	-176.9	170.9	178.4	178.9	0	111.5	E78	E78-K218 HydrophobicContact CB-CB 3.85Å; E78-K218 HydrophobicContact CB-CD 4.3Å; E78-K218 PolarHBondContact O-N 2.81Å; E78-K218 WeakPolarHBondContact OE2-CD 3.22Å; E78-K218 IonicContact OE2-NZ 3.53Å; E78-K218 PolarHBondContact OE2-NZ 2.81Å; E78-K218 VanDerWaalsContact OE2-NZ 3.15Å
219	G	96.2	Very high	94.4	Very high	17 Å²	17	23.5 Å²	23.5	18%	0.175	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	13.8	-171.4	0	0	0	0	0	113.5	Q41 I217 D362	Q41-G219 PolarHBondContact NE2-O 3.34Å; I217-G219 PolarHBondContact O-N 3.14Å; G219-D362 PolarHBondContact N-OD2 3.31Å
220	G	96	Very high	95	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	78.5	-170.5	-178	0	0	0	0	0	113.1	D50 I217 Y222 G223	D50-G220 VanDerWaalsContact OD2-CA 3.24Å; D50-G220 WeakPolarHBondContact OD2-CA 3.18Å; I217-G220 CarbonylContact O-C 3.59Å; I217-G220 WeakPolarHBondContact O-CA 3.44Å; I217-G220 PolarHBondContact O-N 2.8Å; G220-Y222 PolarHBondContact O-N 3.03Å; G220-G223 PolarHBondContact O-N 2.93Å
221	M	96	Very high	95.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.5	179.6	-82	-71.2	-93.3	0	0	112.4	M39 D50 P53 V56 Y62 I217 G223 M224 V480	M39-M221 HydrophobicContact CE-CB 4.43Å; M39-M221 HydrophobicContact CE-CE 3.56Å; M39-M221 HydrophobicContact CE-SD 4.13Å; M39-M221 HydrophobicContact CG-CB 4.14Å; M39-M221 VanDerWaalsContact CG-O 3.31Å; M39-M221 WeakPolarHBondContact CG-O 3.43Å; D50-M221 VanDerWaalsContact CG-N 3.3Å; D50-M221 PolarHBondContact OD1-N 3.43Å; D50-M221 PolarHBondContact OD2-N 2.68Å; P53-M221 HydrophobicContact CB-CE 3.58Å; P53-M221 HydrophobicContact CG-CB 4.44Å; P53-M221 HydrophobicContact CG-CE 3.78Å; P53-M221 WeakPolarHBondContact O-CB 3.49Å; P53-M221 WeakPolarHBondContact O-CG 3.49Å; V56-M221 HydrophobicContact CG2-SD 3.44Å; V56-M221 WeakPolarHBondContact CG2-SD 3.44Å; Y62-M221 HydrophobicContact CE1-CE 4.42Å; I217-M221 HydrophobicContact CD1-SD 4.31Å; M221-G223 PolarHBondContact O-N 3.26Å; M221-G223 VanDerWaalsContact O-N 3.16Å; M221-M224 WeakPolarHBondContact O-CB 3.34Å; M221-M224 PolarHBondContact O-N 3.49Å; M221-V480 HydrophobicContact CE-CB 4.23Å; M221-V480 HydrophobicContact CE-CG1 4.32Å; M221-V480 HydrophobicContact CE-CG2 3.71Å
222	Y	96.9	Very high	96.3	Very high	28 Å²	28	22.4 Å²	22.4	11%	0.11	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-24.1	172.3	-167.5	-119.3	0	0	0	114.2	N34 V35 M39 Q41 D50 G220 M224 A225 Q226	N34-Y222 PolarHBondContact ND2-OH 3.43Å; V35-Y222 WeakPolarHBondContact O-CE2 3.38Å; M39-Y222 VanDerWaalsContact O-CD2 3.3Å; M39-Y222 WeakPolarHBondContact O-CD2 3.05Å; Q41-Y222 HydrophobicContact CB-CD1 4.43Å; Q41-Y222 HydrophobicContact CB-CG 4.38Å; Q41-Y222 HydrophobicContact CG-CD1 4.22Å; Q41-Y222 HydrophobicContact CG-CG 3.98Å; D50-Y222 PolarHBondContact OD1-N 3.15Å; G220-Y222 PolarHBondContact O-N 3.03Å; Y222-M224 PolarHBondContact O-N 2.97Å; Y222-A225 HydrophobicContact CD2-CB 3.92Å; Y222-A225 HydrophobicContact CE2-CB 4.18Å; Y222-A225 WeakPolarHBondContact O-CB 3.39Å; Y222-A225 PolarHBondContact O-N 3.47Å; Y222-Q226 HydrophobicContact CD1-CG 3.75Å; Y222-Q226 HydrophobicContact CE1-CG 3.61Å; Y222-Q226 HydrophobicContact CG-CG 4.44Å; Y222-Q226 WeakPolarHBondContact O-CG 3.33Å; Y222-Q226 PolarHBondContact O-N 3.16Å
223	G	97	Very high	96.9	Very high	8 Å²	8	26.4 Å²	26.4	8%	0.082	13%	0.13	C	C	.	.	H	α-helix	trans	-55.6	-34.3	172.1	0	0	0	0	0	112.7	G220 M221 Q226 G227	G220-G223 PolarHBondContact O-N 2.93Å; M221-G223 PolarHBondContact O-N 3.26Å; M221-G223 VanDerWaalsContact O-N 3.16Å; G223-Q226 PolarHBondContact O-N 3.42Å; G223-G227 PolarHBondContact O-N 3.01Å
224	M	97.4	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.6	-44	172.9	179.9	60.6	178.4	0	0	112.2	M39 Y62 F66 I77 I217 M221 Y222 Q226 G227 L228 L484	M39-M224 HydrophobicContact CE-CB 4.25Å; M39-M224 HydrophobicContact CE-CG 4.36Å; M39-M224 HydrophobicContact SD-CB 3.69Å; M39-M224 HydrophobicContact SD-CG 4.08Å; Y62-M224 HydrophobicContact CD1-CE 3.97Å; Y62-M224 HydrophobicContact CD1-CG 3.94Å; Y62-M224 HydrophobicContact CD1-SD 3.89Å; Y62-M224 HydrophobicContact CE1-CG 4.34Å; Y62-M224 HydrophobicContact CG-CE 4.41Å; F66-M224 HydrophobicContact CE2-CE 3.91Å; F66-M224 HydrophobicContact CE2-SD 3.99Å; F66-M224 HydrophobicContact CZ-CE 4.35Å; F66-M224 HydrophobicContact CZ-SD 4.17Å; I77-M224 HydrophobicContact CD1-SD 3.99Å; I77-M224 HydrophobicContact CG2-SD 4.06Å; I217-M224 HydrophobicContact CD1-CB 3.83Å; M221-M224 WeakPolarHBondContact O-CB 3.34Å; M221-M224 PolarHBondContact O-N 3.49Å; Y222-M224 PolarHBondContact O-N 2.97Å; M224-Q226 VanDerWaalsContact C-N 3.3Å; M224-Q226 PolarHBondContact O-N 3.17Å; M224-G227 PolarHBondContact O-N 2.85Å; M224-L228 HydrophobicContact CE-CD1 3.92Å; M224-L228 HydrophobicContact CE-CD2 3.91Å; M224-L228 HydrophobicContact CE-CG 3.86Å; M224-L228 HydrophobicContact CG-CD1 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.43Å; M224-L228 PolarHBondContact O-N 2.96Å; M224-L228 HydrophobicContact SD-CG 4.32Å; M224-L484 HydrophobicContact CE-CD1 4.18Å
225	A	97.6	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-40.9	176.7	0	0	0	0	0	111.3	M39 Y222 L228 A229	M39-A225 HydrophobicContact CG-CB 4.27Å; M39-A225 HydrophobicContact SD-CB 4.06Å; Y222-A225 HydrophobicContact CD2-CB 3.92Å; Y222-A225 HydrophobicContact CE2-CB 4.18Å; Y222-A225 WeakPolarHBondContact O-CB 3.39Å; Y222-A225 PolarHBondContact O-N 3.47Å; A225-L228 PolarHBondContact O-N 3.18Å; A225-A229 WeakPolarHBondContact O-CB 3.08Å; A225-A229 PolarHBondContact O-N 2.8Å
226	Q	97.6	Very high	97.7	Very high	99 Å²	99	34.3 Å²	34.3	46%	0.463	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-45.1	175.1	-67.5	-177	-57.7	0	0	112.2	Y222 G223 M224 L228 A229 Q230	Y222-Q226 HydrophobicContact CD1-CG 3.75Å; Y222-Q226 HydrophobicContact CE1-CG 3.61Å; Y222-Q226 HydrophobicContact CG-CG 4.44Å; Y222-Q226 WeakPolarHBondContact O-CG 3.33Å; Y222-Q226 PolarHBondContact O-N 3.16Å; G223-Q226 PolarHBondContact O-N 3.42Å; M224-Q226 VanDerWaalsContact C-N 3.3Å; M224-Q226 PolarHBondContact O-N 3.17Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.34Å; Q226-A229 WeakPolarHBondContact O-CB 3.22Å; Q226-A229 PolarHBondContact O-N 3.2Å; Q226-Q230 PolarHBondContact O-N 2.95Å
227	G	98.4	Very high	97.8	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-44	175.5	0	0	0	0	0	112.3	Y76 G223 M224 Q230 L231	Y76-G227 WeakPolarHBondContact CD1-O 3.36Å; Y76-G227 WeakPolarHBondContact O-CA 2.98Å; G223-G227 PolarHBondContact O-N 3.01Å; M224-G227 PolarHBondContact O-N 2.85Å; G227-Q230 PolarHBondContact O-N 3.15Å; G227-L231 WeakPolarHBondContact O-CB 3.28Å; G227-L231 PolarHBondContact O-N 2.83Å
228	L	98.6	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-36.4	175	-70.1	178.6	0	0	0	113	V10 L13 A14 V65 F66 M224 A225 Q226 L231 N232	V10-L228 HydrophobicContact CB-CD1 4.18Å; V10-L228 HydrophobicContact CG1-CD1 4.2Å; L13-L228 HydrophobicContact CB-CB 3.81Å; L13-L228 HydrophobicContact CB-CD1 4.01Å; L13-L228 HydrophobicContact CD1-CB 4.09Å; A14-L228 HydrophobicContact CB-CD1 4.39Å; V65-L228 HydrophobicContact CB-CD2 4.18Å; V65-L228 HydrophobicContact CG1-CD2 3.56Å; F66-L228 HydrophobicContact CE1-CD2 4.34Å; F66-L228 HydrophobicContact CE2-CD2 4.41Å; F66-L228 HydrophobicContact CZ-CD2 3.96Å; F66-L228 HydrophobicContact CZ-CG 4.44Å; M224-L228 HydrophobicContact CE-CD1 3.92Å; M224-L228 HydrophobicContact CE-CD2 3.91Å; M224-L228 HydrophobicContact CE-CG 3.86Å; M224-L228 HydrophobicContact CG-CD1 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.43Å; M224-L228 PolarHBondContact O-N 2.96Å; M224-L228 HydrophobicContact SD-CG 4.32Å; A225-L228 PolarHBondContact O-N 3.18Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.34Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-N232 PolarHBondContact O-N 3.28Å; L228-N232 PolarHBondContact O-ND2 3.03Å
229	A	98.5	Very high	97.9	Very high	22 Å²	22	34.8 Å²	34.8	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-42.3	175.9	0	0	0	0	0	111.5	V35 A225 Q226 N232 K233	V35-A229 HydrophobicContact CG2-CB 3.91Å; A225-A229 WeakPolarHBondContact O-CB 3.08Å; A225-A229 PolarHBondContact O-N 2.8Å; Q226-A229 WeakPolarHBondContact O-CB 3.22Å; Q226-A229 PolarHBondContact O-N 3.2Å; A229-N232 PolarHBondContact O-N 2.86Å; A229-K233 PolarHBondContact O-N 3.1Å
230	Q	98.5	Very high	98	Very high	81 Å²	81	36 Å²	36	38%	0.379	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-41.2	174.8	-174.4	58.4	52.9	0	0	111.5	Y76 Q226 G227 N232 K233 D234	Y76-Q230 HydrophobicContact CD1-CB 4.06Å; Y76-Q230 HydrophobicContact CD1-CG 4.09Å; Y76-Q230 HydrophobicContact CE1-CB 4.31Å; Y76-Q230 HydrophobicContact CE1-CG 4.02Å; Q226-Q230 PolarHBondContact O-N 2.95Å; G227-Q230 PolarHBondContact O-N 3.15Å; Q230-N232 VanDerWaalsContact C-N 3.33Å; Q230-N232 PolarHBondContact O-N 3.35Å; Q230-K233 WeakPolarHBondContact O-CB 3.4Å; Q230-K233 PolarHBondContact O-N 3.14Å; Q230-D234 PolarHBondContact NE2-OD1 2.67Å; Q230-D234 VanDerWaalsContact O-CG 3.3Å; Q230-D234 PolarHBondContact O-N 3.49Å
231	L	98.7	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-45.9	173.1	174.8	63.9	0	0	0	111.9	A17 V65 F66 C69 K71 Y76 G227 L228 K233 D234 L235	A17-L231 HydrophobicContact CB-CD2 3.67Å; A17-L231 HydrophobicContact CB-CG 3.95Å; V65-L231 HydrophobicContact CG1-CD2 4.37Å; F66-L231 HydrophobicContact CD1-CB 4.37Å; F66-L231 HydrophobicContact CD1-CD1 4.46Å; F66-L231 HydrophobicContact CD1-CD2 3.75Å; F66-L231 HydrophobicContact CD1-CG 4.42Å; F66-L231 HydrophobicContact CE1-CB 4.16Å; F66-L231 HydrophobicContact CE1-CD2 4.03Å; F66-L231 HydrophobicContact CG-CD2 4.46Å; C69-L231 HydrophobicContact CB-CD1 4.23Å; K71-L231 HydrophobicContact CB-CD1 4.21Å; K71-L231 HydrophobicContact CG-CD1 3.65Å; Y76-L231 HydrophobicContact CD1-CB 4.03Å; Y76-L231 VanDerWaalsContact CE1-CA 3.46Å; Y76-L231 HydrophobicContact CE1-CB 3.88Å; Y76-L231 HydrophobicContact CE1-CD1 4.35Å; Y76-L231 HydrophobicContact CE2-CD1 4.38Å; G227-L231 WeakPolarHBondContact O-CB 3.28Å; G227-L231 PolarHBondContact O-N 2.83Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 PolarHBondContact O-N 3.13Å; L231-K233 PolarHBondContact O-N 2.93Å; L231-D234 PolarHBondContact O-N 3.31Å; L231-L235 HydrophobicContact CD1-CD1 3.91Å; L231-L235 HydrophobicContact CD1-CG 4.34Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 WeakPolarHBondContact O-CG 3.32Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-L235 VanDerWaalsContact O-N 3.09Å
232	N	98.8	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-43.5	177.2	-86.1	-83.1	0	0	0	111.9	L13 A16 A17 L228 A229 Q230 D234 L235 G236 V237 I239	L13-N232 PolarHBondContact O-ND2 3.01Å; A16-N232 WeakPolarHBondContact CB-OD1 3.39Å; A17-N232 PolarHBondContact N-OD1 3.4Å; A17-N232 VanDerWaalsContact N-OD1 3.13Å; L228-N232 PolarHBondContact O-N 3.28Å; L228-N232 PolarHBondContact O-ND2 3.03Å; A229-N232 PolarHBondContact O-N 2.86Å; Q230-N232 VanDerWaalsContact C-N 3.33Å; Q230-N232 PolarHBondContact O-N 3.35Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 2.99Å; N232-L235 CarbonylContact O-C 3.51Å; N232-L235 PolarHBondContact O-N 2.73Å; N232-G236 PolarHBondContact O-N 2.86Å; N232-V237 HydrophobicContact CB-CB 3.94Å; N232-V237 HydrophobicContact CB-CG1 4.33Å; N232-V237 HydrophobicContact CB-CG2 4.27Å; N232-V237 WeakPolarHBondContact O-CB 3.11Å; N232-V237 PolarHBondContact O-N 2.76Å; N232-V237 WeakPolarHBondContact OD1-CG2 3.41Å; N232-I239 HydrophobicContact CB-CD1 4.11Å
233	K	98.4	Very high	98.1	Very high	147 Å²	147	42.6 Å²	42.6	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-59.7	-43.7	175.6	-176.9	179.7	175.7	-176.2	0	111.9	A229 Q230 L231 L235 G236	A229-K233 PolarHBondContact O-N 3.1Å; Q230-K233 WeakPolarHBondContact O-CB 3.4Å; Q230-K233 PolarHBondContact O-N 3.14Å; L231-K233 PolarHBondContact O-N 2.93Å; K233-L235 PolarHBondContact O-N 3.1Å; K233-G236 PolarHBondContact O-N 2.98Å; K233-G236 VanDerWaalsContact O-N 3.09Å
234	D	98.3	Very high	98	Very high	76 Å²	76	47.1 Å²	47.1	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-27.2	178.9	-68.1	-9	0	0	0	113	Y76 Q230 L231 N232 G236	Y76-D234 VanDerWaalsContact CE1-OD2 3.24Å; Y76-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y76-D234 VanDerWaalsContact CZ-OD2 3.32Å; Y76-D234 PolarHBondContact OH-OD2 2.7Å; Q230-D234 PolarHBondContact NE2-OD1 2.67Å; Q230-D234 VanDerWaalsContact O-CG 3.3Å; Q230-D234 PolarHBondContact O-N 3.49Å; L231-D234 PolarHBondContact O-N 3.31Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 2.99Å; D234-G236 VanDerWaalsContact C-N 3.31Å
235	L	98.4	Very high	97.9	Very high	45 Å²	45	47.7 Å²	47.7	24%	0.236	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.4	175.3	-67.1	170	0	0	0	113	A17 A20 C69 L231 N232 K233 V237	A17-L235 HydrophobicContact CB-CD1 3.9Å; A17-L235 WeakPolarHBondContact O-CD1 3.19Å; A20-L235 HydrophobicContact CB-CB 4.01Å; C69-L235 HydrophobicContact CB-CD1 4.19Å; L231-L235 HydrophobicContact CD1-CD1 3.91Å; L231-L235 HydrophobicContact CD1-CG 4.34Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 WeakPolarHBondContact O-CG 3.32Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-L235 VanDerWaalsContact O-N 3.09Å; N232-L235 CarbonylContact O-C 3.51Å; N232-L235 PolarHBondContact O-N 2.73Å; K233-L235 PolarHBondContact O-N 3.1Å; L235-V237 HydrophobicContact CB-CG2 4.43Å
236	G	98.4	Very high	97.9	Very high	67 Å²	67	51.6 Å²	51.6	69%	0.691	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	19.4	178	0	0	0	0	0	114.6	N232 K233 D234	N232-G236 PolarHBondContact O-N 2.86Å; K233-G236 PolarHBondContact O-N 2.98Å; K233-G236 VanDerWaalsContact O-N 3.09Å; D234-G236 VanDerWaalsContact C-N 3.31Å
237	V	98.8	Very high	97.8	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	27%	0.268	C	S	.	.			trans	-72.1	132.5	175.7	178	0	0	0	0	110.1	A16 A20 V26 I28 N232 L235 I239	A16-V237 HydrophobicContact CB-CG1 4.3Å; A20-V237 HydrophobicContact CB-CG2 3.39Å; V26-V237 HydrophobicContact CB-CG1 4.09Å; V26-V237 HydrophobicContact CB-CG2 4.16Å; V26-V237 HydrophobicContact CG1-CG1 4.09Å; I28-V237 HydrophobicContact CD1-CG1 3.93Å; I28-V237 HydrophobicContact CG1-CG1 3.75Å; N232-V237 HydrophobicContact CB-CB 3.94Å; N232-V237 HydrophobicContact CB-CG1 4.33Å; N232-V237 HydrophobicContact CB-CG2 4.27Å; N232-V237 WeakPolarHBondContact O-CB 3.11Å; N232-V237 PolarHBondContact O-N 2.76Å; N232-V237 WeakPolarHBondContact OD1-CG2 3.41Å; L235-V237 HydrophobicContact CB-CG2 4.43Å; V237-I239 HydrophobicContact CG1-CG1 4.41Å
238	N	98.5	Very high	97.8	Very high	75 Å²	75	50 Å²	50	40%	0.401	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.1	172.4	-176.4	33.4	0	0	0	109.9	V26 T27 I28 E240	V26-N238 PolarHBondContact O-N 3.02Å; V26-N238 VanDerWaalsContact O-N 3.1Å; T27-N238 CarbonylContact C-O 3.59Å; T27-N238 VanDerWaalsContact CA-O 3.3Å; T27-N238 WeakPolarHBondContact CA-O 3.41Å; T27-N238 HydrophobicContact CG2-CB 4.2Å; I28-N238 PolarHBondContact N-O 3.34Å; N238-E240 PolarHBondContact ND2-OE1 2.82Å; N238-E240 VanDerWaalsContact ND2-OE1 3.09Å
239	I	98.5	Very high	97.8	Very high	46 Å²	46	52 Å²	52	24%	0.236	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.3	176.9	-53.6	-177.7	0	0	0	108.2	L13 I28 V35 N232 V237 L241	L13-I239 HydrophobicContact CD2-CD1 4.23Å; I28-I239 HydrophobicContact CB-CG1 4.39Å; I28-I239 HydrophobicContact CB-CG2 4.41Å; I28-I239 HydrophobicContact CD1-CD1 4.29Å; I28-I239 HydrophobicContact CD1-CG1 4.07Å; I28-I239 HydrophobicContact CG1-CG1 4.43Å; V35-I239 HydrophobicContact CG1-CG2 3.96Å; N232-I239 HydrophobicContact CB-CD1 4.11Å; V237-I239 HydrophobicContact CG1-CG1 4.41Å; I239-L241 HydrophobicContact CG2-CD2 4.08Å; I239-L241 HydrophobicContact CG2-CG 4.5Å
240	E	98.2	Very high	97.8	Very high	43 Å²	43	51.1 Å²	51.1	20%	0.201	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.9	177	-67	-172.2	-147.6	0	0	110.1	T27 I28 F29 E30 N238 A243 R267	T27-E240 HydrophobicContact CG2-CG 4.21Å; I28-E240 PolarHBondContact O-N 3.34Å; F29-E240 HydrophobicContact CD1-CB 4.12Å; F29-E240 HydrophobicContact CE1-CB 4.36Å; E30-E240 PolarHBondContact N-O 2.92Å; N238-E240 PolarHBondContact ND2-OE1 2.82Å; N238-E240 VanDerWaalsContact ND2-OE1 3.09Å; E240-A243 HydrophobicContact CB-CB 4.05Å; E240-A243 WeakPolarHBondContact O-CB 3.34Å; E240-R267 IonicContact OE1-CZ 2.8Å; E240-R267 IonicContact OE1-NH1 3.92Å; E240-R267 PolarHBondContact OE1-NH1 2.91Å; E240-R267 IonicContact OE2-CZ 3.5Å; E240-R267 VanDerWaalsContact OE2-CZ 3.25Å; E240-R267 IonicContact OE2-NH1 3.25Å; E240-R267 PolarHBondContact OE2-NH1 3.15Å; E240-R267 IonicContact OE2-NH2 2.91Å; E240-R267 PolarHBondContact OE2-NH2 3.2Å
241	L	97.6	Very high	97.6	Very high	69 Å²	69	49.2 Å²	49.2	36%	0.361	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	160.3	175.6	-56.8	172.8	0	0	0	110.1	E30 N33 V35 I239 A243	E30-L241 HydrophobicContact CB-CD2 3.93Å; E30-L241 HydrophobicContact CG-CD2 3.96Å; E30-L241 CarbonylContact O-C 3.54Å; E30-L241 WeakPolarHBondContact O-CA 3.4Å; N33-L241 WeakPolarHBondContact O-CD1 3.33Å; V35-L241 HydrophobicContact CG1-CD2 3.94Å; I239-L241 HydrophobicContact CG2-CD2 4.08Å; I239-L241 HydrophobicContact CG2-CG 4.5Å; L241-A243 PolarHBondContact O-N 2.79Å
242	N	96.5	Very high	97.4	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	29%	0.29	S	S	.	.	S	Bend	trans	53.6	38.2	-172.8	-44.8	-75.8	0	0	0	112.1	E30 K31 N32 N33 N263	E30-N242 PolarHBondContact O-N 3.49Å; K31-N242 WeakPolarHBondContact O-CA 3.03Å; N32-N242 PolarHBondContact O-N 3.26Å; N33-N242 WeakPolarHBondContact CB-OD1 3.28Å; N242-N263 PolarHBondContact O-ND2 3.5Å; N242-N263 PolarHBondContact O-OD1 2.91Å
243	A	96.8	Very high	97.1	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.017	33%	0.325	C	S	.	.			trans	-121.4	75	-176.7	0	0	0	0	0	109.1	F29 E30 E240 L241 I245 V262	F29-A243 HydrophobicContact CB-CB 4.35Å; F29-A243 HydrophobicContact CD1-CB 3.93Å; E30-A243 PolarHBondContact O-N 3.25Å; E240-A243 HydrophobicContact CB-CB 4.05Å; E240-A243 WeakPolarHBondContact O-CB 3.34Å; L241-A243 PolarHBondContact O-N 2.79Å; A243-I245 PolarHBondContact O-N 2.59Å; A243-V262 HydrophobicContact CB-CG2 3.79Å
244	E	94.5	Very high	96.9	Very high	103 Å²	103	60.1 Å²	60.1	48%	0.481	32%	0.319	S	S	.	.			trans	-73.2	124.1	177.9	-171.4	169.5	-172.8	0	0	110	K31 E246 H436	K31-E244 HydrophobicContact CB-CB 3.88Å; K31-E244 HydrophobicContact CB-CG 4.03Å; E244-E246 PolarHBondContact O-N 2.79Å; E244-H436 IonicContact OE1-NE2 3.79Å
245	I	97	Very high	96.7	Very high	12 Å²	12	62 Å²	62	6%	0.062	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.9	175.2	-57.3	-51.8	0	0	0	108.3	I6 F29 A243 I260 V262 L285	I6-I245 HydrophobicContact CB-CG1 4.28Å; I6-I245 HydrophobicContact CD1-CG1 4.2Å; I6-I245 HydrophobicContact CD1-CG2 4.2Å; I6-I245 HydrophobicContact CG1-CG1 3.97Å; I6-I245 HydrophobicContact CG2-CB 4.16Å; I6-I245 HydrophobicContact CG2-CG1 3.52Å; F29-I245 HydrophobicContact CB-CD1 3.73Å; F29-I245 HydrophobicContact CB-CG1 4.26Å; F29-I245 HydrophobicContact CD1-CD1 4.36Å; F29-I245 HydrophobicContact CD2-CD1 4.45Å; F29-I245 HydrophobicContact CG-CD1 3.93Å; A243-I245 PolarHBondContact O-N 2.59Å; I245-I260 HydrophobicContact CD1-CB 4.36Å; I245-I260 HydrophobicContact CD1-CD1 3.76Å; I245-V262 HydrophobicContact CD1-CB 3.69Å; I245-V262 HydrophobicContact CD1-CG2 3.78Å; I245-L285 HydrophobicContact CG2-CD1 4.44Å; I245-L285 WeakPolarHBondContact O-CD2 3.36Å
246	E	96.2	Very high	96.6	Very high	82 Å²	82	63.3 Å²	63.3	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-34.1	176.4	-63.8	170.9	-137.3	0	0	111.3	E244 K261 G264	E244-E246 PolarHBondContact O-N 2.79Å; E246-K261 HydrophobicContact CB-CB 4.39Å; E246-K261 HydrophobicContact CB-CD 4.16Å; E246-K261 HydrophobicContact CB-CG 4.32Å; E246-K261 PolarHBondContact N-O 2.91Å; E246-K261 WeakPolarHBondContact OE2-CD 3.45Å; E246-K261 WeakPolarHBondContact OE2-CE 3.29Å; E246-K261 IonicContact OE2-NZ 3.28Å; E246-K261 PolarHBondContact OE2-NZ 3.15Å; E246-G264 PolarHBondContact OE1-N 3.04Å
247	Q	97.3	Very high	96.6	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	143.2	-175.9	-169.6	170.6	54.8	0	0	112.7	I260 K261 L285	Q247-I260 WeakPolarHBondContact O-CA 3.36Å; Q247-K261 HydrophobicContact CB-CB 4.11Å; Q247-K261 PolarHBondContact O-N 3.33Å; Q247-L285 CarbonylContact C-O 3.33Å; Q247-L285 WeakPolarHBondContact CA-O 3.49Å
248	I	98.1	Very high	96.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.1	163.1	-60.4	175.6	0	0	0	108	I6 I250 A257 I272 C274 V281 L285 M286 P287 L467	I6-I248 HydrophobicContact CD1-CD1 3.99Å; I6-I248 HydrophobicContact CD1-CG1 3.9Å; I248-I250 HydrophobicContact CG2-CD1 3.99Å; I248-A257 HydrophobicContact CG2-CB 4.38Å; I248-I272 HydrophobicContact CG2-CD1 4.08Å; I248-C274 HydrophobicContact CD1-CB 4.41Å; I248-V281 HydrophobicContact CD1-CG1 4.29Å; I248-L285 HydrophobicContact CG1-CB 4.47Å; I248-L285 PolarHBondContact N-O 3.04Å; I248-M286 HydrophobicContact CB-SD 4.36Å; I248-M286 HydrophobicContact CD1-SD 4.22Å; I248-P287 WeakPolarHBondContact O-CD 3.21Å; I248-L467 HydrophobicContact CD1-CD1 4.02Å; I248-L467 HydrophobicContact CG2-CD1 4.29Å
249	I	97.6	Very high	96.4	Very high	41 Å²	41	58.5 Å²	58.5	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.9	-177.4	-57.6	-176.9	0	0	0	109.4	D258 A259 I266	I249-D258 PolarHBondContact O-N 3.07Å; I249-A259 HydrophobicContact CB-CB 3.99Å; I249-A259 WeakPolarHBondContact CB-O 3.4Å; I249-A259 HydrophobicContact CD1-CB 4.01Å; I249-A259 HydrophobicContact CG1-CB 4.36Å; I249-A259 PolarHBondContact N-O 3.01Å; I249-I266 HydrophobicContact CD1-CB 4.29Å; I249-I266 HydrophobicContact CD1-CD1 3.85Å; I249-I266 HydrophobicContact CD1-CG1 3.85Å; I249-I266 HydrophobicContact CD1-CG2 3.55Å
250	I	98	Very high	96.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.8	176.9	-56.8	-56	0	0	0	109.8	I248 P252 R256 A257 M286 P287 A290 Y464 L467	I248-I250 HydrophobicContact CG2-CD1 3.99Å; I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.41Å; I250-R256 CarbonylContact C-O 3.59Å; I250-R256 WeakPolarHBondContact CA-O 3.47Å; I250-A257 HydrophobicContact CD1-CB 4.23Å; I250-M286 HydrophobicContact CD1-CE 4.02Å; I250-M286 HydrophobicContact CG1-CE 3.9Å; I250-P287 HydrophobicContact CB-CG 4.35Å; I250-P287 HydrophobicContact CG1-CG 4.15Å; I250-A290 HydrophobicContact CB-CB 4.03Å; I250-A290 HydrophobicContact CG1-CB 4.18Å; I250-A290 HydrophobicContact CG2-CB 3.98Å; I250-Y464 HydrophobicContact CD1-CD1 4.23Å; I250-Y464 HydrophobicContact CD1-CD2 4.22Å; I250-Y464 HydrophobicContact CD1-CG 3.92Å; I250-Y464 HydrophobicContact CG1-CD1 4.35Å; I250-Y464 HydrophobicContact CG1-CG 4.42Å; I250-Y464 HydrophobicContact CG2-CD1 3.51Å; I250-Y464 HydrophobicContact CG2-CE1 3.7Å; I250-Y464 HydrophobicContact CG2-CG 4.3Å; I250-L467 HydrophobicContact CD1-CD2 4.44Å
251	D	95.8	Very high	96.4	Very high	41 Å²	41	57.5 Å²	57.5	22%	0.219	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.3	166.5	-176.5	-48.4	0	0	0	109.1	K253 F254 K255 R256 D258	D251-K253 VanDerWaalsContact C-N 3.3Å; D251-K253 PolarHBondContact O-N 2.83Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 VanDerWaalsContact OD1-CB 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.11Å; D251-K253 PolarHBondContact OD1-N 2.96Å; D251-F254 PolarHBondContact OD1-N 2.8Å; D251-F254 VanDerWaalsContact OD2-CD2 3.31Å; D251-F254 WeakPolarHBondContact OD2-CD2 3.47Å; D251-K255 VanDerWaalsContact O-CA 3.23Å; D251-K255 WeakPolarHBondContact O-CA 3.47Å; D251-K255 PolarHBondContact O-N 3.13Å; D251-R256 HydrophobicContact CB-CG 4.06Å; D251-R256 PolarHBondContact N-O 2.91Å; D251-D258 HydrophobicContact CB-CB 4.49Å
252	P	92.8	Very high	96.4	Very high	93 Å²	93	54.2 Å²	54.2	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.5	-177	27.4	-34.3	0	0	0	113.3	I250 F289	I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.41Å; P252-F289 HydrophobicContact CB-CD2 4.47Å; P252-F289 HydrophobicContact CB-CE2 4.01Å; P252-F289 HydrophobicContact CG-CE2 4.5Å
253	K	93.4	Very high	96.2	Very high	169 Å²	169	53.9 Å²	53.9	74%	0.735	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-44.5	-178.8	-179.5	-179.2	177.9	-179.6	0	111.1	D251	D251-K253 VanDerWaalsContact C-N 3.3Å; D251-K253 PolarHBondContact O-N 2.83Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 VanDerWaalsContact OD1-CB 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.11Å; D251-K253 PolarHBondContact OD1-N 2.96Å
254	F	93.5	Very high	96.1	Very high	114 Å²	114	56 Å²	56	50%	0.5	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-7.8	-176.9	-60.9	-64.8	0	0	0	114	D251 R256	D251-F254 PolarHBondContact OD1-N 2.8Å; D251-F254 VanDerWaalsContact OD2-CD2 3.31Å; D251-F254 WeakPolarHBondContact OD2-CD2 3.47Å; F254-R256 HydrophobicContact CB-CG 3.95Å
255	K	95.2	Very high	96.2	Very high	116 Å²	116	55.9 Å²	55.9	50%	0.504	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	57.6	-176.1	-63.7	179.9	176.2	169.5	0	111.2	D251 Y464 K465	D251-K255 VanDerWaalsContact O-CA 3.23Å; D251-K255 WeakPolarHBondContact O-CA 3.47Å; D251-K255 PolarHBondContact O-N 3.13Å; K255-Y464 HydrophobicContact CB-CD1 4.41Å; K255-Y464 CarbonylContact O-C 3.55Å; K255-Y464 VanDerWaalsContact O-CA 3.31Å; K255-Y464 WeakPolarHBondContact O-CA 3.36Å; K255-K465 PolarHBondContact O-N 2.99Å
256	R	96.3	Very high	96.2	Very high	72 Å²	72	60.8 Å²	60.8	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.7	180	63.5	175.9	26.9	169.1	-9.8	112.2	I250 D251 F254 D258 K465 D466 V502	I250-R256 CarbonylContact C-O 3.59Å; I250-R256 WeakPolarHBondContact CA-O 3.47Å; D251-R256 HydrophobicContact CB-CG 4.06Å; D251-R256 PolarHBondContact N-O 2.91Å; F254-R256 HydrophobicContact CB-CG 3.95Å; R256-D258 PolarHBondContact O-N 3.39Å; R256-K465 VanDerWaalsContact CA-O 3.24Å; R256-K465 WeakPolarHBondContact CA-O 3.45Å; R256-K465 HydrophobicContact CB-CB 3.93Å; R256-D466 IonicContact CZ-OD2 3.23Å; R256-D466 VanDerWaalsContact CZ-OD2 3.23Å; R256-D466 IonicContact NE-OD2 2.9Å; R256-D466 PolarHBondContact NE-OD2 3.49Å; R256-D466 IonicContact NH2-OD2 3.01Å; R256-D466 PolarHBondContact NH2-OD2 3.44Å; R256-V502 PolarHBondContact NH2-OXT 3.37Å
257	A	97.6	Very high	96.3	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121	165.7	0	0	0	0	0	109.6	I248 I250 I272 K465 L467	I248-A257 HydrophobicContact CG2-CB 4.38Å; I250-A257 HydrophobicContact CD1-CB 4.23Å; A257-I272 HydrophobicContact CB-CB 4.28Å; A257-I272 HydrophobicContact CB-CD1 3.81Å; A257-I272 HydrophobicContact CB-CG1 4.1Å; A257-K465 PolarHBondContact N-O 3.07Å; A257-L467 HydrophobicContact CB-CB 3.88Å; A257-L467 HydrophobicContact CB-CD1 4.45Å
258	D	95.7	Very high	96.4	Very high	50 Å²	50	63.9 Å²	63.9	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-27	-178	-174.8	60.4	0	0	0	112.6	I249 D251 R256 K268 F269	I249-D258 PolarHBondContact O-N 3.07Å; D251-D258 HydrophobicContact CB-CB 4.49Å; R256-D258 PolarHBondContact O-N 3.39Å; D258-K268 WeakPolarHBondContact O-CA 3.3Å; D258-K268 IonicContact OD1-NZ 3.83Å; D258-K268 IonicContact OD2-NZ 2.73Å; D258-K268 PolarHBondContact OD2-NZ 2.65Å; D258-F269 PolarHBondContact O-N 2.86Å; D258-F269 VanDerWaalsContact O-N 3.11Å
259	A	97.8	Very high	96.4	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	169.9	-176.4	0	0	0	0	0	112.2	I249 I266 R267 K268 I272	I249-A259 HydrophobicContact CB-CB 3.99Å; I249-A259 WeakPolarHBondContact CB-O 3.4Å; I249-A259 HydrophobicContact CD1-CB 4.01Å; I249-A259 HydrophobicContact CG1-CB 4.36Å; I249-A259 PolarHBondContact N-O 3.01Å; A259-I266 HydrophobicContact CB-CG2 3.89Å; A259-R267 CarbonylContact C-O 3.56Å; A259-R267 WeakPolarHBondContact CA-O 3.23Å; A259-R267 WeakPolarHBondContact CB-O 3.35Å; A259-K268 HydrophobicContact CB-CG 4.26Å; A259-I272 WeakPolarHBondContact O-CD1 3.34Å
260	I	98.2	Very high	96.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.4	165.7	56	177.6	0	0	0	109.5	A4 I6 F29 I245 Q247 V262 I266 R267 F269 I272	A4-I260 HydrophobicContact CB-CD1 4.34Å; I6-I260 HydrophobicContact CD1-CG2 4.02Å; F29-I260 HydrophobicContact CD1-CD1 4.28Å; F29-I260 HydrophobicContact CD2-CD1 3.52Å; F29-I260 HydrophobicContact CE1-CD1 4.06Å; F29-I260 HydrophobicContact CE2-CD1 3.26Å; F29-I260 HydrophobicContact CG-CD1 4.03Å; F29-I260 HydrophobicContact CZ-CD1 3.56Å; I245-I260 HydrophobicContact CD1-CB 4.36Å; I245-I260 HydrophobicContact CD1-CD1 3.76Å; Q247-I260 WeakPolarHBondContact O-CA 3.36Å; I260-V262 HydrophobicContact CD1-CG1 4.23Å; I260-V262 HydrophobicContact CG1-CG1 4.42Å; I260-I266 WeakPolarHBondContact O-CA 3.39Å; I260-R267 HydrophobicContact CG1-CB 4.25Å; I260-R267 PolarHBondContact N-O 3.5Å; I260-R267 PolarHBondContact O-N 3.08Å; I260-F269 HydrophobicContact CD1-CD2 4.24Å; I260-F269 HydrophobicContact CD1-CE2 3.66Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; I260-F269 HydrophobicContact CG1-CD2 4.07Å; I260-F269 HydrophobicContact CG1-CE2 3.79Å; I260-I272 HydrophobicContact CG2-CD1 3.7Å; I260-I272 HydrophobicContact CG2-CG1 4.48Å; I260-I272 HydrophobicContact CG2-CG2 4.37Å
261	K	98.2	Very high	96.4	Very high	68 Å²	68	66.9 Å²	66.9	30%	0.296	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.9	164.3	-168.5	-173.3	-177.9	-149.7	0	108.7	E246 Q247 D265 I266	E246-K261 HydrophobicContact CB-CB 4.39Å; E246-K261 HydrophobicContact CB-CD 4.16Å; E246-K261 HydrophobicContact CB-CG 4.32Å; E246-K261 PolarHBondContact N-O 2.91Å; E246-K261 WeakPolarHBondContact OE2-CD 3.45Å; E246-K261 WeakPolarHBondContact OE2-CE 3.29Å; E246-K261 IonicContact OE2-NZ 3.28Å; E246-K261 PolarHBondContact OE2-NZ 3.15Å; Q247-K261 HydrophobicContact CB-CB 4.11Å; Q247-K261 PolarHBondContact O-N 3.33Å; K261-D265 CarbonylContact C-O 3.48Å; K261-D265 WeakPolarHBondContact CA-O 3.41Å; K261-I266 HydrophobicContact CG-CG1 4.38Å
262	V	97.4	Very high	96.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128.2	-175.6	59.2	0	0	0	0	109.6	F29 A243 I245 I260 G264 D265 R267	F29-V262 HydrophobicContact CD1-CG1 4.43Å; F29-V262 HydrophobicContact CD1-CG2 4.09Å; F29-V262 HydrophobicContact CE1-CG1 4.16Å; A243-V262 HydrophobicContact CB-CG2 3.79Å; I245-V262 HydrophobicContact CD1-CB 3.69Å; I245-V262 HydrophobicContact CD1-CG2 3.78Å; I260-V262 HydrophobicContact CD1-CG1 4.23Å; I260-V262 HydrophobicContact CG1-CG1 4.42Å; V262-G264 PolarHBondContact O-N 2.9Å; V262-D265 PolarHBondContact N-O 2.91Å; V262-D265 PolarHBondContact O-N 3.18Å; V262-R267 HydrophobicContact CG1-CG 4.24Å
263	N	93.7	Very high	96.8	Very high	92 Å²	92	60.5 Å²	60.5	49%	0.492	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	40.5	-178.6	-62.5	-15.6	0	0	0	113.2	N242 D265	N242-N263 PolarHBondContact O-ND2 3.5Å; N242-N263 PolarHBondContact O-OD1 2.91Å; N263-D265 PolarHBondContact O-N 3.03Å
264	G	93.7	Very high	97	Very high	47 Å²	47	52.5 Å²	52.5	49%	0.485	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-15.7	-176.1	0	0	0	0	0	116.1	E246 V262	E246-G264 PolarHBondContact OE1-N 3.04Å; V262-G264 PolarHBondContact O-N 2.9Å
265	D	96.3	Very high	97.2	Very high	99 Å²	99	48 Å²	48	53%	0.529	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	146.5	-178.2	-72	-32.6	0	0	0	112.5	K261 V262 N263	K261-D265 CarbonylContact C-O 3.48Å; K261-D265 WeakPolarHBondContact CA-O 3.41Å; V262-D265 PolarHBondContact N-O 2.91Å; V262-D265 PolarHBondContact O-N 3.18Å; N263-D265 PolarHBondContact O-N 3.03Å
266	I	97.9	Very high	97.1	Very high	115 Å²	115	44.2 Å²	44.2	59%	0.59	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.5	172.7	-63.9	176.4	0	0	0	109.6	I249 A259 I260 K261	I249-I266 HydrophobicContact CD1-CB 4.29Å; I249-I266 HydrophobicContact CD1-CD1 3.85Å; I249-I266 HydrophobicContact CD1-CG1 3.85Å; I249-I266 HydrophobicContact CD1-CG2 3.55Å; A259-I266 HydrophobicContact CB-CG2 3.89Å; I260-I266 WeakPolarHBondContact O-CA 3.39Å; K261-I266 HydrophobicContact CG-CG1 4.38Å
267	R	98.1	Very high	97	Very high	70 Å²	70	41.6 Å²	41.6	26%	0.264	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	-179.1	-56.3	-171.4	-167.2	-177.9	14.2	111	E240 A259 I260 V262 F269	E240-R267 IonicContact OE1-CZ 2.8Å; E240-R267 IonicContact OE1-NH1 3.92Å; E240-R267 PolarHBondContact OE1-NH1 2.91Å; E240-R267 IonicContact OE2-CZ 3.5Å; E240-R267 VanDerWaalsContact OE2-CZ 3.25Å; E240-R267 IonicContact OE2-NH1 3.25Å; E240-R267 PolarHBondContact OE2-NH1 3.15Å; E240-R267 IonicContact OE2-NH2 2.91Å; E240-R267 PolarHBondContact OE2-NH2 3.2Å; A259-R267 CarbonylContact C-O 3.56Å; A259-R267 WeakPolarHBondContact CA-O 3.23Å; A259-R267 WeakPolarHBondContact CB-O 3.35Å; I260-R267 HydrophobicContact CG1-CB 4.25Å; I260-R267 PolarHBondContact N-O 3.5Å; I260-R267 PolarHBondContact O-N 3.08Å; V262-R267 HydrophobicContact CG1-CG 4.24Å; R267-F269 HydrophobicContact CB-CD2 4.48Å; R267-F269 HydrophobicContact CB-CE2 3.71Å; R267-F269 HydrophobicContact CB-CZ 4.45Å; R267-F269 WeakPolarHBondContact O-CD2 3.31Å
268	K	98.1	Very high	96.9	Very high	146 Å²	146	41.7 Å²	41.7	64%	0.635	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	142	-179.1	-69.6	-175.6	171.4	-96.6	0	112.1	D258 A259	D258-K268 WeakPolarHBondContact O-CA 3.3Å; D258-K268 IonicContact OD1-NZ 3.83Å; D258-K268 IonicContact OD2-NZ 2.73Å; D258-K268 PolarHBondContact OD2-NZ 2.65Å; A259-K268 HydrophobicContact CB-CG 4.26Å
269	F	98.2	Very high	96.8	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.096	21%	0.21	C	C	.	.			trans	-141.5	150.7	176.6	-70.1	-86.1	0	0	0	110.2	K2 A4 F29 D258 I260 R267 I272	K2-F269 HydrophobicContact CB-CD1 4.03Å; A4-F269 HydrophobicContact CB-CB 4.17Å; A4-F269 HydrophobicContact CB-CD1 3.74Å; A4-F269 HydrophobicContact CB-CD2 3.66Å; A4-F269 HydrophobicContact CB-CE1 4Å; A4-F269 HydrophobicContact CB-CE2 3.92Å; A4-F269 HydrophobicContact CB-CG 3.57Å; A4-F269 HydrophobicContact CB-CZ 4.1Å; F29-F269 HydrophobicContact CE2-CE1 4.45Å; F29-F269 AromaticContact CE2-CE2 3.96Å; F29-F269 HydrophobicContact CE2-CE2 3.96Å; F29-F269 AromaticContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CZ-CE2 4.04Å; F29-F269 AromaticContact CZ-CZ 3.67Å; F29-F269 HydrophobicContact CZ-CZ 3.67Å; D258-F269 PolarHBondContact O-N 2.86Å; D258-F269 VanDerWaalsContact O-N 3.11Å; I260-F269 HydrophobicContact CD1-CD2 4.24Å; I260-F269 HydrophobicContact CD1-CE2 3.66Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; I260-F269 HydrophobicContact CG1-CD2 4.07Å; I260-F269 HydrophobicContact CG1-CE2 3.79Å; R267-F269 HydrophobicContact CB-CD2 4.48Å; R267-F269 HydrophobicContact CB-CE2 3.71Å; R267-F269 HydrophobicContact CB-CZ 4.45Å; R267-F269 WeakPolarHBondContact O-CD2 3.31Å; F269-I272 HydrophobicContact CB-CG1 4.39Å
270	D	97.6	Very high	96.5	Very high	83 Å²	83	40.2 Å²	40.2	44%	0.444	22%	0.216	S	C	.	.	S	Bend	trans	-72.1	-35.2	177.7	-62.5	-50.3	0	0	0	111.2	M1 K2	M1-D270 VanDerWaalsContact C-OD2 3.32Å; M1-D270 WeakPolarHBondContact CA-OD2 3.48Å; M1-D270 HydrophobicContact CB-CB 4.03Å; M1-D270 VanDerWaalsContact CB-OD2 3.29Å; M1-D270 WeakPolarHBondContact CB-OD2 3.42Å; M1-D270 HydrophobicContact CG-CB 4.25Å; M1-D270 HydrophobicContact SD-CB 4.48Å; K2-D270 PolarHBondContact N-OD2 3.08Å; K2-D270 WeakPolarHBondContact O-CB 3.49Å; K2-D270 PolarHBondContact O-N 3.29Å
271	K	98.2	Very high	96.3	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.1	177.4	-61.3	-175.8	179.9	-67.5	0	110.8	I3 A4 D466 Y468 M494 I498 V502	I3-K271 WeakPolarHBondContact CA-O 3.49Å; I3-K271 HydrophobicContact CG1-CB 4.34Å; A4-K271 PolarHBondContact N-O 3.29Å; K271-D466 WeakPolarHBondContact CA-O 3.22Å; K271-D466 HydrophobicContact CG-CB 4.18Å; K271-D466 IonicContact NZ-OD1 3.15Å; K271-D466 PolarHBondContact NZ-OD1 3.04Å; K271-Y468 HydrophobicContact CB-CE2 4.24Å; K271-Y468 HydrophobicContact CD-CE2 3.96Å; K271-Y468 HydrophobicContact CG-CE2 4.32Å; K271-M494 HydrophobicContact CD-CG 3.83Å; K271-M494 HydrophobicContact CD-SD 4.38Å; K271-I498 HydrophobicContact CD-CD1 4.16Å; K271-I498 HydrophobicContact CD-CG1 3.83Å; K271-V502 PolarHBondContact NZ-O 3.06Å
272	I	98.5	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.9	180	-56.4	-178.5	0	0	0	109.4	A4 I6 I248 A257 A259 I260 F269 D466 L467 Y468	A4-I272 HydrophobicContact CB-CG1 4.4Å; A4-I272 WeakPolarHBondContact O-CA 3Å; I6-I272 HydrophobicContact CD1-CG2 3.66Å; I6-I272 HydrophobicContact CG1-CG2 4.2Å; I248-I272 HydrophobicContact CG2-CD1 4.08Å; A257-I272 HydrophobicContact CB-CB 4.28Å; A257-I272 HydrophobicContact CB-CD1 3.81Å; A257-I272 HydrophobicContact CB-CG1 4.1Å; A259-I272 WeakPolarHBondContact O-CD1 3.34Å; I260-I272 HydrophobicContact CG2-CD1 3.7Å; I260-I272 HydrophobicContact CG2-CG1 4.48Å; I260-I272 HydrophobicContact CG2-CG2 4.37Å; F269-I272 HydrophobicContact CB-CG1 4.39Å; I272-D466 PolarHBondContact N-O 3Å; I272-L467 HydrophobicContact CB-CD1 4.2Å; I272-L467 HydrophobicContact CG2-CD1 4.14Å; I272-L467 WeakPolarHBondContact O-CA 3.31Å; I272-Y468 PolarHBondContact O-N 2.91Å
273	L	98.6	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.1	170.5	176.4	59.9	0	0	0	109.9	A4 V5 I6 A15 I19 T275 A470 T490 M494	A4-L273 PolarHBondContact O-N 3.09Å; V5-L273 CarbonylContact C-O 3.37Å; V5-L273 VanDerWaalsContact CA-O 3.31Å; V5-L273 WeakPolarHBondContact CA-O 3.28Å; V5-L273 HydrophobicContact CG2-CB 4.32Å; V5-L273 HydrophobicContact CG2-CD2 4.39Å; I6-L273 PolarHBondContact N-O 3.14Å; A15-L273 HydrophobicContact CB-CD2 3.35Å; I19-L273 HydrophobicContact CD1-CD2 4.1Å; L273-T275 HydrophobicContact CD2-CG2 4.4Å; L273-T275 HydrophobicContact CG-CG2 4.08Å; L273-A470 HydrophobicContact CD1-CB 4.22Å; L273-T490 HydrophobicContact CD1-CG2 3.47Å; L273-T490 VanDerWaalsContact CD1-CG2 3.47Å; L273-M494 HydrophobicContact CB-CE 3.74Å; L273-M494 HydrophobicContact CD1-CE 4.33Å; L273-M494 HydrophobicContact CD2-CE 4.4Å; L273-M494 HydrophobicContact CG-CE 4.38Å
274	C	98.2	Very high	95.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.8	178.5	-169.7	0	0	0	0	111.8	I6 I248 V281 Y468 F469 A470	I6-C274 HydrophobicContact CB-CB 4.44Å; I6-C274 HydrophobicContact CD1-CB 4.34Å; I248-C274 HydrophobicContact CD1-CB 4.41Å; C274-V281 WeakPolarHBondContact SG-CG2 3.49Å; C274-Y468 PolarHBondContact N-O 3.03Å; C274-F469 HydrophobicContact CB-CD1 3.94Å; C274-F469 HydrophobicContact CB-CE1 4.2Å; C274-F469 CarbonylContact O-C 3.57Å; C274-F469 VanDerWaalsContact O-CA 3.29Å; C274-F469 WeakPolarHBondContact O-CA 3.41Å; C274-A470 PolarHBondContact O-N 3.03Å
275	T	97.4	Very high	95.8	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.117	21%	0.206	C	C	.	.			trans	-113.7	1	179.1	73.6	0	0	0	0	114.2	V5 I6 G7 T11 L273 A470	V5-T275 HydrophobicContact CG1-CG2 4.32Å; I6-T275 WeakPolarHBondContact O-CA 3.33Å; I6-T275 PolarHBondContact O-N 2.97Å; I6-T275 PolarHBondContact O-OG1 2.84Å; G7-T275 PolarHBondContact O-OG1 2.82Å; T11-T275 HydrophobicContact CG2-CG2 3.91Å; L273-T275 HydrophobicContact CD2-CG2 4.4Å; L273-T275 HydrophobicContact CG-CG2 4.08Å; T275-A470 WeakPolarHBondContact CA-O 3.38Å; T275-A470 HydrophobicContact CG2-CB 4.25Å
276	A	94.1	Very high	95.8	Very high	38 Å²	38	34.7 Å²	34.7	31%	0.314	18%	0.184	S	C	.	.	S	Bend	trans	-62.8	161	166.1	0	0	0	0	0	111.5	I6 F278 V281	I6-A276 PolarHBondContact O-N 2.93Å; A276-F278 PolarHBondContact O-N 3.36Å; A276-F278 VanDerWaalsContact O-N 3.13Å; A276-V281 HydrophobicContact CB-CG2 3.67Å
277	D	92.8	Very high	95.6	Very high	16 Å²	16	29.4 Å²	29.4	9%	0.086	16%	0.157	C	C	.	.			trans	-58.4	118.4	-176.1	-168.1	56.7	0	0	0	111.3	R38 P279 S280 V281 S473	R38-D277 IonicContact NH2-OD1 2.92Å; D277-P279 WeakPolarHBondContact OD2-CD 3.4Å; D277-S280 WeakPolarHBondContact O-CB 3.39Å; D277-S280 PolarHBondContact O-N 2.91Å; D277-V281 WeakPolarHBondContact O-CG2 3.46Å; D277-V281 PolarHBondContact O-N 3.08Å; D277-S473 WeakPolarHBondContact OD1-CB 3.43Å; D277-S473 PolarHBondContact OD1-OG 3.3Å
278	F	95.2	Very high	95.2	Very high	5 Å²	5	34 Å²	34	2%	0.022	19%	0.186	C	C	.	.	H	α-helix	trans	-55	-44.8	-169.8	178.3	-84.6	0	0	0	114	A276 S280 V281 A282 I292 Y295 I300 P457 F469	A276-F278 PolarHBondContact O-N 3.36Å; A276-F278 VanDerWaalsContact O-N 3.13Å; F278-S280 VanDerWaalsContact C-N 3.34Å; F278-S280 PolarHBondContact O-N 3.34Å; F278-V281 PolarHBondContact O-N 3.34Å; F278-A282 HydrophobicContact CE1-CB 4.22Å; F278-A282 WeakPolarHBondContact O-CB 3.35Å; F278-A282 PolarHBondContact O-N 2.71Å; F278-I292 HydrophobicContact CE2-CD1 3.75Å; F278-I292 HydrophobicContact CZ-CD1 3.72Å; F278-I292 HydrophobicContact CZ-CG2 4.25Å; F278-Y295 HydrophobicContact CE1-CD1 4.26Å; F278-Y295 AromaticContact CE1-CD2 3.53Å; F278-Y295 HydrophobicContact CE1-CD2 3.53Å; F278-Y295 AromaticContact CE1-CE2 3.86Å; F278-Y295 HydrophobicContact CE1-CE2 3.86Å; F278-Y295 AromaticContact CE1-CG 3.75Å; F278-Y295 HydrophobicContact CE1-CG 3.75Å; F278-Y295 AromaticContact CZ-CD2 3.47Å; F278-Y295 HydrophobicContact CZ-CD2 3.47Å; F278-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F278-Y295 AromaticContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CG 4.14Å; F278-I300 HydrophobicContact CE1-CD1 4.46Å; F278-P457 HydrophobicContact CB-CB 4.46Å; F278-P457 HydrophobicContact CD1-CB 3.53Å; F278-P457 HydrophobicContact CD1-CG 3.34Å; F278-P457 HydrophobicContact CD2-CB 3.79Å; F278-P457 HydrophobicContact CE1-CB 3.59Å; F278-P457 HydrophobicContact CE1-CG 3.46Å; F278-P457 VanDerWaalsContact CE1-CG 3.46Å; F278-P457 HydrophobicContact CE2-CB 3.84Å; F278-P457 HydrophobicContact CG-CB 3.64Å; F278-P457 HydrophobicContact CG-CG 3.93Å; F278-P457 HydrophobicContact CZ-CB 3.74Å; F278-P457 HydrophobicContact CZ-CG 4.12Å; F278-F469 HydrophobicContact CD2-CB 4.28Å; F278-F469 AromaticContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD2 4.35Å; F278-F469 HydrophobicContact CD2-CE1 4.28Å; F278-F469 AromaticContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CE2-CD1 4.1Å; F278-F469 AromaticContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CE1 4.19Å; F278-F469 HydrophobicContact CE2-CE2 4.04Å; F278-F469 AromaticContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CZ 4.15Å
279	P	94.4	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-49.7	-51	172.2	-32.4	37.3	0	0	0	113.8	D277 V281 A282 E283 I300 Y305 K438 L445	D277-P279 WeakPolarHBondContact OD2-CD 3.4Å; P279-V281 PolarHBondContact O-N 3.31Å; P279-A282 PolarHBondContact O-N 3.08Å; P279-E283 WeakPolarHBondContact O-CG 3.21Å; P279-E283 PolarHBondContact O-N 3.05Å; P279-E283 VanDerWaalsContact O-N 3.14Å; P279-I300 HydrophobicContact CB-CD1 4.5Å; P279-I300 HydrophobicContact CB-CG2 3.84Å; P279-Y305 HydrophobicContact CB-CE1 4.46Å; P279-Y305 WeakPolarHBondContact CB-OH 3.05Å; P279-Y305 HydrophobicContact CG-CE1 4.03Å; P279-K438 HydrophobicContact CB-CB 3.9Å; P279-K438 HydrophobicContact CB-CG 4.2Å; P279-L445 HydrophobicContact CG-CD2 4.19Å; P279-L445 HydrophobicContact CG-CG 4.29Å
280	S	92.2	Very high	94.8	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-41.8	179.9	-57.1	0	0	0	0	111.3	D277 F278 A282 E283 S284 H436	D277-S280 WeakPolarHBondContact O-CB 3.39Å; D277-S280 PolarHBondContact O-N 2.91Å; F278-S280 VanDerWaalsContact C-N 3.34Å; F278-S280 PolarHBondContact O-N 3.34Å; S280-A282 PolarHBondContact O-N 3.16Å; S280-E283 PolarHBondContact O-N 3.06Å; S280-S284 PolarHBondContact O-N 2.93Å; S280-S284 PolarHBondContact O-OG 3.39Å; S280-H436 PolarHBondContact OG-O 3.34Å
281	V	93.9	Very high	94.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.179	C	C	.	.	I	π-helix	trans	-60.1	-45.3	175.6	176.6	0	0	0	0	111.7	I248 C274 A276 D277 F278 P279 E283 L285 M286 F469	I248-V281 HydrophobicContact CD1-CG1 4.29Å; C274-V281 WeakPolarHBondContact SG-CG2 3.49Å; A276-V281 HydrophobicContact CB-CG2 3.67Å; D277-V281 WeakPolarHBondContact O-CG2 3.46Å; D277-V281 PolarHBondContact O-N 3.08Å; F278-V281 PolarHBondContact O-N 3.34Å; P279-V281 PolarHBondContact O-N 3.31Å; V281-E283 VanDerWaalsContact C-N 3.26Å; V281-E283 PolarHBondContact O-N 3.38Å; V281-L285 HydrophobicContact CG1-CB 4.24Å; V281-L285 HydrophobicContact CG1-CD1 4.4Å; V281-L285 HydrophobicContact CG2-CD1 4.06Å; V281-L285 PolarHBondContact O-N 2.81Å; V281-L285 VanDerWaalsContact O-N 3.15Å; V281-M286 PolarHBondContact O-N 3.27Å; V281-F469 HydrophobicContact CG1-CE1 3.9Å
282	A	94.8	Very high	94.4	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	18%	0.18	C	C	.	.	I	π-helix	trans	-64.3	-31.5	-179.2	0	0	0	0	0	112.6	F278 P279 S280 I292 I300	F278-A282 HydrophobicContact CE1-CB 4.22Å; F278-A282 WeakPolarHBondContact O-CB 3.35Å; F278-A282 PolarHBondContact O-N 2.71Å; P279-A282 PolarHBondContact O-N 3.08Å; S280-A282 PolarHBondContact O-N 3.16Å; A282-I292 HydrophobicContact CB-CD1 3.97Å; A282-I300 HydrophobicContact CB-CD1 4.09Å; A282-I300 HydrophobicContact CB-CG1 4.25Å
283	E	91.3	Very high	94.1	Very high	69 Å²	69	37.9 Å²	37.9	32%	0.322	21%	0.207	S	C	.	.	I	π-helix	trans	-87.4	-41.4	-179.3	-72	-179.4	152.3	0	0	113.9	P279 S280 V281 I300 K438	P279-E283 WeakPolarHBondContact O-CG 3.21Å; P279-E283 PolarHBondContact O-N 3.05Å; P279-E283 VanDerWaalsContact O-N 3.14Å; S280-E283 PolarHBondContact O-N 3.06Å; V281-E283 VanDerWaalsContact C-N 3.26Å; V281-E283 PolarHBondContact O-N 3.38Å; E283-I300 HydrophobicContact CG-CB 4.29Å; E283-I300 HydrophobicContact CG-CG1 4.31Å; E283-I300 HydrophobicContact CG-CG2 4.03Å; E283-I300 VanDerWaalsContact OE1-CG2 3.27Å; E283-I300 WeakPolarHBondContact OE1-CG2 3.36Å; E283-K438 WeakPolarHBondContact OE1-CE 3.35Å; E283-K438 IonicContact OE1-NZ 2.9Å; E283-K438 PolarHBondContact OE1-NZ 3.07Å; E283-K438 WeakPolarHBondContact OE2-CE 3.41Å; E283-K438 IonicContact OE2-NZ 2.8Å; E283-K438 PolarHBondContact OE2-NZ 2.8Å
284	S	91.3	Very high	93.8	Very high	79 Å²	79	41.9 Å²	41.9	55%	0.552	22%	0.224	S	C	*	.	I	π-helix	trans	-114.9	-27.5	-166.9	69.4	0	0	0	0	115.6	S280	S280-S284 PolarHBondContact O-N 2.93Å; S280-S284 PolarHBondContact O-OG 3.39Å
285	L	94.8	Very high	93.6	Very high	20 Å²	20	42.5 Å²	42.5	11%	0.105	23%	0.226	C	C	.	.	I	π-helix	trans	-96.3	-15.8	-173.9	-59.2	-167.9	0	0	0	113.6	I245 Q247 I248 V281	I245-L285 HydrophobicContact CG2-CD1 4.44Å; I245-L285 WeakPolarHBondContact O-CD2 3.36Å; Q247-L285 CarbonylContact C-O 3.33Å; Q247-L285 WeakPolarHBondContact CA-O 3.49Å; I248-L285 HydrophobicContact CG1-CB 4.47Å; I248-L285 PolarHBondContact N-O 3.04Å; V281-L285 HydrophobicContact CG1-CB 4.24Å; V281-L285 HydrophobicContact CG1-CD1 4.4Å; V281-L285 HydrophobicContact CG2-CD1 4.06Å; V281-L285 PolarHBondContact O-N 2.81Å; V281-L285 VanDerWaalsContact O-N 3.15Å
286	M	95.8	Very high	93.3	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.054	23%	0.232	C	C	.	.	S	Bend	trans	-87.8	140.9	177.8	-60.9	-61.9	-57.2	0	0	110.3	I248 I250 V281 A290 I292 Y464 L467	I248-M286 HydrophobicContact CB-SD 4.36Å; I248-M286 HydrophobicContact CD1-SD 4.22Å; I250-M286 HydrophobicContact CD1-CE 4.02Å; I250-M286 HydrophobicContact CG1-CE 3.9Å; V281-M286 PolarHBondContact O-N 3.27Å; M286-A290 WeakPolarHBondContact CE-O 3.28Å; M286-I292 HydrophobicContact CE-CG1 4.32Å; M286-I292 HydrophobicContact CG-CD1 4.21Å; M286-I292 HydrophobicContact CG-CG1 4Å; M286-I292 HydrophobicContact SD-CG1 4.36Å; M286-Y464 HydrophobicContact CE-CD2 3.69Å; M286-Y464 HydrophobicContact CE-CE2 3.48Å; M286-Y464 VanDerWaalsContact CE-CE2 3.48Å; M286-L467 HydrophobicContact CE-CD2 4.18Å; M286-L467 HydrophobicContact SD-CD2 4.23Å
287	P	93.3	Very high	93.1	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	24%	0.243	C	C	.	.			trans	-69.8	145.2	176.6	29.5	-33.8	0	0	0	110.7	I248 I250 F289 A290	I248-P287 WeakPolarHBondContact O-CD 3.21Å; I250-P287 HydrophobicContact CB-CG 4.35Å; I250-P287 HydrophobicContact CG1-CG 4.15Å; P287-F289 HydrophobicContact CB-CD1 3.81Å; P287-F289 HydrophobicContact CB-CE1 3.52Å; P287-F289 HydrophobicContact CB-CZ 4.04Å; P287-F289 HydrophobicContact CG-CD1 4.37Å; P287-F289 HydrophobicContact CG-CE1 3.91Å; P287-F289 HydrophobicContact CG-CE2 4.36Å; P287-F289 HydrophobicContact CG-CZ 3.89Å; P287-F289 PolarHBondContact O-N 3.07Å; P287-A290 HydrophobicContact CG-CB 3.93Å; P287-A290 CarbonylContact O-C 3.59Å; P287-A290 PolarHBondContact O-N 3.31Å
288	D	91.5	Very high	93	Very high	166 Å²	166	50.7 Å²	50.7	89%	0.888	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.3	-178.7	-65.8	-20.2	0	0	0	113.8	A290 P291	D288-A290 VanDerWaalsContact C-N 3.33Å; D288-P291 WeakPolarHBondContact O-CD 3.46Å
289	F	92.8	Very high	92.9	Very high	136 Å²	136	54.8 Å²	54.8	60%	0.596	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.6	179.2	72	-98	0	0	0	113.8	P252 P287	P252-F289 HydrophobicContact CB-CD2 4.47Å; P252-F289 HydrophobicContact CB-CE2 4.01Å; P252-F289 HydrophobicContact CG-CE2 4.5Å; P287-F289 HydrophobicContact CB-CD1 3.81Å; P287-F289 HydrophobicContact CB-CE1 3.52Å; P287-F289 HydrophobicContact CB-CZ 4.04Å; P287-F289 HydrophobicContact CG-CD1 4.37Å; P287-F289 HydrophobicContact CG-CE1 3.91Å; P287-F289 HydrophobicContact CG-CE2 4.36Å; P287-F289 HydrophobicContact CG-CZ 3.89Å; P287-F289 PolarHBondContact O-N 3.07Å
290	A	93.4	Very high	92.9	Very high	6 Å²	6	54.8 Å²	54.8	5%	0.05	28%	0.284	C	S	.	.	S	Bend	trans	-136.9	62.3	-179.5	0	0	0	0	0	111.8	I250 M286 P287 D288 Y464	I250-A290 HydrophobicContact CB-CB 4.03Å; I250-A290 HydrophobicContact CG1-CB 4.18Å; I250-A290 HydrophobicContact CG2-CB 3.98Å; M286-A290 WeakPolarHBondContact CE-O 3.28Å; P287-A290 HydrophobicContact CG-CB 3.93Å; P287-A290 CarbonylContact O-C 3.59Å; P287-A290 PolarHBondContact O-N 3.31Å; D288-A290 VanDerWaalsContact C-N 3.33Å; A290-Y464 WeakPolarHBondContact CA-OH 3.32Å; A290-Y464 HydrophobicContact CB-CE1 3.83Å; A290-Y464 WeakPolarHBondContact CB-OH 3.13Å; A290-Y464 PolarHBondContact O-OH 3.35Å
291	P	93.9	Very high	92.9	Very high	56 Å²	56	55.4 Å²	55.4	36%	0.364	29%	0.291	S	S	.	.			trans	-69.4	164.3	175.9	32.4	-36.6	0	0	0	111.1	D288 K293 Y464	D288-P291 WeakPolarHBondContact O-CD 3.46Å; P291-K293 PolarHBondContact O-N 3.16Å; P291-Y464 PolarHBondContact O-OH 3.32Å
292	I	94.2	Very high	92.9	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.041	32%	0.318	C	S	.	.			trans	-74.9	109.1	168.1	-56.3	173.9	0	0	0	107.9	F278 A282 M286 K294 Y295 F469	F278-I292 HydrophobicContact CE2-CD1 3.75Å; F278-I292 HydrophobicContact CZ-CD1 3.72Å; F278-I292 HydrophobicContact CZ-CG2 4.25Å; A282-I292 HydrophobicContact CB-CD1 3.97Å; M286-I292 HydrophobicContact CE-CG1 4.32Å; M286-I292 HydrophobicContact CG-CD1 4.21Å; M286-I292 HydrophobicContact CG-CG1 4Å; M286-I292 HydrophobicContact SD-CG1 4.36Å; I292-K294 VanDerWaalsContact C-N 3.28Å; I292-K294 PolarHBondContact O-N 2.68Å; I292-K294 VanDerWaalsContact O-N 3.15Å; I292-Y295 HydrophobicContact CG2-CD2 3.81Å; I292-Y295 CarbonylContact O-C 3.21Å; I292-Y295 PolarHBondContact O-N 3.17Å; I292-F469 HydrophobicContact CD1-CE1 4.22Å; I292-F469 HydrophobicContact CD1-CE2 4.26Å; I292-F469 HydrophobicContact CD1-CZ 3.63Å
293	K	92.4	Very high	92.8	Very high	129 Å²	129	60.5 Å²	60.5	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.7	-162.5	-64.1	-177.9	-168.8	157	0	113.9	P291 Y295 D463	P291-K293 PolarHBondContact O-N 3.16Å; K293-Y295 VanDerWaalsContact C-N 3.25Å; K293-Y295 PolarHBondContact O-N 3.39Å; K293-D463 VanDerWaalsContact CD-OD1 3.32Å; K293-D463 WeakPolarHBondContact CD-OD1 3.44Å; K293-D463 WeakPolarHBondContact CG-OD1 3.44Å; K293-D463 PolarHBondContact N-OD2 3.5Å; K293-D463 IonicContact NZ-OD1 3.88Å
294	K	91.8	Very high	92.8	Very high	84 Å²	84	60.7 Å²	60.7	37%	0.365	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.3	178.3	-169	-177.5	174.6	-145.2	0	112.3	I292 Y455	I292-K294 VanDerWaalsContact C-N 3.28Å; I292-K294 PolarHBondContact O-N 2.68Å; I292-K294 VanDerWaalsContact O-N 3.15Å; K294-Y455 PolarHBondContact NZ-O 3.12Å
295	Y	93.7	Very high	92.8	Very high	15 Å²	15	57.3 Å²	57.3	6%	0.059	30%	0.295	C	S	.	.			trans	-130.1	60.8	-173.2	-58.3	-76.2	0	0	0	111.8	F278 I292 K293 K299 I300 Y455 R456 P457	F278-Y295 HydrophobicContact CE1-CD1 4.26Å; F278-Y295 AromaticContact CE1-CD2 3.53Å; F278-Y295 HydrophobicContact CE1-CD2 3.53Å; F278-Y295 AromaticContact CE1-CE2 3.86Å; F278-Y295 HydrophobicContact CE1-CE2 3.86Å; F278-Y295 AromaticContact CE1-CG 3.75Å; F278-Y295 HydrophobicContact CE1-CG 3.75Å; F278-Y295 AromaticContact CZ-CD2 3.47Å; F278-Y295 HydrophobicContact CZ-CD2 3.47Å; F278-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F278-Y295 AromaticContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CG 4.14Å; I292-Y295 HydrophobicContact CG2-CD2 3.81Å; I292-Y295 CarbonylContact O-C 3.21Å; I292-Y295 PolarHBondContact O-N 3.17Å; K293-Y295 VanDerWaalsContact C-N 3.25Å; K293-Y295 PolarHBondContact O-N 3.39Å; Y295-K299 HydrophobicContact CD1-CG 4.35Å; Y295-I300 HydrophobicContact CD1-CD1 4.14Å; Y295-I300 HydrophobicContact CG-CD1 4.22Å; Y295-Y455 PolarHBondContact OH-O 3.21Å; Y295-R456 PolarHBondContact OH-O 3.43Å; Y295-P457 HydrophobicContact CE1-CG 4.08Å; Y295-P457 HydrophobicContact CE2-CB 4.33Å; Y295-P457 HydrophobicContact CE2-CG 4.17Å; Y295-P457 WeakPolarHBondContact OH-CA 3.38Å; Y295-P457 VanDerWaalsContact OH-N 3.12Å
296	P	91.1	Very high	92.6	Very high	36 Å²	36	56.4 Å²	56.4	23%	0.234	29%	0.29	C	S	.	.			trans	-60.6	161.4	167.7	29.8	-37	0	0	0	110.7	H298 K299 I300	P296-H298 VanDerWaalsContact C-N 3.32Å; P296-H298 WeakPolarHBondContact CG-CE1 3.3Å; P296-H298 PolarHBondContact O-N 3.4Å; P296-H298 VanDerWaalsContact O-N 3.14Å; P296-K299 HydrophobicContact CG-CB 3.82Å; P296-K299 WeakPolarHBondContact O-CA 3.49Å; P296-K299 WeakPolarHBondContact O-CB 3.23Å; P296-K299 PolarHBondContact O-N 3.44Å; P296-I300 PolarHBondContact O-N 3.34Å; P296-I300 VanDerWaalsContact O-N 3.12Å
297	P	89.6	Confident	92.4	Very high	84 Å²	84	56 Å²	56	55%	0.545	29%	0.289	S	S	.	.	H	α-helix	trans	-51.6	-42.5	-174.4	-31	36	0	0	0	115.1	K299 I300 A301	P297-K299 VanDerWaalsContact C-N 3.28Å; P297-K299 PolarHBondContact O-N 2.82Å; P297-I300 PolarHBondContact O-N 2.83Å; P297-A301 PolarHBondContact O-N 3.21Å
298	H	91.9	Very high	92.5	Very high	124 Å²	124	55.9 Å²	55.9	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-39	175.9	67.6	-91.9	0	0	0	112.1	P296 I300 A301 D302	P296-H298 VanDerWaalsContact C-N 3.32Å; P296-H298 WeakPolarHBondContact CG-CE1 3.3Å; P296-H298 PolarHBondContact O-N 3.4Å; P296-H298 VanDerWaalsContact O-N 3.14Å; H298-I300 VanDerWaalsContact C-N 3.34Å; H298-I300 PolarHBondContact O-N 2.97Å; H298-A301 PolarHBondContact O-N 3.28Å; H298-D302 WeakPolarHBondContact O-CB 3.16Å; H298-D302 PolarHBondContact O-N 3.19Å
299	K	93.2	Very high	92.6	Very high	91 Å²	91	48 Å²	48	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-68.6	-35.5	179.2	-175.6	59.2	-178.5	168.6	0	111.5	Y295 P296 P297 L303	Y295-K299 HydrophobicContact CD1-CG 4.35Å; P296-K299 HydrophobicContact CG-CB 3.82Å; P296-K299 WeakPolarHBondContact O-CA 3.49Å; P296-K299 WeakPolarHBondContact O-CB 3.23Å; P296-K299 PolarHBondContact O-N 3.44Å; P297-K299 VanDerWaalsContact C-N 3.28Å; P297-K299 PolarHBondContact O-N 2.82Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 2.94Å
300	I	93.7	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-46.9	173.7	-68.1	-60.5	0	0	0	110.4	F278 P279 A282 E283 Y295 P296 P297 H298 D302 L303 Y305	F278-I300 HydrophobicContact CE1-CD1 4.46Å; P279-I300 HydrophobicContact CB-CD1 4.5Å; P279-I300 HydrophobicContact CB-CG2 3.84Å; A282-I300 HydrophobicContact CB-CD1 4.09Å; A282-I300 HydrophobicContact CB-CG1 4.25Å; E283-I300 HydrophobicContact CG-CB 4.29Å; E283-I300 HydrophobicContact CG-CG1 4.31Å; E283-I300 HydrophobicContact CG-CG2 4.03Å; E283-I300 VanDerWaalsContact OE1-CG2 3.27Å; E283-I300 WeakPolarHBondContact OE1-CG2 3.36Å; Y295-I300 HydrophobicContact CD1-CD1 4.14Å; Y295-I300 HydrophobicContact CG-CD1 4.22Å; P296-I300 PolarHBondContact O-N 3.34Å; P296-I300 VanDerWaalsContact O-N 3.12Å; P297-I300 PolarHBondContact O-N 2.83Å; H298-I300 VanDerWaalsContact C-N 3.34Å; H298-I300 PolarHBondContact O-N 2.97Å; I300-D302 PolarHBondContact O-N 3.02Å; I300-L303 HydrophobicContact CD1-CD1 3.91Å; I300-L303 WeakPolarHBondContact O-CB 3.42Å; I300-L303 PolarHBondContact O-N 3.41Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-Y305 PolarHBondContact O-OH 3.14Å
301	A	92.9	Very high	93	Very high	34 Å²	34	41.2 Å²	41.2	28%	0.281	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-36.6	176.9	0	0	0	0	0	112.9	P297 H298 L303 K383	P297-A301 PolarHBondContact O-N 3.21Å; H298-A301 PolarHBondContact O-N 3.28Å; A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.42Å; A301-K383 PolarHBondContact O-NZ 2.9Å
302	D	93.1	Very high	93.2	Very high	108 Å²	108	38.5 Å²	38.5	58%	0.578	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.6	-179.9	-66.4	-19.4	0	0	0	114.5	H298 I300	H298-D302 WeakPolarHBondContact O-CB 3.16Å; H298-D302 PolarHBondContact O-N 3.19Å; I300-D302 PolarHBondContact O-N 3.02Å
303	L	93.4	Very high	93.4	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	-67.2	151.8	174.7	-64.9	177.1	0	0	0	111	K299 I300 A301 Y305 K383 L445 Q451	K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 2.94Å; I300-L303 HydrophobicContact CD1-CD1 3.91Å; I300-L303 WeakPolarHBondContact O-CB 3.42Å; I300-L303 PolarHBondContact O-N 3.41Å; I300-L303 VanDerWaalsContact O-N 3.16Å; A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.42Å; L303-Y305 HydrophobicContact CB-CD2 4.48Å; L303-Y305 HydrophobicContact CB-CE2 3.81Å; L303-Y305 WeakPolarHBondContact O-CD2 3.41Å; L303-Y305 WeakPolarHBondContact O-CE2 3.49Å; L303-K383 PolarHBondContact O-NZ 3.21Å; L303-L445 HydrophobicContact CB-CD2 3.73Å; L303-L445 HydrophobicContact CD1-CD1 3.99Å; L303-L445 HydrophobicContact CD1-CD2 3.61Å; L303-L445 HydrophobicContact CD1-CG 4.47Å; L303-L445 HydrophobicContact CG-CD2 4.26Å; L303-Q451 VanDerWaalsContact CD2-OE1 3.3Å
304	D	91.2	Very high	93.7	Very high	74 Å²	74	32 Å²	32	40%	0.396	17%	0.169	S	C	.	.			trans	-80.9	123.3	172.5	-57.5	-49.1	0	0	0	109	M446 T448 Q451	D304-M446 HydrophobicContact CB-CB 3.9Å; D304-M446 HydrophobicContact CB-SD 4.37Å; D304-M446 WeakPolarHBondContact O-CB 3.36Å; D304-M446 PolarHBondContact O-N 2.96Å; D304-T448 HydrophobicContact CB-CG2 4.33Å; D304-Q451 PolarHBondContact O-NE2 2.93Å
305	Y	91.8	Very high	94	Very high	8 Å²	8	28 Å²	28	3%	0.031	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-105.6	142.6	178	-71.2	-90.7	0	0	0	109.9	P279 I300 L303 K438 F439 S441 L445 M446	P279-Y305 HydrophobicContact CB-CE1 4.46Å; P279-Y305 WeakPolarHBondContact CB-OH 3.05Å; P279-Y305 HydrophobicContact CG-CE1 4.03Å; I300-Y305 PolarHBondContact O-OH 3.14Å; L303-Y305 HydrophobicContact CB-CD2 4.48Å; L303-Y305 HydrophobicContact CB-CE2 3.81Å; L303-Y305 WeakPolarHBondContact O-CD2 3.41Å; L303-Y305 WeakPolarHBondContact O-CE2 3.49Å; Y305-K438 HydrophobicContact CD1-CB 4.49Å; Y305-K438 HydrophobicContact CE1-CB 3.66Å; Y305-K438 HydrophobicContact CE1-CG 3.8Å; Y305-K438 HydrophobicContact CE2-CG 4.39Å; Y305-K438 WeakPolarHBondContact OH-CG 3.47Å; Y305-F439 AromaticContact CD2-CD2 3.54Å; Y305-F439 HydrophobicContact CD2-CD2 3.54Å; Y305-F439 AromaticContact CD2-CE2 3.87Å; Y305-F439 HydrophobicContact CD2-CE2 3.87Å; Y305-F439 AromaticContact CE2-CD2 3.6Å; Y305-F439 HydrophobicContact CE2-CD2 3.6Å; Y305-F439 AromaticContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CG-CD2 4.02Å; Y305-S441 WeakPolarHBondContact CD1-OG 3.12Å; Y305-L445 HydrophobicContact CD1-CD2 3.95Å; Y305-L445 HydrophobicContact CE1-CD2 3.53Å; Y305-L445 HydrophobicContact CE2-CD2 4.31Å; Y305-M446 WeakPolarHBondContact O-CE 3.32Å
306	S	90.8	Very high	94.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	15%	0.149	C	C	.	.			trans	-62	161.6	172.5	56.9	0	0	0	0	110.6	E381 F443 G444	S306-E381 WeakPolarHBondContact O-CG 3.11Å; S306-F443 WeakPolarHBondContact OG-CA 3.38Å; S306-F443 VanDerWaalsContact OG-CB 3.31Å; S306-F443 WeakPolarHBondContact OG-CB 3.35Å; S306-F443 PolarHBondContact OG-N 3.47Å; S306-G444 WeakPolarHBondContact CB-O 3.24Å; S306-G444 PolarHBondContact N-O 2.97Å; S306-G444 PolarHBondContact OG-N 2.88Å; S306-G444 VanDerWaalsContact OG-N 3.16Å; S306-G444 PolarHBondContact OG-O 3.01Å
307	C	91.8	Very high	94.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.02	16%	0.156	C	C	.	.			trans	-57.3	161.5	171.8	70	0	0	0	0	111.6	G192 I342 F343 T379 A442	G192-C307 WeakPolarHBondContact CA-SG 3.43Å; G192-C307 PolarHBondContact O-N 3.49Å; C307-I342 HydrophobicContact CB-CG2 3.66Å; C307-F343 HydrophobicContact CB-CE1 4.41Å; C307-F343 HydrophobicContact CB-CZ 4.31Å; C307-T379 WeakPolarHBondContact CB-O 3.3Å; C307-A442 PolarHBondContact O-N 3.41Å
308	S	94.2	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-170.4	170.6	-164.2	0	0	0	0	110.7	T379 P428 G440	S308-T379 CarbonylContact C-O 3.57Å; S308-T379 VanDerWaalsContact C-OG1 3.3Å; S308-T379 PolarHBondContact N-O 2.97Å; S308-T379 PolarHBondContact O-N 3Å; S308-T379 VanDerWaalsContact O-O 3.11Å; S308-T379 PolarHBondContact O-OG1 3.48Å; S308-P428 WeakPolarHBondContact OG-CA 3.48Å; S308-P428 WeakPolarHBondContact OG-CB 3.12Å; S308-P428 VanDerWaalsContact OG-CG 3.29Å; S308-P428 WeakPolarHBondContact OG-CG 3.43Å; S308-G440 VanDerWaalsContact CB-O 3.28Å; S308-G440 WeakPolarHBondContact CB-O 3.29Å; S308-G440 PolarHBondContact OG-O 2.91Å
309	A	94.7	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.5	178.3	0	0	0	0	0	110.8	L311 L376 M377 T379 F431 A442	A309-L311 HydrophobicContact CB-CD2 3.82Å; A309-L311 HydrophobicContact CB-CG 4.38Å; A309-L376 HydrophobicContact CB-CD1 4.19Å; A309-L376 HydrophobicContact CB-CD2 4.41Å; A309-L376 HydrophobicContact CB-CG 3.94Å; A309-M377 WeakPolarHBondContact CA-O 3.21Å; A309-T379 WeakPolarHBondContact CA-OG1 3.46Å; A309-T379 PolarHBondContact N-OG1 3.18Å; A309-F431 HydrophobicContact CB-CE2 4.03Å; A309-F431 HydrophobicContact CB-CZ 4.28Å; A309-F431 WeakPolarHBondContact O-CE2 3.36Å; A309-A442 HydrophobicContact CB-CB 4.22Å
310	F	96.7	Very high	95.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.3	159.2	-176.2	-86.8	0	0	0	107.6	M312 M377 T379 W390 T396 I399 I403 I425 T427	F310-M312 HydrophobicContact CD1-CG 4.1Å; F310-M312 HydrophobicContact CE1-CG 3.53Å; F310-M312 HydrophobicContact CE1-SD 3.97Å; F310-M377 HydrophobicContact CB-CB 4.43Å; F310-M377 HydrophobicContact CB-CE 4.04Å; F310-M377 PolarHBondContact N-O 3Å; F310-M377 PolarHBondContact O-N 3.39Å; F310-T379 HydrophobicContact CB-CG2 3.91Å; F310-W390 HydrophobicContact CB-CZ3 4.37Å; F310-W390 HydrophobicContact CD2-CE3 4.09Å; F310-W390 HydrophobicContact CD2-CH2 4.44Å; F310-W390 AromaticContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CE2-CZ3 4.21Å; F310-W390 HydrophobicContact CG-CZ3 4.37Å; F310-T396 HydrophobicContact CE2-CG2 4.49Å; F310-T396 HydrophobicContact CZ-CG2 4.29Å; F310-I399 HydrophobicContact CD1-CG2 3.65Å; F310-I399 HydrophobicContact CD2-CD1 4.27Å; F310-I399 HydrophobicContact CD2-CG2 4.27Å; F310-I399 HydrophobicContact CE1-CB 4.47Å; F310-I399 HydrophobicContact CE1-CG2 3.56Å; F310-I399 HydrophobicContact CE2-CD1 4.23Å; F310-I399 HydrophobicContact CE2-CG2 4.18Å; F310-I399 HydrophobicContact CG-CG2 3.99Å; F310-I399 HydrophobicContact CZ-CB 4.28Å; F310-I399 HydrophobicContact CZ-CG2 3.82Å; F310-I403 HydrophobicContact CD1-CD1 3.72Å; F310-I403 HydrophobicContact CE1-CD1 3.85Å; F310-I425 HydrophobicContact CD2-CG2 4.16Å; F310-I425 HydrophobicContact CE1-CG2 4Å; F310-I425 HydrophobicContact CE2-CG2 3.4Å; F310-I425 VanDerWaalsContact CE2-CG2 3.4Å; F310-I425 HydrophobicContact CZ-CB 4.44Å; F310-I425 HydrophobicContact CZ-CD1 4.17Å; F310-I425 HydrophobicContact CZ-CG1 4.32Å; F310-I425 HydrophobicContact CZ-CG2 3.31Å; F310-T427 HydrophobicContact CD2-CG2 3.99Å; F310-T427 HydrophobicContact CE2-CG2 3.98Å
311	L	97.3	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.2	-179.2	-50.3	-178.9	0	0	0	110.5	A309 Y313 Y374 V375 L376 I425 F426 F431	A309-L311 HydrophobicContact CB-CD2 3.82Å; A309-L311 HydrophobicContact CB-CG 4.38Å; L311-Y313 HydrophobicContact CB-CE2 4.26Å; L311-Y313 VanDerWaalsContact CD1-OH 3.32Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.28Å; L311-Y374 HydrophobicContact CB-CE2 4.46Å; L311-Y374 HydrophobicContact CD1-CE2 3.93Å; L311-Y374 HydrophobicContact CD2-CE1 4.48Å; L311-Y374 HydrophobicContact CD2-CE2 4.05Å; L311-Y374 WeakPolarHBondContact CD2-OH 3.27Å; L311-Y374 HydrophobicContact CG-CE2 4.38Å; L311-V375 CarbonylContact C-O 3.58Å; L311-V375 VanDerWaalsContact CA-O 3.26Å; L311-V375 WeakPolarHBondContact CA-O 3.44Å; L311-L376 HydrophobicContact CD2-CB 3.67Å; L311-L376 HydrophobicContact CD2-CD1 3.89Å; L311-L376 HydrophobicContact CD2-CG 3.62Å; L311-I425 CarbonylContact O-C 3.57Å; L311-I425 WeakPolarHBondContact O-CA 3.46Å; L311-F426 HydrophobicContact CB-CB 4.09Å; L311-F426 HydrophobicContact CD1-CB 4.42Å; L311-F426 HydrophobicContact CD1-CD1 4.33Å; L311-F426 PolarHBondContact N-O 3.28Å; L311-F426 PolarHBondContact O-N 3.46Å; L311-F431 HydrophobicContact CD1-CE2 4.38Å; L311-F431 HydrophobicContact CD1-CZ 3.8Å; L311-F431 HydrophobicContact CG-CE2 4.45Å; L311-F431 HydrophobicContact CG-CZ 4.27Å
312	M	97.8	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	166.1	-65.4	-178.8	65.3	0	0	109.9	F310 I314 Y374 V375 K400 I403 Y404 E423 T424	F310-M312 HydrophobicContact CD1-CG 4.1Å; F310-M312 HydrophobicContact CE1-CG 3.53Å; F310-M312 HydrophobicContact CE1-SD 3.97Å; M312-I314 HydrophobicContact CB-CD1 4.29Å; M312-I314 HydrophobicContact CB-CG1 4.11Å; M312-I314 HydrophobicContact CE-CD1 3.97Å; M312-I314 HydrophobicContact CE-CG1 4.21Å; M312-Y374 CarbonylContact O-C 3.53Å; M312-Y374 WeakPolarHBondContact O-CA 3.29Å; M312-V375 HydrophobicContact CB-CB 4.3Å; M312-V375 PolarHBondContact N-O 3.49Å; M312-V375 PolarHBondContact O-N 2.92Å; M312-K400 HydrophobicContact CE-CB 4.37Å; M312-K400 HydrophobicContact CE-CD 4.47Å; M312-K400 HydrophobicContact CE-CG 3.8Å; M312-K400 HydrophobicContact SD-CG 4.01Å; M312-I403 HydrophobicContact CG-CD1 4.06Å; M312-I403 HydrophobicContact SD-CB 3.96Å; M312-I403 HydrophobicContact SD-CD1 3.46Å; M312-I403 WeakPolarHBondContact SD-CD1 3.45Å; M312-I403 HydrophobicContact SD-CG1 4.3Å; M312-I403 HydrophobicContact SD-CG2 3.75Å; M312-Y404 HydrophobicContact CE-CE1 3.8Å; M312-E423 HydrophobicContact CE-CG 4.33Å; M312-E423 WeakPolarHBondContact CE-OE2 3.48Å; M312-T424 WeakPolarHBondContact CA-O 3.32Å
313	Y	98.3	Very high	95.8	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	109.6	169.8	-50.8	-84	0	0	0	107.8	L42 F49 M51 L311 Y374 E423 T424 F426	L42-Y313 HydrophobicContact CD2-CD1 4.46Å; L42-Y313 HydrophobicContact CD2-CD2 3.63Å; L42-Y313 HydrophobicContact CD2-CE2 4.16Å; L42-Y313 HydrophobicContact CD2-CG 3.8Å; F49-Y313 HydrophobicContact CB-CD1 3.41Å; F49-Y313 VanDerWaalsContact CB-CD1 3.41Å; F49-Y313 HydrophobicContact CB-CE1 3.93Å; F49-Y313 HydrophobicContact CB-CG 4.27Å; F49-Y313 HydrophobicContact CD1-CD1 4.08Å; F49-Y313 HydrophobicContact CD2-CD1 4.34Å; F49-Y313 HydrophobicContact CD2-CG 4.43Å; F49-Y313 AromaticContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CG 4.2Å; M51-Y313 WeakPolarHBondContact CA-OH 3.27Å; M51-Y313 PolarHBondContact O-OH 2.91Å; L311-Y313 HydrophobicContact CB-CE2 4.26Å; L311-Y313 VanDerWaalsContact CD1-OH 3.32Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.28Å; Y313-Y374 AromaticContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CE2 4.45Å; Y313-Y374 AromaticContact CE1-CD2 3.36Å; Y313-Y374 HydrophobicContact CE1-CD2 3.36Å; Y313-Y374 AromaticContact CE1-CE2 3.69Å; Y313-Y374 HydrophobicContact CE1-CE2 3.69Å; Y313-E423 CarbonylContact O-C 3.57Å; Y313-E423 VanDerWaalsContact O-CA 3.3Å; Y313-E423 WeakPolarHBondContact O-CA 3.41Å; Y313-T424 HydrophobicContact CD2-CG2 4.3Å; Y313-T424 PolarHBondContact N-O 3.24Å; Y313-T424 PolarHBondContact O-N 3.23Å; Y313-F426 HydrophobicContact CE2-CB 3.92Å
314	I	98.4	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.6	-172.2	-51.5	172.1	0	0	0	108.1	M312 I316 G372 I373 V375 Y404 L407 I420 S422	M312-I314 HydrophobicContact CB-CD1 4.29Å; M312-I314 HydrophobicContact CB-CG1 4.11Å; M312-I314 HydrophobicContact CE-CD1 3.97Å; M312-I314 HydrophobicContact CE-CG1 4.21Å; I314-I316 HydrophobicContact CG2-CG2 3.96Å; I314-G372 CarbonylContact O-C 3.6Å; I314-I373 HydrophobicContact CB-CB 4.38Å; I314-I373 PolarHBondContact N-O 3.35Å; I314-I373 PolarHBondContact O-N 2.95Å; I314-V375 HydrophobicContact CD1-CG2 4.24Å; I314-Y404 HydrophobicContact CD1-CE1 4.27Å; I314-L407 HydrophobicContact CD1-CD1 4.06Å; I314-I420 HydrophobicContact CG2-CB 4.46Å; I314-I420 HydrophobicContact CG2-CD1 4.01Å; I314-I420 HydrophobicContact CG2-CG1 3.79Å; I314-I420 HydrophobicContact CG2-CG2 4.09Å; I314-S422 CarbonylContact C-O 3.58Å; I314-S422 WeakPolarHBondContact CA-O 3.07Å
315	G	98.5	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	167.3	0	0	0	0	0	109.8	V421 S422	G315-V421 WeakPolarHBondContact O-CG2 3.29Å; G315-V421 PolarHBondContact O-N 3.31Å; G315-S422 PolarHBondContact N-O 2.86Å; G315-S422 PolarHBondContact O-N 3.49Å; G315-S422 VanDerWaalsContact O-N 3.14Å
316	I	98.5	Very high	96.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.8	177.4	61.2	170.7	0	0	0	111.8	I314 I318 V320 K370 T371 I373 F413 I416 H419 I420	I314-I316 HydrophobicContact CG2-CG2 3.96Å; I316-I318 VanDerWaalsContact C-N 3.29Å; I316-I318 HydrophobicContact CD1-CD1 4.27Å; I316-I318 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG1-CG1 4.24Å; I316-I318 PolarHBondContact O-N 2.8Å; I316-V320 HydrophobicContact CD1-CG1 3.99Å; I316-V320 HydrophobicContact CD1-CG2 4.42Å; I316-K370 VanDerWaalsContact O-CB 3.28Å; I316-K370 WeakPolarHBondContact O-CB 3.34Å; I316-T371 VanDerWaalsContact CG1-O 3.3Å; I316-T371 WeakPolarHBondContact CG1-O 3.45Å; I316-T371 PolarHBondContact N-O 3.04Å; I316-T371 PolarHBondContact O-N 3.33Å; I316-T371 VanDerWaalsContact O-N 3.17Å; I316-I373 HydrophobicContact CD1-CD1 3.76Å; I316-I373 HydrophobicContact CG1-CD1 4.19Å; I316-I373 HydrophobicContact CG2-CD1 4.34Å; I316-F413 HydrophobicContact CD1-CE1 4.18Å; I316-I416 HydrophobicContact CG2-CD1 4.39Å; I316-I416 HydrophobicContact CG2-CG1 3.92Å; I316-H419 CarbonylContact C-O 3.48Å; I316-H419 WeakPolarHBondContact CA-O 3.48Å; I316-H419 HydrophobicContact CB-CB 4.06Å; I316-H419 HydrophobicContact CG2-CB 4.27Å; I316-I420 HydrophobicContact CG2-CG1 4.38Å
317	D	97.9	Very high	96.7	Very high	72 Å²	72	26.4 Å²	26.4	39%	0.385	13%	0.132	S	C	.	.	S	Bend	trans	-87.6	14.1	-174.8	70.2	-7.5	0	0	0	115.8	H419 V421	D317-H419 PolarHBondContact N-O 3.38Å; D317-H419 WeakPolarHBondContact OD1-CA 3.29Å; D317-H419 WeakPolarHBondContact OD1-CB 3.47Å; D317-H419 IonicContact OD1-CE1 3.62Å; D317-H419 IonicContact OD1-CG 2.73Å; D317-H419 IonicContact OD1-ND1 2.64Å; D317-H419 PolarHBondContact OD1-ND1 3Å; D317-V421 HydrophobicContact CB-CG1 3.81Å; D317-V421 HydrophobicContact CB-CG2 4.42Å
318	I	97.6	Very high	96.9	Very high	51 Å²	51	26.3 Å²	26.3	26%	0.262	13%	0.131	S	C	.	.	S	Bend	trans	-122.9	149	175.4	56.8	170.1	0	0	0	111.3	I316 V320 G369 K370 T371 H419	I316-I318 VanDerWaalsContact C-N 3.29Å; I316-I318 HydrophobicContact CD1-CD1 4.27Å; I316-I318 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG1-CG1 4.24Å; I316-I318 PolarHBondContact O-N 2.8Å; I318-V320 HydrophobicContact CD1-CG1 3.79Å; I318-V320 HydrophobicContact CG1-CG1 3.94Å; I318-G369 CarbonylContact C-O 3.22Å; I318-G369 WeakPolarHBondContact CA-O 3.39Å; I318-K370 CarbonylContact O-C 3.2Å; I318-T371 WeakPolarHBondContact O-CB 3.29Å; I318-T371 PolarHBondContact O-N 2.97Å; I318-T371 VanDerWaalsContact O-N 3.12Å; I318-T371 PolarHBondContact O-OG1 2.76Å; I318-H419 HydrophobicContact CG1-CB 4.4Å; I318-H419 WeakPolarHBondContact CG2-ND1 3.47Å
319	D	97.5	Very high	96.9	Very high	65 Å²	65	26.3 Å²	26.3	35%	0.348	13%	0.131	S	C	.	.			trans	-87.5	116	170.6	-172.8	-11.5	0	0	0	109	T321 K363 G369 T371	D319-T321 VanDerWaalsContact OD1-CB 3.25Å; D319-T321 WeakPolarHBondContact OD1-CB 3.41Å; D319-T321 VanDerWaalsContact OD1-CG2 3.25Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.33Å; D319-T321 PolarHBondContact OD1-N 3.19Å; D319-T321 PolarHBondContact OD1-OG1 3.26Å; D319-K363 IonicContact OD2-NZ 3.8Å; D319-G369 PolarHBondContact N-O 3.31Å; D319-T371 WeakPolarHBondContact CA-OG1 3.05Å
320	V	97.2	Very high	96.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.131	C	C	.	.			trans	-111.3	8.3	178.3	-56.1	0	0	0	0	112.4	I316 I318 D322 Q323 V324 T371 V412 F413	I316-V320 HydrophobicContact CD1-CG1 3.99Å; I316-V320 HydrophobicContact CD1-CG2 4.42Å; I318-V320 HydrophobicContact CD1-CG1 3.79Å; I318-V320 HydrophobicContact CG1-CG1 3.94Å; V320-D322 PolarHBondContact O-N 2.93Å; V320-D322 VanDerWaalsContact O-N 3.08Å; V320-Q323 PolarHBondContact O-N 2.77Å; V320-V324 HydrophobicContact CG2-CG2 3.99Å; V320-V324 PolarHBondContact O-N 3.37Å; V320-T371 HydrophobicContact CG2-CG2 3.71Å; V320-T371 PolarHBondContact N-OG1 3.31Å; V320-V412 HydrophobicContact CB-CG1 4.2Å; V320-V412 HydrophobicContact CB-CG2 3.87Å; V320-V412 HydrophobicContact CG1-CG1 4.31Å; V320-V412 HydrophobicContact CG1-CG2 3.42Å; V320-V412 VanDerWaalsContact CG1-CG2 3.42Å; V320-F413 HydrophobicContact CB-CE1 4.48Å; V320-F413 HydrophobicContact CG1-CE1 4.34Å; V320-F413 HydrophobicContact CG2-CE1 3.86Å; V320-F413 HydrophobicContact CG2-CZ 4.14Å
321	T	96.2	Very high	96.7	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.074	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.7	-165.9	55.1	0	0	0	0	114.6	D319 A359 V360	D319-T321 VanDerWaalsContact OD1-CB 3.25Å; D319-T321 WeakPolarHBondContact OD1-CB 3.41Å; D319-T321 VanDerWaalsContact OD1-CG2 3.25Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.33Å; D319-T321 PolarHBondContact OD1-N 3.19Å; D319-T321 PolarHBondContact OD1-OG1 3.26Å; T321-A359 HydrophobicContact CG2-CB 3.69Å; T321-V360 HydrophobicContact CG2-CG2 4.25Å
322	D	95.9	Very high	96.5	Very high	147 Å²	147	26.7 Å²	26.7	79%	0.786	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-11.1	175	-67.8	-35.9	0	0	0	113.6	V320	V320-D322 PolarHBondContact O-N 2.93Å; V320-D322 VanDerWaalsContact O-N 3.08Å
323	Q	95.6	Very high	96.1	Very high	117 Å²	117	32.9 Å²	32.9	55%	0.547	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-16.7	-172.4	-64.7	170.6	-73.2	0	0	113.6	V320 V412	V320-Q323 PolarHBondContact O-N 2.77Å; Q323-V412 HydrophobicContact CB-CB 4.25Å; Q323-V412 HydrophobicContact CB-CG1 4.4Å; Q323-V412 HydrophobicContact CB-CG2 4.26Å
324	V	96.3	Very high	95.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.192	C	C	.	.	S	Bend	trans	-126.9	167.5	-178.8	-60.7	0	0	0	0	111.9	V320 V357 V360 I410 V412 F413	V320-V324 HydrophobicContact CG2-CG2 3.99Å; V320-V324 PolarHBondContact O-N 3.37Å; V324-V357 HydrophobicContact CG2-CB 4.15Å; V324-V357 HydrophobicContact CG2-CG1 4Å; V324-V357 HydrophobicContact CG2-CG2 4.01Å; V324-V360 HydrophobicContact CG2-CG2 4.1Å; V324-I410 HydrophobicContact CG1-CG2 3.84Å; V324-V412 HydrophobicContact CG1-CG1 3.46Å; V324-V412 VanDerWaalsContact CG1-CG1 3.46Å; V324-F413 HydrophobicContact CG1-CE2 4.14Å; V324-F413 HydrophobicContact CG1-CZ 4.02Å
325	R	95.6	Very high	95.1	Very high	73 Å²	73	38.2 Å²	38.2	28%	0.275	20%	0.195	S	C	.	.			trans	-94.1	165.6	169.9	-60.8	-56.1	176.8	-136.6	1.7	111.2	D87 H327 N328	D87-R325 HydrophobicContact CB-CB 4.45Å; D87-R325 HydrophobicContact CB-CG 4.06Å; D87-R325 WeakPolarHBondContact OD1-CG 3.34Å; D87-R325 VanDerWaalsContact OD2-CG 3.31Å; D87-R325 WeakPolarHBondContact OD2-CG 3.45Å; R325-H327 VanDerWaalsContact C-N 3.29Å; R325-H327 PolarHBondContact O-N 2.95Å; R325-N328 PolarHBondContact N-OD1 3.5Å; R325-N328 PolarHBondContact O-ND2 3.18Å
326	L	97.3	Very high	94.4	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.047	22%	0.217	C	C	.	.	S	Bend	trans	-58.2	-45	173.9	179.8	68.8	0	0	0	111	L82 F216 Y356 V357 V360 A361	L82-L326 HydrophobicContact CD1-CD2 3.46Å; L82-L326 VanDerWaalsContact CD1-CD2 3.46Å; L82-L326 HydrophobicContact CD2-CD2 4.01Å; L82-L326 HydrophobicContact CG-CD2 4.37Å; F216-L326 HydrophobicContact CB-CD2 4.41Å; F216-L326 HydrophobicContact CD2-CD1 4.34Å; F216-L326 HydrophobicContact CD2-CD2 3.77Å; F216-L326 HydrophobicContact CE2-CD1 4.31Å; F216-L326 HydrophobicContact CG-CD2 4.45Å; L326-Y356 HydrophobicContact CD1-CD2 4.04Å; L326-Y356 HydrophobicContact CD1-CE2 3.41Å; L326-Y356 VanDerWaalsContact CD1-CE2 3.41Å; L326-Y356 HydrophobicContact CD2-CE2 4.16Å; L326-Y356 HydrophobicContact CG-CD2 4.08Å; L326-Y356 HydrophobicContact CG-CE2 3.62Å; L326-Y356 CarbonylContact O-C 3.51Å; L326-Y356 WeakPolarHBondContact O-CA 3.12Å; L326-Y356 VanDerWaalsContact O-CD2 3.24Å; L326-Y356 WeakPolarHBondContact O-CD2 3.46Å; L326-V357 VanDerWaalsContact CD1-O 3.31Å; L326-V357 WeakPolarHBondContact CD1-O 3.01Å; L326-V357 PolarHBondContact O-N 3.2Å; L326-V360 HydrophobicContact CB-CB 4.36Å; L326-V360 HydrophobicContact CB-CG1 4.33Å; L326-V360 HydrophobicContact CD1-CB 4.47Å; L326-A361 HydrophobicContact CD1-CB 3.92Å; L326-A361 HydrophobicContact CD2-CB 4.11Å
327	H	96.4	Very high	94	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.6	-179.4	-59.7	-59.8	0	0	0	109.1	T54 I85 Y86 D87 R325 Y354 Y356	T54-H327 PolarHBondContact O-CE1 2.82Å; I85-H327 WeakPolarHBondContact O-CB 3.18Å; I85-H327 PolarHBondContact O-CD2 2.94Å; Y86-H327 CarbonylContact C-O 3.53Å; Y86-H327 WeakPolarHBondContact CA-O 3.26Å; Y86-H327 VanDerWaalsContact CB-O 3.23Å; Y86-H327 WeakPolarHBondContact CB-O 3.32Å; D87-H327 PolarHBondContact N-O 2.86Å; R325-H327 VanDerWaalsContact C-N 3.29Å; R325-H327 PolarHBondContact O-N 2.95Å; H327-Y354 HydrophobicContact CB-CE2 4.14Å; H327-Y354 PolarHBondContact CE1-OH 3.01Å; H327-Y354 AromaticContact ND1-CE2 3.97Å; H327-Y354 AromaticContact ND1-CZ 3.76Å; H327-Y354 PolarHBondContact ND1-OH 3.4Å; H327-Y356 AromaticContact CE1-CD2 3.55Å; H327-Y356 AromaticContact CE1-CE2 3.47Å; H327-Y356 VanDerWaalsContact CE1-CE2 3.47Å; H327-Y356 WeakPolarHBondContact CE1-CE2 3.46Å; H327-Y356 AromaticContact ND1-CD2 3.44Å; H327-Y356 WeakPolarHBondContact ND1-CD2 3.35Å; H327-Y356 AromaticContact ND1-CE2 3.85Å
328	N	96.4	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.8	179.7	-42.7	-94.6	0	0	0	109.5	D87 Y89 R325 Y354 V355 I410	D87-N328 CarbonylContact O-C 3.48Å; D87-N328 VanDerWaalsContact O-CA 3.28Å; D87-N328 WeakPolarHBondContact O-CA 3.33Å; Y89-N328 HydrophobicContact CE2-CB 4.1Å; R325-N328 PolarHBondContact N-OD1 3.5Å; R325-N328 PolarHBondContact O-ND2 3.18Å; N328-Y354 WeakPolarHBondContact O-CD2 3.42Å; N328-V355 HydrophobicContact CB-CB 4.22Å; N328-V355 PolarHBondContact N-O 3.48Å; N328-V355 PolarHBondContact ND2-O 2.98Å; N328-V355 PolarHBondContact O-N 3.38Å; N328-I410 HydrophobicContact CB-CD1 4.2Å
329	V	95	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.6	-179.7	-178.9	0	0	0	0	108.1	D87 V88 Y89 F186 F331 Y354	D87-V329 PolarHBondContact O-N 3.15Å; V88-V329 CarbonylContact C-O 3.54Å; V88-V329 WeakPolarHBondContact CA-O 3.44Å; V88-V329 HydrophobicContact CG2-CB 4.36Å; Y89-V329 PolarHBondContact N-O 3.36Å; F186-V329 HydrophobicContact CD1-CG1 4.08Å; F186-V329 HydrophobicContact CD1-CG2 4.06Å; F186-V329 HydrophobicContact CD2-CG1 3.68Å; F186-V329 HydrophobicContact CE1-CB 4.12Å; F186-V329 HydrophobicContact CE1-CG1 3.75Å; F186-V329 HydrophobicContact CE1-CG2 3.25Å; F186-V329 HydrophobicContact CE2-CB 4.41Å; F186-V329 HydrophobicContact CE2-CG1 3.31Å; F186-V329 HydrophobicContact CE2-CG2 4.24Å; F186-V329 HydrophobicContact CG-CG1 4.06Å; F186-V329 HydrophobicContact CZ-CB 4Å; F186-V329 HydrophobicContact CZ-CG1 3.36Å; F186-V329 HydrophobicContact CZ-CG2 3.37Å; V329-F331 HydrophobicContact CG1-CD2 4.2Å; V329-F331 HydrophobicContact CG1-CE2 4.1Å; V329-Y354 HydrophobicContact CG2-CD2 4.39Å
330	I	95.4	Very high	92.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.8	174.6	-57	152.6	0	0	0	106.6	Y89 S352 I353 V355 K406 L407 T409 I410	Y89-I330 HydrophobicContact CD2-CG1 4.3Å; Y89-I330 HydrophobicContact CG-CG1 4.42Å; I330-S352 CarbonylContact O-C 3.55Å; I330-S352 VanDerWaalsContact O-CA 3.25Å; I330-S352 WeakPolarHBondContact O-CA 3.23Å; I330-I353 HydrophobicContact CB-CG1 3.93Å; I330-I353 HydrophobicContact CD1-CD1 3.79Å; I330-I353 HydrophobicContact CD1-CG1 3.91Å; I330-I353 HydrophobicContact CG1-CG1 4.45Å; I330-I353 PolarHBondContact N-O 3.5Å; I330-I353 PolarHBondContact O-N 2.99Å; I330-V355 HydrophobicContact CD1-CG2 3.93Å; I330-K406 WeakPolarHBondContact CD1-O 3.45Å; I330-L407 HydrophobicContact CD1-CD2 4.44Å; I330-T409 HydrophobicContact CG2-CG2 4.16Å; I330-I410 HydrophobicContact CD1-CD1 3.98Å; I330-I410 HydrophobicContact CD1-CG1 4.09Å; I330-I410 HydrophobicContact CG1-CD1 4.34Å; I330-I410 HydrophobicContact CG1-CG1 4.33Å
331	F	92.5	Very high	92.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	20%	0.204	C	C	.	.			trans	-75.3	152.9	179.8	-85.6	-84.7	0	0	0	111.5	V88 Y89 F90 K182 F186 V329 F335 K406	V88-F331 HydrophobicContact CG1-CD2 3.41Å; V88-F331 VanDerWaalsContact CG1-CD2 3.41Å; V88-F331 HydrophobicContact CG1-CE2 3.33Å; Y89-F331 PolarHBondContact O-N 3.2Å; F90-F331 HydrophobicContact CD1-CB 4.24Å; F90-F331 HydrophobicContact CD1-CD2 4.1Å; F90-F331 HydrophobicContact CD1-CG 4.32Å; F90-F331 AromaticContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CE2 4.04Å; F90-F331 HydrophobicContact CE1-CG 4.18Å; F90-F331 HydrophobicContact CZ-CD2 4.25Å; F90-F331 HydrophobicContact CZ-CE2 4.23Å; K182-F331 HydrophobicContact CB-CE1 4.26Å; K182-F331 HydrophobicContact CB-CZ 4.09Å; K182-F331 WeakPolarHBondContact O-CZ 3.45Å; F186-F331 HydrophobicContact CB-CE1 3.75Å; F186-F331 HydrophobicContact CB-CE2 4.35Å; F186-F331 HydrophobicContact CB-CZ 3.35Å; F186-F331 HydrophobicContact CD2-CE1 4.2Å; F186-F331 HydrophobicContact CD2-CZ 4.17Å; F186-F331 HydrophobicContact CG-CE1 4.3Å; F186-F331 AromaticContact CG-CZ 3.89Å; F186-F331 HydrophobicContact CG-CZ 3.89Å; V329-F331 HydrophobicContact CG1-CD2 4.2Å; V329-F331 HydrophobicContact CG1-CE2 4.1Å; F331-F335 HydrophobicContact CD1-CB 4.33Å; F331-F335 AromaticContact CD1-CD2 3.56Å; F331-F335 HydrophobicContact CD1-CD2 3.56Å; F331-F335 AromaticContact CD1-CE2 3.99Å; F331-F335 HydrophobicContact CD1-CE2 3.99Å; F331-F335 AromaticContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CE1-CD1 4.35Å; F331-F335 AromaticContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CE1 4.39Å; F331-F335 AromaticContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CG 4.03Å; F331-F335 HydrophobicContact CE1-CZ 4.12Å; F331-K406 PolarHBondContact O-NZ 3.41Å
332	S	92.4	Very high	92.4	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	20%	0.202	C	C	.	.			trans	-74.8	153	160.3	58.4	0	0	0	0	111	D334 F335 N338 D350 S352	S332-D334 VanDerWaalsContact C-N 3.3Å; S332-D334 PolarHBondContact O-N 2.95Å; S332-D334 VanDerWaalsContact OG-C 3.27Å; S332-D334 PolarHBondContact OG-O 2.92Å; S332-D334 VanDerWaalsContact OG-O 3.05Å; S332-F335 WeakPolarHBondContact OG-CA 3.26Å; S332-F335 PolarHBondContact OG-N 3.49Å; S332-N338 VanDerWaalsContact OG-CB 3.31Å; S332-N338 WeakPolarHBondContact OG-CB 3.38Å; S332-D350 VanDerWaalsContact CA-OD2 3.31Å; S332-D350 WeakPolarHBondContact CA-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-O 3.47Å; S332-D350 VanDerWaalsContact CB-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-OD2 3.3Å; S332-S352 PolarHBondContact N-OG 3.1Å; S332-S352 PolarHBondContact OG-OG 3.41Å
333	D	90.2	Very high	92	Very high	131 Å²	131	36 Å²	36	70%	0.701	17%	0.171	S	C	*	.	S	Bend	trans	-60.6	-45.9	175.6	-66.8	-16.7	0	0	0	109.4	D350	D333-D350 PolarHBondContact N-OD2 3.49Å
334	D	89.5	Confident	91.9	Very high	98 Å²	98	35.5 Å²	35.5	52%	0.524	17%	0.169	S	C	.	.	S	Bend	trans	-103.1	84.5	168.7	-174.5	7.9	0	0	0	111.2	S332 R336 G337 N338	S332-D334 VanDerWaalsContact C-N 3.3Å; S332-D334 PolarHBondContact O-N 2.95Å; S332-D334 VanDerWaalsContact OG-C 3.27Å; S332-D334 PolarHBondContact OG-O 2.92Å; S332-D334 VanDerWaalsContact OG-O 3.05Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.44Å; D334-R336 PolarHBondContact OD1-N 3.32Å; D334-G337 VanDerWaalsContact CG-N 3.27Å; D334-G337 PolarHBondContact OD1-N 2.93Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; D334-G337 PolarHBondContact OD2-N 2.92Å; D334-N338 WeakPolarHBondContact O-CB 3.4Å; D334-N338 PolarHBondContact O-N 2.97Å
335	F	86	Confident	91.7	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-39.5	175.1	-175.4	-117.7	0	0	0	112.6	A185 L189 P195 F331 S332 N338 I339 S352	A185-F335 HydrophobicContact CB-CE1 4.47Å; L189-F335 HydrophobicContact CD1-CE2 3.87Å; L189-F335 HydrophobicContact CD1-CZ 3.99Å; P195-F335 HydrophobicContact CG-CE1 4.48Å; F331-F335 HydrophobicContact CD1-CB 4.33Å; F331-F335 AromaticContact CD1-CD2 3.56Å; F331-F335 HydrophobicContact CD1-CD2 3.56Å; F331-F335 AromaticContact CD1-CE2 3.99Å; F331-F335 HydrophobicContact CD1-CE2 3.99Å; F331-F335 AromaticContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CE1-CD1 4.35Å; F331-F335 AromaticContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CE1 4.39Å; F331-F335 AromaticContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CG 4.03Å; F331-F335 HydrophobicContact CE1-CZ 4.12Å; S332-F335 WeakPolarHBondContact OG-CA 3.26Å; S332-F335 PolarHBondContact OG-N 3.49Å; F335-N338 PolarHBondContact O-N 3.38Å; F335-I339 HydrophobicContact CE1-CG1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.03Å; F335-I339 HydrophobicContact CE2-CG1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.94Å; F335-I339 HydrophobicContact CZ-CG1 4.06Å; F335-I339 WeakPolarHBondContact O-CG1 3.26Å; F335-I339 PolarHBondContact O-N 3.44Å; F335-I339 VanDerWaalsContact O-N 3.15Å; F335-S352 WeakPolarHBondContact CD2-OG 3.35Å
336	R	83.6	Confident	91.7	Very high	127 Å²	127	38.1 Å²	38.1	48%	0.479	18%	0.183	S	C	.	.	H	α-helix	trans	-69	-46.1	-177.7	-79.8	180	151.1	158.4	-1.9	110.9	D168 E172 D334 N338 I339 E340	D168-R336 IonicContact OD2-NH2 3.97Å; E172-R336 IonicContact OE1-NH2 2.68Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.44Å; D334-R336 PolarHBondContact OD1-N 3.32Å; R336-N338 VanDerWaalsContact C-N 3.34Å; R336-N338 PolarHBondContact O-N 3.46Å; R336-I339 PolarHBondContact O-N 3.5Å; R336-E340 WeakPolarHBondContact O-CG 3.46Å; R336-E340 PolarHBondContact O-N 3.22Å
337	G	89.5	Confident	91.5	Very high	13 Å²	13	39.4 Å²	39.4	13%	0.134	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-44.1	173.9	0	0	0	0	0	112.2	D334 I339 E340 E341	D334-G337 VanDerWaalsContact CG-N 3.27Å; D334-G337 PolarHBondContact OD1-N 2.93Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; D334-G337 PolarHBondContact OD2-N 2.92Å; G337-I339 VanDerWaalsContact C-N 3.35Å; G337-I339 PolarHBondContact O-N 3.19Å; G337-E340 PolarHBondContact O-N 3.02Å; G337-E341 VanDerWaalsContact O-CG 3.28Å; G337-E341 WeakPolarHBondContact O-CG 3.44Å; G337-E341 PolarHBondContact O-N 3.34Å
338	N	90.8	Very high	91.3	Very high	2 Å²	2	40 Å²	40	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-43.8	177.6	174.2	-135	0	0	0	112.8	S332 D334 F335 R336 I342 S348 S352	S332-N338 VanDerWaalsContact OG-CB 3.31Å; S332-N338 WeakPolarHBondContact OG-CB 3.38Å; D334-N338 WeakPolarHBondContact O-CB 3.4Å; D334-N338 PolarHBondContact O-N 2.97Å; F335-N338 PolarHBondContact O-N 3.38Å; R336-N338 VanDerWaalsContact C-N 3.34Å; R336-N338 PolarHBondContact O-N 3.46Å; N338-I342 WeakPolarHBondContact O-CD1 3.39Å; N338-I342 WeakPolarHBondContact O-CG1 3.45Å; N338-I342 PolarHBondContact O-N 2.95Å; N338-S348 VanDerWaalsContact ND2-CB 3.26Å; N338-S348 WeakPolarHBondContact ND2-CB 3.25Å; N338-S348 PolarHBondContact ND2-OG 2.9Å; N338-S352 WeakPolarHBondContact OD1-CB 3.47Å; N338-S352 PolarHBondContact OD1-N 3.05Å; N338-S352 PolarHBondContact OD1-OG 3.1Å
339	I	87.7	Confident	91.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-48.7	174.6	-62.8	-59.6	0	0	0	111.3	L189 D194 F335 R336 G337 E341 I342 F343	L189-I339 HydrophobicContact CD1-CD1 3.87Å; L189-I339 HydrophobicContact CD2-CD1 3.37Å; L189-I339 HydrophobicContact CG-CD1 3.91Å; D194-I339 HydrophobicContact CB-CG2 3.74Å; D194-I339 WeakPolarHBondContact OD1-CG2 3.32Å; F335-I339 HydrophobicContact CE1-CG1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.03Å; F335-I339 HydrophobicContact CE2-CG1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.94Å; F335-I339 HydrophobicContact CZ-CG1 4.06Å; F335-I339 WeakPolarHBondContact O-CG1 3.26Å; F335-I339 PolarHBondContact O-N 3.44Å; F335-I339 VanDerWaalsContact O-N 3.15Å; R336-I339 PolarHBondContact O-N 3.5Å; G337-I339 VanDerWaalsContact C-N 3.35Å; G337-I339 PolarHBondContact O-N 3.19Å; I339-E341 VanDerWaalsContact C-N 3.31Å; I339-E341 PolarHBondContact O-N 3.09Å; I339-I342 PolarHBondContact O-N 2.95Å; I339-F343 HydrophobicContact CG2-CD2 3.91Å; I339-F343 HydrophobicContact CG2-CE2 3.99Å; I339-F343 VanDerWaalsContact O-CD2 3.31Å; I339-F343 WeakPolarHBondContact O-CD2 2.89Å; I339-F343 PolarHBondContact O-N 3.22Å
340	E	89.4	Confident	91.1	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-41.9	-177.6	-73	171.9	-169.3	0	0	111.3	K196 R336 G337 I342 F343 E344	K196-E340 IonicContact NZ-OE1 2.83Å; K196-E340 PolarHBondContact NZ-OE1 3.41Å; R336-E340 WeakPolarHBondContact O-CG 3.46Å; R336-E340 PolarHBondContact O-N 3.22Å; G337-E340 PolarHBondContact O-N 3.02Å; E340-I342 PolarHBondContact O-N 3.09Å; E340-F343 PolarHBondContact O-N 3.37Å; E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.41Å; E340-E344 VanDerWaalsContact O-CG 3.24Å; E340-E344 WeakPolarHBondContact O-CG 3.36Å; E340-E344 PolarHBondContact O-N 3.46Å
341	E	92.9	Very high	91.1	Very high	46 Å²	46	49.6 Å²	49.6	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-45.6	175.6	-72.3	172.9	144.1	0	0	112.8	G337 I339 F343 E344 G345 R346 S348	G337-E341 VanDerWaalsContact O-CG 3.28Å; G337-E341 WeakPolarHBondContact O-CG 3.44Å; G337-E341 PolarHBondContact O-N 3.34Å; I339-E341 VanDerWaalsContact C-N 3.31Å; I339-E341 PolarHBondContact O-N 3.09Å; E341-F343 PolarHBondContact O-N 3.21Å; E341-E344 CarbonylContact O-C 3.59Å; E341-E344 PolarHBondContact O-N 3.41Å; E341-G345 PolarHBondContact O-N 3.5Å; E341-R346 CarbonylContact C-O 3.35Å; E341-R346 HydrophobicContact CB-CB 4.2Å; E341-R346 PolarHBondContact O-N 3.19Å; E341-S348 WeakPolarHBondContact OE2-CA 3.22Å; E341-S348 WeakPolarHBondContact OE2-CB 3.31Å; E341-S348 PolarHBondContact OE2-OG 3.31Å
342	I	91.7	Very high	91.1	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-48	179.7	-67.4	158.5	0	0	0	111	C307 N338 I339 E340 E344 G345 P378 P380	C307-I342 HydrophobicContact CB-CG2 3.66Å; N338-I342 WeakPolarHBondContact O-CD1 3.39Å; N338-I342 WeakPolarHBondContact O-CG1 3.45Å; N338-I342 PolarHBondContact O-N 2.95Å; I339-I342 PolarHBondContact O-N 2.95Å; E340-I342 PolarHBondContact O-N 3.09Å; I342-E344 VanDerWaalsContact C-N 3.29Å; I342-E344 PolarHBondContact O-N 3.05Å; I342-G345 PolarHBondContact O-N 3.43Å; I342-P378 HydrophobicContact CD1-CB 3.79Å; I342-P380 WeakPolarHBondContact O-CB 3.34Å; I342-P380 VanDerWaalsContact O-CG 3.31Å; I342-P380 WeakPolarHBondContact O-CG 3.41Å
343	F	88.7	Confident	91.3	Very high	32 Å²	32	49.4 Å²	49.4	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-81	-9.3	-177.1	-68.4	-77	0	0	0	113.7	G192 D194 C307 I339 E340 E341 M446	G192-F343 WeakPolarHBondContact O-CZ 3.34Å; D194-F343 HydrophobicContact CB-CD2 3.7Å; D194-F343 HydrophobicContact CB-CE2 3.6Å; D194-F343 HydrophobicContact CB-CG 4.42Å; D194-F343 HydrophobicContact CB-CZ 4.23Å; D194-F343 VanDerWaalsContact N-CE2 3.28Å; D194-F343 VanDerWaalsContact N-CZ 3.27Å; C307-F343 HydrophobicContact CB-CE1 4.41Å; C307-F343 HydrophobicContact CB-CZ 4.31Å; I339-F343 HydrophobicContact CG2-CD2 3.91Å; I339-F343 HydrophobicContact CG2-CE2 3.99Å; I339-F343 VanDerWaalsContact O-CD2 3.31Å; I339-F343 WeakPolarHBondContact O-CD2 2.89Å; I339-F343 PolarHBondContact O-N 3.22Å; E340-F343 PolarHBondContact O-N 3.37Å; E341-F343 PolarHBondContact O-N 3.21Å; F343-M446 HydrophobicContact CD1-CE 4.17Å; F343-M446 HydrophobicContact CE1-CE 3.73Å
344	E	92	Very high	91.5	Very high	106 Å²	106	43.9 Å²	43.9	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.8	169.9	-68.7	-178.8	167.6	0	0	113.1	E340 E341 I342 R346	E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.41Å; E340-E344 VanDerWaalsContact O-CG 3.24Å; E340-E344 WeakPolarHBondContact O-CG 3.36Å; E340-E344 PolarHBondContact O-N 3.46Å; E341-E344 CarbonylContact O-C 3.59Å; E341-E344 PolarHBondContact O-N 3.41Å; I342-E344 VanDerWaalsContact C-N 3.29Å; I342-E344 PolarHBondContact O-N 3.05Å; E344-R346 IonicContact OE2-CZ 3.96Å; E344-R346 IonicContact OE2-NH1 3.63Å; E344-R346 PolarHBondContact OE2-NH1 2.92Å; E344-R346 IonicContact OE2-NH2 3.44Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å
345	G	93.5	Very high	91.9	Very high	16 Å²	16	39.2 Å²	39.2	17%	0.165	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	21.7	174.6	0	0	0	0	0	114.7	E341 I342	E341-G345 PolarHBondContact O-N 3.5Å; I342-G345 PolarHBondContact O-N 3.43Å
346	R	94.1	Very high	92.5	Very high	112 Å²	112	38.6 Å²	38.6	42%	0.423	18%	0.175	S	C	.	.			trans	-112.3	153.4	179.8	-61.2	-166.7	-59.9	-79.9	-0.8	112.1	E341 E344 P380	E341-R346 CarbonylContact C-O 3.35Å; E341-R346 HydrophobicContact CB-CB 4.2Å; E341-R346 PolarHBondContact O-N 3.19Å; E344-R346 IonicContact OE2-CZ 3.96Å; E344-R346 IonicContact OE2-NH1 3.63Å; E344-R346 PolarHBondContact OE2-NH1 2.92Å; E344-R346 IonicContact OE2-NH2 3.44Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å; R346-P380 WeakPolarHBondContact O-CG 3.33Å
347	L	94.4	Very high	93.2	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.194	15%	0.153	C	C	.	.			trans	-93.2	134.6	169.2	-63.5	174.4	0	0	0	109.5	M377 T379 I388 W390 L395 I399	L347-M377 HydrophobicContact CD2-CE 4.41Å; L347-T379 HydrophobicContact CD2-CG2 3.81Å; L347-I388 HydrophobicContact CD1-CD1 4.35Å; L347-I388 HydrophobicContact CD1-CG2 4.02Å; L347-I388 HydrophobicContact CD2-CD1 4.1Å; L347-I388 HydrophobicContact CG-CD1 3.84Å; L347-W390 HydrophobicContact CD1-CH2 4.33Å; L347-W390 HydrophobicContact CD2-CH2 3.76Å; L347-W390 HydrophobicContact CD2-CZ2 4.16Å; L347-L395 HydrophobicContact CD1-CD1 3.86Å; L347-L395 HydrophobicContact CD1-CD2 4.32Å; L347-L395 HydrophobicContact CD1-CG 4.49Å; L347-I399 HydrophobicContact CD1-CD1 3.85Å; L347-I399 HydrophobicContact CD1-CG1 4.37Å
348	S	92	Very high	93.5	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.091	15%	0.147	C	C	.	.			trans	-81.1	141.4	179.3	-164	0	0	0	0	111.8	N338 E341 D350	N338-S348 VanDerWaalsContact ND2-CB 3.26Å; N338-S348 WeakPolarHBondContact ND2-CB 3.25Å; N338-S348 PolarHBondContact ND2-OG 2.9Å; E341-S348 WeakPolarHBondContact OE2-CA 3.22Å; E341-S348 WeakPolarHBondContact OE2-CB 3.31Å; E341-S348 PolarHBondContact OE2-OG 3.31Å; S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact OG-N 3.41Å; S348-D350 PolarHBondContact OG-O 3.16Å
349	Y	92.6	Very high	93.8	Very high	161 Å²	161	32.1 Å²	32.1	63%	0.631	15%	0.148	S	C	*	.	S	Bend	trans	-81.3	-14.7	170.2	-71.7	-82.3	0	0	0	113.1	Q398 I402 R405	Y349-Q398 VanDerWaalsContact CE1-NE2 3.32Å; Y349-I402 HydrophobicContact CD1-CD1 4.29Å; Y349-R405 PolarHBondContact O-NH2 3.17Å
350	D	94.6	Very high	94.3	Very high	42 Å²	42	34.4 Å²	34.4	23%	0.225	16%	0.162	C	C	.	.	S	Bend	trans	-134.8	76.7	173.3	177.9	37.7	0	0	0	109.1	S332 D333 S348 K406	S332-D350 VanDerWaalsContact CA-OD2 3.31Å; S332-D350 WeakPolarHBondContact CA-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-O 3.47Å; S332-D350 VanDerWaalsContact CB-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-OD2 3.3Å; D333-D350 PolarHBondContact N-OD2 3.49Å; S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact OG-N 3.41Å; S348-D350 PolarHBondContact OG-O 3.16Å; D350-K406 WeakPolarHBondContact OD1-CD 3.31Å; D350-K406 WeakPolarHBondContact OD1-CE 3.19Å; D350-K406 IonicContact OD1-NZ 3.49Å; D350-K406 PolarHBondContact OD1-NZ 3.13Å
351	P	94.8	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.158	C	C	.	.			trans	-80.5	147.7	-179.1	31.7	-34	0	0	0	111.7	I353 M377 I402 K406	P351-I353 HydrophobicContact CB-CG2 4.33Å; P351-I353 HydrophobicContact CG-CG2 4.1Å; P351-M377 HydrophobicContact CB-CG 3.74Å; P351-M377 HydrophobicContact CB-SD 3.92Å; P351-M377 HydrophobicContact CG-CG 3.99Å; P351-M377 HydrophobicContact CG-SD 3.62Å; P351-I402 HydrophobicContact CG-CG2 3.63Å; P351-K406 VanDerWaalsContact O-CE 3.24Å; P351-K406 WeakPolarHBondContact O-CE 3.24Å
352	S	93.8	Very high	94.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.153	C	C	.	.			trans	-71.5	131.6	158.7	-62.5	0	0	0	0	109.4	I330 S332 F335 N338 P378	I330-S352 CarbonylContact O-C 3.55Å; I330-S352 VanDerWaalsContact O-CA 3.25Å; I330-S352 WeakPolarHBondContact O-CA 3.23Å; S332-S352 PolarHBondContact N-OG 3.1Å; S332-S352 PolarHBondContact OG-OG 3.41Å; F335-S352 WeakPolarHBondContact CD2-OG 3.35Å; N338-S352 WeakPolarHBondContact OD1-CB 3.47Å; N338-S352 PolarHBondContact OD1-N 3.05Å; N338-S352 PolarHBondContact OD1-OG 3.1Å; S352-P378 WeakPolarHBondContact O-CD 3.39Å
353	I	95.3	Very high	95	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.4	-178.9	63	166.8	0	0	0	111.8	I330 P351 V355 V375 L376 M377 K406 L407	I330-I353 HydrophobicContact CB-CG1 3.93Å; I330-I353 HydrophobicContact CD1-CD1 3.79Å; I330-I353 HydrophobicContact CD1-CG1 3.91Å; I330-I353 HydrophobicContact CG1-CG1 4.45Å; I330-I353 PolarHBondContact N-O 3.5Å; I330-I353 PolarHBondContact O-N 2.99Å; P351-I353 HydrophobicContact CB-CG2 4.33Å; P351-I353 HydrophobicContact CG-CG2 4.1Å; I353-V355 HydrophobicContact CD1-CG2 4.12Å; I353-V355 HydrophobicContact CG1-CG2 4.4Å; I353-V375 HydrophobicContact CB-CG1 4.22Å; I353-V375 HydrophobicContact CD1-CG1 3.95Å; I353-L376 WeakPolarHBondContact CA-O 3.38Å; I353-M377 HydrophobicContact CG2-CB 4.05Å; I353-M377 HydrophobicContact CG2-CG 4.12Å; I353-K406 HydrophobicContact CD1-CB 3.51Å; I353-K406 HydrophobicContact CD1-CG 4.47Å; I353-K406 HydrophobicContact CG1-CB 4.06Å; I353-L407 HydrophobicContact CD1-CD2 4.16Å; I353-L407 HydrophobicContact CD1-CG 4.32Å
354	Y	95.6	Very high	95.4	Very high	15 Å²	15	40 Å²	40	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.4	173.4	166.3	-109.8	0	0	0	109.9	T54 I55 H327 N328 V329 Y356 Y374 V375 L376	T54-Y354 WeakPolarHBondContact CB-OH 3.27Å; T54-Y354 HydrophobicContact CG2-CE1 4.45Å; T54-Y354 WeakPolarHBondContact OG1-CE1 3.25Å; T54-Y354 PolarHBondContact OG1-OH 3.27Å; I55-Y354 HydrophobicContact CD1-CE2 4.38Å; H327-Y354 HydrophobicContact CB-CE2 4.14Å; H327-Y354 PolarHBondContact CE1-OH 3.01Å; H327-Y354 AromaticContact ND1-CE2 3.97Å; H327-Y354 AromaticContact ND1-CZ 3.76Å; H327-Y354 PolarHBondContact ND1-OH 3.4Å; N328-Y354 WeakPolarHBondContact O-CD2 3.42Å; V329-Y354 HydrophobicContact CG2-CD2 4.39Å; Y354-Y356 WeakPolarHBondContact OH-CB 3.16Å; Y354-Y374 HydrophobicContact CD1-CD1 4.26Å; Y354-Y374 AromaticContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CE1-CD1 4.08Å; Y354-Y374 AromaticContact CE1-CE1 3.86Å; Y354-Y374 HydrophobicContact CE1-CE1 3.86Å; Y354-V375 CarbonylContact O-C 3.57Å; Y354-V375 WeakPolarHBondContact O-CA 3.3Å; Y354-L376 HydrophobicContact CD1-CB 4.11Å; Y354-L376 PolarHBondContact N-O 3.02Å; Y354-L376 PolarHBondContact O-N 3.31Å
355	V	97.3	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.1	-176.2	-173.7	0	0	0	0	109.6	N328 I330 I353 V357 I373 Y374 V375 L407 F413	N328-V355 HydrophobicContact CB-CB 4.22Å; N328-V355 PolarHBondContact N-O 3.48Å; N328-V355 PolarHBondContact ND2-O 2.98Å; N328-V355 PolarHBondContact O-N 3.38Å; I330-V355 HydrophobicContact CD1-CG2 3.93Å; I353-V355 HydrophobicContact CD1-CG2 4.12Å; I353-V355 HydrophobicContact CG1-CG2 4.4Å; V355-V357 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG1-CG2 3.57Å; V355-Y374 CarbonylContact C-O 3.56Å; V355-Y374 WeakPolarHBondContact CA-O 3.3Å; V355-V375 HydrophobicContact CG2-CG1 4.47Å; V355-V375 HydrophobicContact CG2-CG2 4.5Å; V355-L407 HydrophobicContact CB-CD2 4.47Å; V355-L407 HydrophobicContact CG1-CD2 4.07Å; V355-L407 HydrophobicContact CG2-CD2 3.52Å; V355-F413 HydrophobicContact CG1-CE2 4.37Å
356	Y	97.5	Very high	95.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.6	-177.8	174.8	-118.8	0	0	0	111.1	T54 F216 L326 H327 Y354 P358 Y374	T54-Y356 HydrophobicContact CG2-CD1 3.53Å; T54-Y356 HydrophobicContact CG2-CE1 3.82Å; T54-Y356 HydrophobicContact CG2-CG 3.94Å; F216-Y356 WeakPolarHBondContact CE2-OH 3.45Å; L326-Y356 HydrophobicContact CD1-CD2 4.04Å; L326-Y356 HydrophobicContact CD1-CE2 3.41Å; L326-Y356 VanDerWaalsContact CD1-CE2 3.41Å; L326-Y356 HydrophobicContact CD2-CE2 4.16Å; L326-Y356 HydrophobicContact CG-CD2 4.08Å; L326-Y356 HydrophobicContact CG-CE2 3.62Å; L326-Y356 CarbonylContact O-C 3.51Å; L326-Y356 WeakPolarHBondContact O-CA 3.12Å; L326-Y356 VanDerWaalsContact O-CD2 3.24Å; L326-Y356 WeakPolarHBondContact O-CD2 3.46Å; H327-Y356 AromaticContact CE1-CD2 3.55Å; H327-Y356 AromaticContact CE1-CE2 3.47Å; H327-Y356 VanDerWaalsContact CE1-CE2 3.47Å; H327-Y356 WeakPolarHBondContact CE1-CE2 3.46Å; H327-Y356 AromaticContact ND1-CD2 3.44Å; H327-Y356 WeakPolarHBondContact ND1-CD2 3.35Å; H327-Y356 AromaticContact ND1-CE2 3.85Å; Y354-Y356 WeakPolarHBondContact OH-CB 3.16Å; Y356-P358 HydrophobicContact CD1-CB 4.47Å; Y356-P358 HydrophobicContact CD1-CG 4.21Å; Y356-P358 HydrophobicContact CE1-CB 3.69Å; Y356-P358 HydrophobicContact CE1-CG 3.82Å; Y356-P358 WeakPolarHBondContact O-CD 3.26Å; Y356-Y374 HydrophobicContact CD1-CG 4.48Å; Y356-Y374 PolarHBondContact N-O 2.85Å; Y356-Y374 PolarHBondContact O-N 3.48Å
357	V	98	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.			trans	-123	76.7	-174.2	-168.2	0	0	0	0	109.7	V324 L326 V355 A359 V360 T371 I373 F413	V324-V357 HydrophobicContact CG2-CB 4.15Å; V324-V357 HydrophobicContact CG2-CG1 4Å; V324-V357 HydrophobicContact CG2-CG2 4.01Å; L326-V357 VanDerWaalsContact CD1-O 3.31Å; L326-V357 WeakPolarHBondContact CD1-O 3.01Å; L326-V357 PolarHBondContact O-N 3.2Å; V355-V357 HydrophobicContact CG1-CG2 4.29Å; V357-A359 PolarHBondContact O-N 2.86Å; V357-A359 VanDerWaalsContact O-N 3.11Å; V357-V360 HydrophobicContact CB-CG2 4.04Å; V357-V360 HydrophobicContact CG1-CG2 3.91Å; V357-V360 WeakPolarHBondContact O-CB 3.36Å; V357-V360 WeakPolarHBondContact O-CG2 3.29Å; V357-V360 PolarHBondContact O-N 3.22Å; V357-V360 VanDerWaalsContact O-N 3.09Å; V357-T371 HydrophobicContact CG1-CG2 3.35Å; V357-I373 HydrophobicContact CG2-CG1 4.47Å; V357-F413 HydrophobicContact CG2-CZ 4.46Å
358	P	96.9	Very high	96.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.019	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.8	-169.2	15.7	-28.3	0	0	0	114.7	Y356 V360 A361 D362 L365	Y356-P358 HydrophobicContact CD1-CB 4.47Å; Y356-P358 HydrophobicContact CD1-CG 4.21Å; Y356-P358 HydrophobicContact CE1-CB 3.69Å; Y356-P358 HydrophobicContact CE1-CG 3.82Å; Y356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-V360 PolarHBondContact O-N 3.24Å; P358-V360 VanDerWaalsContact O-N 3.12Å; P358-A361 PolarHBondContact O-N 2.84Å; P358-D362 PolarHBondContact O-N 3.19Å; P358-L365 HydrophobicContact CB-CB 4.28Å; P358-L365 HydrophobicContact CB-CD1 3.56Å
359	A	97.1	Very high	96.4	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-61	-21.3	-179.9	0	0	0	0	0	113.5	T321 V357 A361 D362 A366 T371	T321-A359 HydrophobicContact CG2-CB 3.69Å; V357-A359 PolarHBondContact O-N 2.86Å; V357-A359 VanDerWaalsContact O-N 3.11Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 3.31Å; A359-D362 WeakPolarHBondContact CA-O 3.25Å; A359-A366 HydrophobicContact CB-CB 4.2Å; A359-T371 HydrophobicContact CB-CG2 4.46Å
360	V	97.3	Very high	96.7	Very high	52 Å²	52	36.3 Å²	36.3	32%	0.315	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.7	-38.2	172.7	175.1	0	0	0	0	111.2	T321 V324 L326 V357 P358	T321-V360 HydrophobicContact CG2-CG2 4.25Å; V324-V360 HydrophobicContact CG2-CG2 4.1Å; L326-V360 HydrophobicContact CB-CB 4.36Å; L326-V360 HydrophobicContact CB-CG1 4.33Å; L326-V360 HydrophobicContact CD1-CB 4.47Å; V357-V360 HydrophobicContact CB-CG2 4.04Å; V357-V360 HydrophobicContact CG1-CG2 3.91Å; V357-V360 WeakPolarHBondContact O-CB 3.36Å; V357-V360 WeakPolarHBondContact O-CG2 3.29Å; V357-V360 PolarHBondContact O-N 3.22Å; V357-V360 VanDerWaalsContact O-N 3.09Å; P358-V360 PolarHBondContact O-N 3.24Å; P358-V360 VanDerWaalsContact O-N 3.12Å
361	A	96.5	Very high	96.8	Very high	33 Å²	33	34.3 Å²	34.3	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-29.6	-179.9	0	0	0	0	0	113.1	F216 L326 P358 A359	F216-A361 HydrophobicContact CB-CB 4.27Å; F216-A361 HydrophobicContact CD1-CB 3.68Å; F216-A361 HydrophobicContact CD2-CB 3.61Å; F216-A361 HydrophobicContact CE1-CB 3.81Å; F216-A361 HydrophobicContact CE2-CB 3.71Å; F216-A361 HydrophobicContact CG-CB 3.58Å; F216-A361 HydrophobicContact CZ-CB 3.82Å; L326-A361 HydrophobicContact CD1-CB 3.92Å; L326-A361 HydrophobicContact CD2-CB 4.11Å; P358-A361 PolarHBondContact O-N 2.84Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 3.31Å
362	D	96.8	Very high	97	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.107	19%	0.194	C	C	.	.			trans	-145.2	97.8	-179.5	-173	-8.8	0	0	0	111.7	F216 G219 P358 A359 S364 L365	F216-D362 HydrophobicContact CE1-CB 3.61Å; F216-D362 HydrophobicContact CZ-CB 3.61Å; G219-D362 PolarHBondContact N-OD2 3.31Å; P358-D362 PolarHBondContact O-N 3.19Å; A359-D362 WeakPolarHBondContact CA-O 3.25Å; D362-S364 VanDerWaalsContact CG-OG 3.24Å; D362-S364 PolarHBondContact O-N 3.49Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.44Å; D362-S364 PolarHBondContact OD1-N 3.14Å; D362-S364 PolarHBondContact OD1-OG 3.06Å; D362-S364 PolarHBondContact OD2-OG 2.99Å; D362-L365 HydrophobicContact CB-CD1 3.96Å; D362-L365 HydrophobicContact CB-CG 4.23Å; D362-L365 WeakPolarHBondContact O-CB 3.29Å; D362-L365 PolarHBondContact O-N 3.31Å; D362-L365 VanDerWaalsContact O-N 3.08Å
363	K	96.3	Very high	97.2	Very high	136 Å²	136	34.3 Å²	34.3	59%	0.591	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-57.9	-16.9	179.7	-63	-161	176.3	-145.4	0	113.8	D319 L365 A366	D319-K363 IonicContact OD2-NZ 3.8Å; K363-L365 PolarHBondContact O-N 3Å; K363-A366 VanDerWaalsContact O-O 3.1Å
364	S	96.1	Very high	97.3	Very high	87 Å²	87	34.6 Å²	34.6	61%	0.608	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-72.2	-10.3	177.3	73.6	0	0	0	0	114.1	D362 A366	D362-S364 VanDerWaalsContact CG-OG 3.24Å; D362-S364 PolarHBondContact O-N 3.49Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.44Å; D362-S364 PolarHBondContact OD1-N 3.14Å; D362-S364 PolarHBondContact OD1-OG 3.06Å; D362-S364 PolarHBondContact OD2-OG 2.99Å; S364-A366 VanDerWaalsContact C-N 3.31Å
365	L	97.3	Very high	97.4	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-84.1	-3.2	180	-64	173.7	0	0	0	113.7	T48 F216 P358 D362 K363	T48-L365 HydrophobicContact CG2-CD2 3.74Å; T48-L365 PolarHBondContact N-O 3.09Å; F216-L365 HydrophobicContact CZ-CD1 4.01Å; P358-L365 HydrophobicContact CB-CB 4.28Å; P358-L365 HydrophobicContact CB-CD1 3.56Å; D362-L365 HydrophobicContact CB-CD1 3.96Å; D362-L365 HydrophobicContact CB-CG 4.23Å; D362-L365 WeakPolarHBondContact O-CB 3.29Å; D362-L365 PolarHBondContact O-N 3.31Å; D362-L365 VanDerWaalsContact O-N 3.08Å; K363-L365 PolarHBondContact O-N 3Å
366	A	97.9	Very high	97.4	Very high	11 Å²	11	35 Å²	35	9%	0.091	20%	0.198	C	C	.	.	S	Bend	trans	-138.3	158	172.2	0	0	0	0	0	111	F47 A359 K363 S364 K370	F47-A366 HydrophobicContact CD1-CB 4Å; F47-A366 HydrophobicContact CE1-CB 4.31Å; A359-A366 HydrophobicContact CB-CB 4.2Å; K363-A366 VanDerWaalsContact O-O 3.1Å; S364-A366 VanDerWaalsContact C-N 3.31Å; A366-K370 WeakPolarHBondContact CB-O 3.32Å
367	P	97.8	Very high	97.3	Very high	39 Å²	39	35.1 Å²	35.1	25%	0.253	20%	0.198	S	C	.	.			trans	-59.4	155.6	168.8	-21.6	34	0	0	0	111.9	F47 G369 K370	F47-P367 HydrophobicContact CE1-CG 4.45Å; F47-P367 HydrophobicContact CZ-CG 4.44Å; P367-G369 PolarHBondContact O-N 2.96Å; P367-K370 HydrophobicContact CB-CB 4.25Å; P367-K370 HydrophobicContact CB-CD 4.14Å; P367-K370 HydrophobicContact CB-CG 4.29Å; P367-K370 HydrophobicContact CG-CD 4.33Å; P367-K370 WeakPolarHBondContact O-CB 3.22Å; P367-K370 PolarHBondContact O-N 2.85Å; P367-K370 VanDerWaalsContact O-N 3.1Å
368	E	97	Very high	97.1	Very high	196 Å²	196	35.9 Å²	35.9	92%	0.916	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	133.4	176.2	-173.5	176.7	-174	0	0	111.6	K370	E368-K370 PolarHBondContact O-N 3.36Å
369	G	97.5	Very high	97	Very high	41 Å²	41	35.7 Å²	35.7	42%	0.423	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	7.6	-179.3	0	0	0	0	0	115	I318 D319 P367	I318-G369 CarbonylContact C-O 3.22Å; I318-G369 WeakPolarHBondContact CA-O 3.39Å; D319-G369 PolarHBondContact N-O 3.31Å; P367-G369 PolarHBondContact O-N 2.96Å
370	K	98.3	Very high	96.9	Very high	73 Å²	73	35.7 Å²	35.7	32%	0.317	20%	0.202	S	C	.	.			trans	-125.4	160.9	-177.2	-60.3	-160.6	-178.8	-171.2	0	111.4	F47 I316 I318 A366 P367 E368	F47-K370 HydrophobicContact CE1-CB 3.83Å; F47-K370 HydrophobicContact CZ-CB 3.96Å; F47-K370 HydrophobicContact CZ-CD 3.86Å; I316-K370 VanDerWaalsContact O-CB 3.28Å; I316-K370 WeakPolarHBondContact O-CB 3.34Å; I318-K370 CarbonylContact O-C 3.2Å; A366-K370 WeakPolarHBondContact CB-O 3.32Å; P367-K370 HydrophobicContact CB-CB 4.25Å; P367-K370 HydrophobicContact CB-CD 4.14Å; P367-K370 HydrophobicContact CB-CG 4.29Å; P367-K370 HydrophobicContact CG-CD 4.33Å; P367-K370 WeakPolarHBondContact O-CB 3.22Å; P367-K370 PolarHBondContact O-N 2.85Å; P367-K370 VanDerWaalsContact O-N 3.1Å; E368-K370 PolarHBondContact O-N 3.36Å
371	T	98.4	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.4	178.6	-49.7	0	0	0	0	111.6	F47 I316 I318 D319 V320 V357 A359 I373	F47-T371 VanDerWaalsContact CE1-O 3.31Å; F47-T371 WeakPolarHBondContact CE1-O 3.14Å; I316-T371 VanDerWaalsContact CG1-O 3.3Å; I316-T371 WeakPolarHBondContact CG1-O 3.45Å; I316-T371 PolarHBondContact N-O 3.04Å; I316-T371 PolarHBondContact O-N 3.33Å; I316-T371 VanDerWaalsContact O-N 3.17Å; I318-T371 WeakPolarHBondContact O-CB 3.29Å; I318-T371 PolarHBondContact O-N 2.97Å; I318-T371 VanDerWaalsContact O-N 3.12Å; I318-T371 PolarHBondContact O-OG1 2.76Å; D319-T371 WeakPolarHBondContact CA-OG1 3.05Å; V320-T371 HydrophobicContact CG2-CG2 3.71Å; V320-T371 PolarHBondContact N-OG1 3.31Å; V357-T371 HydrophobicContact CG1-CG2 3.35Å; A359-T371 HydrophobicContact CB-CG2 4.46Å; T371-I373 HydrophobicContact CG2-CG1 4.36Å
372	G	98.2	Very high	96.8	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.5	166.7	0	0	0	0	0	110.7	I314	I314-G372 CarbonylContact O-C 3.6Å
373	I	98.3	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.2	-179.7	-56.5	165	0	0	0	108.9	I314 I316 V355 V357 T371 V375 F413 I416	I314-I373 HydrophobicContact CB-CB 4.38Å; I314-I373 PolarHBondContact N-O 3.35Å; I314-I373 PolarHBondContact O-N 2.95Å; I316-I373 HydrophobicContact CD1-CD1 3.76Å; I316-I373 HydrophobicContact CG1-CD1 4.19Å; I316-I373 HydrophobicContact CG2-CD1 4.34Å; V355-I373 HydrophobicContact CG1-CG2 3.57Å; V357-I373 HydrophobicContact CG2-CG1 4.47Å; T371-I373 HydrophobicContact CG2-CG1 4.36Å; I373-V375 HydrophobicContact CG2-CG2 3.98Å; I373-F413 HydrophobicContact CD1-CD1 4.13Å; I373-F413 HydrophobicContact CD1-CE1 3.41Å; I373-F413 VanDerWaalsContact CD1-CE1 3.41Å; I373-F413 HydrophobicContact CD1-CE2 4.44Å; I373-F413 HydrophobicContact CD1-CZ 3.61Å; I373-F413 HydrophobicContact CG1-CE1 4.41Å; I373-F413 HydrophobicContact CG1-CZ 4.22Å; I373-I416 HydrophobicContact CD1-CD1 3.8Å
374	Y	97.9	Very high	96.7	Very high	6 Å²	6	32.6 Å²	32.6	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.7	169.2	165.6	-81.9	0	0	0	108.8	T54 L311 M312 Y313 Y354 V355 Y356 L376	T54-Y374 HydrophobicContact CG2-CD1 4.44Å; T54-Y374 HydrophobicContact CG2-CE1 4.31Å; L311-Y374 HydrophobicContact CB-CE2 4.46Å; L311-Y374 HydrophobicContact CD1-CE2 3.93Å; L311-Y374 HydrophobicContact CD2-CE1 4.48Å; L311-Y374 HydrophobicContact CD2-CE2 4.05Å; L311-Y374 WeakPolarHBondContact CD2-OH 3.27Å; L311-Y374 HydrophobicContact CG-CE2 4.38Å; M312-Y374 CarbonylContact O-C 3.53Å; M312-Y374 WeakPolarHBondContact O-CA 3.29Å; Y313-Y374 AromaticContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CE2 4.45Å; Y313-Y374 AromaticContact CE1-CD2 3.36Å; Y313-Y374 HydrophobicContact CE1-CD2 3.36Å; Y313-Y374 AromaticContact CE1-CE2 3.69Å; Y313-Y374 HydrophobicContact CE1-CE2 3.69Å; Y354-Y374 HydrophobicContact CD1-CD1 4.26Å; Y354-Y374 AromaticContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CE1-CD1 4.08Å; Y354-Y374 AromaticContact CE1-CE1 3.86Å; Y354-Y374 HydrophobicContact CE1-CE1 3.86Å; V355-Y374 CarbonylContact C-O 3.56Å; V355-Y374 WeakPolarHBondContact CA-O 3.3Å; Y356-Y374 HydrophobicContact CD1-CG 4.48Å; Y356-Y374 PolarHBondContact N-O 2.85Å; Y356-Y374 PolarHBondContact O-N 3.48Å; Y374-L376 HydrophobicContact CE1-CB 3.67Å; Y374-L376 HydrophobicContact CE1-CD1 4.46Å; Y374-L376 WeakPolarHBondContact OH-CD1 3.15Å
375	V	97.9	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129	175	-171.9	0	0	0	0	109.2	L311 M312 I314 I353 Y354 V355 I373 I403 L407	L311-V375 CarbonylContact C-O 3.58Å; L311-V375 VanDerWaalsContact CA-O 3.26Å; L311-V375 WeakPolarHBondContact CA-O 3.44Å; M312-V375 HydrophobicContact CB-CB 4.3Å; M312-V375 PolarHBondContact N-O 3.49Å; M312-V375 PolarHBondContact O-N 2.92Å; I314-V375 HydrophobicContact CD1-CG2 4.24Å; I353-V375 HydrophobicContact CB-CG1 4.22Å; I353-V375 HydrophobicContact CD1-CG1 3.95Å; Y354-V375 CarbonylContact O-C 3.57Å; Y354-V375 WeakPolarHBondContact O-CA 3.3Å; V355-V375 HydrophobicContact CG2-CG1 4.47Å; V355-V375 HydrophobicContact CG2-CG2 4.5Å; I373-V375 HydrophobicContact CG2-CG2 3.98Å; V375-I403 HydrophobicContact CB-CG2 4.39Å; V375-I403 HydrophobicContact CG1-CG2 3.85Å; V375-I403 HydrophobicContact CG2-CG2 4.43Å; V375-L407 HydrophobicContact CG2-CD1 4.13Å; V375-L407 HydrophobicContact CG2-CD2 4.04Å
376	L	96.4	Very high	96.4	Very high	24 Å²	24	33.1 Å²	33.1	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.7	171.8	-179.4	159.2	0	0	0	109.2	A309 L311 I353 Y354 Y374 P378 F443	A309-L376 HydrophobicContact CB-CD1 4.19Å; A309-L376 HydrophobicContact CB-CD2 4.41Å; A309-L376 HydrophobicContact CB-CG 3.94Å; L311-L376 HydrophobicContact CD2-CB 3.67Å; L311-L376 HydrophobicContact CD2-CD1 3.89Å; L311-L376 HydrophobicContact CD2-CG 3.62Å; I353-L376 WeakPolarHBondContact CA-O 3.38Å; Y354-L376 HydrophobicContact CD1-CB 4.11Å; Y354-L376 PolarHBondContact N-O 3.02Å; Y354-L376 PolarHBondContact O-N 3.31Å; Y374-L376 HydrophobicContact CE1-CB 3.67Å; Y374-L376 HydrophobicContact CE1-CD1 4.46Å; Y374-L376 WeakPolarHBondContact OH-CD1 3.15Å; L376-P378 HydrophobicContact CD2-CG 3.8Å; L376-F443 HydrophobicContact CD1-CZ 4.49Å
377	M	95.4	Very high	96.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.6	166.9	-176	-177.1	84.6	0	0	108.5	A309 F310 L347 P351 I353 T379 I399 I403	A309-M377 WeakPolarHBondContact CA-O 3.21Å; F310-M377 HydrophobicContact CB-CB 4.43Å; F310-M377 HydrophobicContact CB-CE 4.04Å; F310-M377 PolarHBondContact N-O 3Å; F310-M377 PolarHBondContact O-N 3.39Å; L347-M377 HydrophobicContact CD2-CE 4.41Å; P351-M377 HydrophobicContact CB-CG 3.74Å; P351-M377 HydrophobicContact CB-SD 3.92Å; P351-M377 HydrophobicContact CG-CG 3.99Å; P351-M377 HydrophobicContact CG-SD 3.62Å; I353-M377 HydrophobicContact CG2-CB 4.05Å; I353-M377 HydrophobicContact CG2-CG 4.12Å; M377-T379 HydrophobicContact CE-CG2 3.53Å; M377-I399 HydrophobicContact CE-CD1 4.48Å; M377-I399 HydrophobicContact CE-CG1 4.46Å; M377-I399 HydrophobicContact CE-CG2 3.57Å; M377-I399 HydrophobicContact SD-CG2 4.04Å; M377-I403 HydrophobicContact CB-CD1 4.31Å; M377-I403 HydrophobicContact SD-CD1 4.4Å; M377-I403 HydrophobicContact SD-CG1 4.35Å
378	P	94.4	Very high	96.1	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139.6	174.7	-21.5	34.3	0	0	0	111.1	I342 S352 L376	I342-P378 HydrophobicContact CD1-CB 3.79Å; S352-P378 WeakPolarHBondContact O-CD 3.39Å; L376-P378 HydrophobicContact CD2-CG 3.8Å
379	T	94.9	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.1	-175.7	55.7	0	0	0	0	110.9	C307 S308 A309 F310 L347 M377 W390	C307-T379 WeakPolarHBondContact CB-O 3.3Å; S308-T379 CarbonylContact C-O 3.57Å; S308-T379 VanDerWaalsContact C-OG1 3.3Å; S308-T379 PolarHBondContact N-O 2.97Å; S308-T379 PolarHBondContact O-N 3Å; S308-T379 VanDerWaalsContact O-O 3.11Å; S308-T379 PolarHBondContact O-OG1 3.48Å; A309-T379 WeakPolarHBondContact CA-OG1 3.46Å; A309-T379 PolarHBondContact N-OG1 3.18Å; F310-T379 HydrophobicContact CB-CG2 3.91Å; L347-T379 HydrophobicContact CD2-CG2 3.81Å; M377-T379 HydrophobicContact CE-CG2 3.53Å; T379-W390 HydrophobicContact CG2-CH2 3.68Å; T379-W390 HydrophobicContact CG2-CZ2 4.25Å
380	P	94.8	Very high	96	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.013	18%	0.179	C	C	.	.			trans	-58.1	143.9	171	-17.6	27.5	0	0	0	111.4	I342 R346 I388	I342-P380 WeakPolarHBondContact O-CB 3.34Å; I342-P380 VanDerWaalsContact O-CG 3.31Å; I342-P380 WeakPolarHBondContact O-CG 3.41Å; R346-P380 WeakPolarHBondContact O-CG 3.33Å; P380-I388 HydrophobicContact CB-CD1 4.45Å; P380-I388 HydrophobicContact CG-CD1 3.93Å
381	E	95.2	Very high	95.8	Very high	6 Å²	6	30 Å²	30	3%	0.028	19%	0.193	C	C	.	.			trans	-72.6	161.5	166.6	59.3	72.7	-144.4	0	0	111.2	S306 K383 T384 G385 F439	S306-E381 WeakPolarHBondContact O-CG 3.11Å; E381-K383 VanDerWaalsContact C-N 3.25Å; E381-K383 PolarHBondContact O-N 3.25Å; E381-K383 VanDerWaalsContact O-N 3.13Å; E381-K383 WeakPolarHBondContact OE1-CB 3.38Å; E381-K383 WeakPolarHBondContact OE2-CB 3.16Å; E381-K383 PolarHBondContact OE2-N 2.99Å; E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 WeakPolarHBondContact OE1-CB 3.42Å; E381-T384 PolarHBondContact OE1-N 3.04Å; E381-T384 PolarHBondContact OE1-OG1 2.84Å; E381-G385 PolarHBondContact O-N 3Å; E381-F439 WeakPolarHBondContact CB-O 3.23Å; E381-F439 WeakPolarHBondContact OE2-CB 3.28Å
382	L	96.4	Very high	95.7	Very high	29 Å²	29	33.6 Å²	33.6	15%	0.152	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.1	-166.1	-64.9	174.2	0	0	0	114.2	S386 P428 N429 E432 F439	L382-S386 WeakPolarHBondContact O-CA 3.46Å; L382-S386 PolarHBondContact O-N 3.38Å; L382-P428 HydrophobicContact CD2-CB 3.74Å; L382-P428 HydrophobicContact CG-CB 4Å; L382-N429 WeakPolarHBondContact CD2-OD1 3.24Å; L382-E432 HydrophobicContact CD1-CB 4.18Å; L382-F439 HydrophobicContact CB-CB 4.2Å; L382-F439 WeakPolarHBondContact CB-O 3.13Å; L382-F439 WeakPolarHBondContact CG-O 3.1Å; L382-F439 PolarHBondContact N-O 3.39Å
383	K	95.2	Very high	95.6	Very high	76 Å²	76	41.5 Å²	41.5	33%	0.33	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-52.5	176.4	175.4	180	61.2	168.6	0	110.9	A301 L303 E381 F439	A301-K383 PolarHBondContact O-NZ 2.9Å; L303-K383 PolarHBondContact O-NZ 3.21Å; E381-K383 VanDerWaalsContact C-N 3.25Å; E381-K383 PolarHBondContact O-N 3.25Å; E381-K383 VanDerWaalsContact O-N 3.13Å; E381-K383 WeakPolarHBondContact OE1-CB 3.38Å; E381-K383 WeakPolarHBondContact OE2-CB 3.16Å; E381-K383 PolarHBondContact OE2-N 2.99Å; K383-F439 HydrophobicContact CB-CB 4.31Å; K383-F439 HydrophobicContact CB-CD1 3.97Å; K383-F439 HydrophobicContact CB-CD2 3.92Å; K383-F439 HydrophobicContact CB-CE1 4.2Å; K383-F439 HydrophobicContact CB-CE2 4.17Å; K383-F439 HydrophobicContact CB-CG 3.83Å; K383-F439 HydrophobicContact CB-CZ 4.3Å; K383-F439 HydrophobicContact CD-CD2 4.28Å; K383-F439 HydrophobicContact CD-CE2 3.8Å; K383-F439 HydrophobicContact CD-CZ 4.04Å
384	T	94.4	Very high	95.6	Very high	65 Å²	65	44.6 Å²	44.6	40%	0.399	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-38.9	179.9	-56.8	0	0	0	0	111.1	E381 S386	E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 WeakPolarHBondContact OE1-CB 3.42Å; E381-T384 PolarHBondContact OE1-N 3.04Å; E381-T384 PolarHBondContact OE1-OG1 2.84Å; T384-S386 VanDerWaalsContact C-N 3.32Å; T384-S386 PolarHBondContact O-N 2.64Å
385	G	95.2	Very high	95.5	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.021	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	28.2	177.3	0	0	0	0	0	114.7	E381 G387 I388	E381-G385 PolarHBondContact O-N 3Å; G385-G387 PolarHBondContact O-N 3.1Å; G385-I388 WeakPolarHBondContact O-CB 3.42Å; G385-I388 PolarHBondContact O-N 3.09Å
386	S	93.5	Very high	95.5	Very high	103 Å²	103	46.8 Å²	46.8	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.1	-173.2	56.2	0	0	0	0	115.8	L382 T384	L382-S386 WeakPolarHBondContact O-CA 3.46Å; L382-S386 PolarHBondContact O-N 3.38Å; T384-S386 VanDerWaalsContact C-N 3.32Å; T384-S386 PolarHBondContact O-N 2.64Å
387	G	93	Very high	95.5	Very high	79 Å²	79	49.6 Å²	49.6	81%	0.814	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.1	172.7	0	0	0	0	0	115	G385	G385-G387 PolarHBondContact O-N 3.1Å
388	I	96	Very high	95.6	Very high	28 Å²	28	53.5 Å²	53.5	14%	0.144	32%	0.318	C	S	.	.			trans	-97.8	113.8	-178	-56.6	168.8	0	0	0	108.8	L347 P380 G385 W390 L395	L347-I388 HydrophobicContact CD1-CD1 4.35Å; L347-I388 HydrophobicContact CD1-CG2 4.02Å; L347-I388 HydrophobicContact CD2-CD1 4.1Å; L347-I388 HydrophobicContact CG-CD1 3.84Å; P380-I388 HydrophobicContact CB-CD1 4.45Å; P380-I388 HydrophobicContact CG-CD1 3.93Å; G385-I388 WeakPolarHBondContact O-CB 3.42Å; G385-I388 PolarHBondContact O-N 3.09Å; I388-W390 HydrophobicContact CG2-CD2 4.03Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 4.38Å; I388-W390 HydrophobicContact CG2-CZ2 3.84Å; I388-W390 PolarHBondContact O-N 2.73Å; I388-L395 HydrophobicContact CG2-CD2 3.62Å
389	D	96.2	Very high	95.8	Very high	90 Å²	90	52.9 Å²	52.9	48%	0.481	31%	0.313	S	S	.	.			trans	-88.7	96.2	174.5	-172.7	-2.8	0	0	0	110.9	S391 D392 L395	D389-S391 PolarHBondContact O-N 3.36Å; D389-S391 VanDerWaalsContact O-N 3.14Å; D389-S391 WeakPolarHBondContact OD1-CA 3.48Å; D389-S391 WeakPolarHBondContact OD1-CB 3.33Å; D389-S391 PolarHBondContact OD1-N 2.9Å; D389-S391 PolarHBondContact OD1-OG 3.2Å; D389-S391 PolarHBondContact OD2-OG 3.15Å; D389-D392 HydrophobicContact CB-CB 4.41Å; D389-D392 WeakPolarHBondContact O-CB 3.45Å; D389-D392 PolarHBondContact O-N 3.12Å; D389-D392 VanDerWaalsContact O-N 3.1Å; D389-L395 WeakPolarHBondContact O-CD2 3.47Å
390	W	96	Very high	95.9	Very high	11 Å²	11	54 Å²	54	4%	0.042	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.5	177	-64.1	104.2	0	0	0	114.3	F310 L347 T379 I388 I399 T427 P428	F310-W390 HydrophobicContact CB-CZ3 4.37Å; F310-W390 HydrophobicContact CD2-CE3 4.09Å; F310-W390 HydrophobicContact CD2-CH2 4.44Å; F310-W390 AromaticContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CE2-CZ3 4.21Å; F310-W390 HydrophobicContact CG-CZ3 4.37Å; L347-W390 HydrophobicContact CD1-CH2 4.33Å; L347-W390 HydrophobicContact CD2-CH2 3.76Å; L347-W390 HydrophobicContact CD2-CZ2 4.16Å; T379-W390 HydrophobicContact CG2-CH2 3.68Å; T379-W390 HydrophobicContact CG2-CZ2 4.25Å; I388-W390 HydrophobicContact CG2-CD2 4.03Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 4.38Å; I388-W390 HydrophobicContact CG2-CZ2 3.84Å; I388-W390 PolarHBondContact O-N 2.73Å; W390-I399 HydrophobicContact CE3-CD1 4.49Å; W390-I399 HydrophobicContact CH2-CD1 4.21Å; W390-I399 HydrophobicContact CZ3-CD1 3.6Å; W390-T427 HydrophobicContact CE3-CG2 4.19Å; W390-P428 HydrophobicContact CD2-CG 4.09Å; W390-P428 VanDerWaalsContact CE2-CG 3.48Å; W390-P428 HydrophobicContact CH2-CG 4.3Å; W390-P428 HydrophobicContact CZ2-CG 3.6Å
391	S	94.4	Very high	96	Very high	88 Å²	88	57.3 Å²	57.3	62%	0.615	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.5	171.8	74.4	0	0	0	0	113.6	D389 E393	D389-S391 PolarHBondContact O-N 3.36Å; D389-S391 VanDerWaalsContact O-N 3.14Å; D389-S391 WeakPolarHBondContact OD1-CA 3.48Å; D389-S391 WeakPolarHBondContact OD1-CB 3.33Å; D389-S391 PolarHBondContact OD1-N 2.9Å; D389-S391 PolarHBondContact OD1-OG 3.2Å; D389-S391 PolarHBondContact OD2-OG 3.15Å; S391-E393 PolarHBondContact O-N 3.48Å
392	D	96.7	Very high	96.1	Very high	74 Å²	74	57.4 Å²	57.4	40%	0.396	33%	0.334	S	S	.	.			trans	-75.3	114.1	176.8	-177.5	4.8	0	0	0	111.3	D389 A394 L395 T396	D389-D392 HydrophobicContact CB-CB 4.41Å; D389-D392 WeakPolarHBondContact O-CB 3.45Å; D389-D392 PolarHBondContact O-N 3.12Å; D389-D392 VanDerWaalsContact O-N 3.1Å; D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.2Å; D392-A394 PolarHBondContact OD1-N 3.12Å; D392-L395 HydrophobicContact CB-CB 3.96Å; D392-L395 PolarHBondContact O-N 3.48Å; D392-T396 PolarHBondContact O-N 3.34Å; D392-T396 PolarHBondContact O-OG1 2.84Å
393	E	96.1	Very high	96.2	Very high	168 Å²	168	56 Å²	56	79%	0.785	33%	0.327	S	S	*	.	H	α-helix	trans	-62.5	-33.6	176.1	-66.9	-176.7	177.4	0	0	112.6	S391 T396 Q397	S391-E393 PolarHBondContact O-N 3.48Å; E393-T396 PolarHBondContact O-N 2.86Å; E393-Q397 PolarHBondContact O-N 2.91Å
394	A	97.2	Very high	96.3	Very high	66 Å²	66	53.2 Å²	53.2	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-42.7	179.2	0	0	0	0	0	111.1	D392 T396 Q397 Q398	D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.2Å; D392-A394 PolarHBondContact OD1-N 3.12Å; A394-T396 VanDerWaalsContact C-N 3.34Å; A394-Q397 PolarHBondContact O-N 2.82Å; A394-Q398 PolarHBondContact O-N 2.83Å
395	L	96.7	Very high	96.4	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-46	172.2	177.8	64.5	0	0	0	110.9	L347 I388 D389 D392 Q397 Q398 I399	L347-L395 HydrophobicContact CD1-CD1 3.86Å; L347-L395 HydrophobicContact CD1-CD2 4.32Å; L347-L395 HydrophobicContact CD1-CG 4.49Å; I388-L395 HydrophobicContact CG2-CD2 3.62Å; D389-L395 WeakPolarHBondContact O-CD2 3.47Å; D392-L395 HydrophobicContact CB-CB 3.96Å; D392-L395 PolarHBondContact O-N 3.48Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.83Å; L395-Q398 WeakPolarHBondContact O-CB 3.46Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.14Å; L395-I399 HydrophobicContact CD1-CD1 4.24Å; L395-I399 HydrophobicContact CD1-CG1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.03Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 2.83Å
396	T	97.1	Very high	96.5	Very high	25 Å²	25	57.3 Å²	57.3	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-45.7	178.7	-63	0	0	0	0	111.1	F310 D392 E393 A394 Q398 I399 K400 I425	F310-T396 HydrophobicContact CE2-CG2 4.49Å; F310-T396 HydrophobicContact CZ-CG2 4.29Å; D392-T396 PolarHBondContact O-N 3.34Å; D392-T396 PolarHBondContact O-OG1 2.84Å; E393-T396 PolarHBondContact O-N 2.86Å; A394-T396 VanDerWaalsContact C-N 3.34Å; T396-Q398 PolarHBondContact O-N 2.86Å; T396-I399 PolarHBondContact O-N 3Å; T396-K400 HydrophobicContact CG2-CD 4.49Å; T396-K400 WeakPolarHBondContact O-CG 3.38Å; T396-K400 PolarHBondContact O-N 3.29Å; T396-I425 HydrophobicContact CG2-CD1 3.32Å
397	Q	97.3	Very high	96.7	Very high	82 Å²	82	52.4 Å²	52.4	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-37	176.5	-170.5	59	36.3	0	0	112.5	E393 A394 L395 K400 E401	E393-Q397 PolarHBondContact O-N 2.91Å; A394-Q397 PolarHBondContact O-N 2.82Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.83Å; Q397-K400 PolarHBondContact O-N 2.73Å; Q397-E401 PolarHBondContact NE2-OE1 2.92Å; Q397-E401 PolarHBondContact O-N 2.75Å; Q397-E401 VanDerWaalsContact O-N 3.09Å
398	Q	97.3	Very high	96.9	Very high	86 Å²	86	50 Å²	50	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-46	173.9	-180	-175.8	-34.3	0	0	111.7	Y349 A394 L395 T396 K400 E401 I402	Y349-Q398 VanDerWaalsContact CE1-NE2 3.32Å; A394-Q398 PolarHBondContact O-N 2.83Å; L395-Q398 WeakPolarHBondContact O-CB 3.46Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.14Å; T396-Q398 PolarHBondContact O-N 2.86Å; Q398-K400 VanDerWaalsContact C-N 3.33Å; Q398-K400 PolarHBondContact O-N 3.18Å; Q398-E401 PolarHBondContact O-N 2.96Å; Q398-I402 HydrophobicContact CG-CD1 4.35Å; Q398-I402 WeakPolarHBondContact O-CG1 3.24Å; Q398-I402 PolarHBondContact O-N 3.01Å; Q398-I402 VanDerWaalsContact O-N 3.15Å
399	I	97.6	Very high	96.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-41.6	178.4	-66.2	169.9	0	0	0	110.7	F310 L347 M377 W390 L395 T396 E401 I402 I403	F310-I399 HydrophobicContact CD1-CG2 3.65Å; F310-I399 HydrophobicContact CD2-CD1 4.27Å; F310-I399 HydrophobicContact CD2-CG2 4.27Å; F310-I399 HydrophobicContact CE1-CB 4.47Å; F310-I399 HydrophobicContact CE1-CG2 3.56Å; F310-I399 HydrophobicContact CE2-CD1 4.23Å; F310-I399 HydrophobicContact CE2-CG2 4.18Å; F310-I399 HydrophobicContact CG-CG2 3.99Å; F310-I399 HydrophobicContact CZ-CB 4.28Å; F310-I399 HydrophobicContact CZ-CG2 3.82Å; L347-I399 HydrophobicContact CD1-CD1 3.85Å; L347-I399 HydrophobicContact CD1-CG1 4.37Å; M377-I399 HydrophobicContact CE-CD1 4.48Å; M377-I399 HydrophobicContact CE-CG1 4.46Å; M377-I399 HydrophobicContact CE-CG2 3.57Å; M377-I399 HydrophobicContact SD-CG2 4.04Å; W390-I399 HydrophobicContact CE3-CD1 4.49Å; W390-I399 HydrophobicContact CH2-CD1 4.21Å; W390-I399 HydrophobicContact CZ3-CD1 3.6Å; L395-I399 HydrophobicContact CD1-CD1 4.24Å; L395-I399 HydrophobicContact CD1-CG1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.03Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 2.83Å; T396-I399 PolarHBondContact O-N 3Å; I399-E401 PolarHBondContact O-N 3.49Å; I399-I402 WeakPolarHBondContact O-CB 3.32Å; I399-I402 PolarHBondContact O-N 3.22Å; I399-I403 HydrophobicContact CG2-CD1 3.92Å; I399-I403 PolarHBondContact O-N 3.28Å
400	K	97.6	Very high	97	Very high	25 Å²	25	45.4 Å²	45.4	11%	0.109	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-46.9	175.6	-71.6	172.6	57	176.8	0	112.5	M312 T396 Q397 Q398 I402 I403 Y404 E423 I425	M312-K400 HydrophobicContact CE-CB 4.37Å; M312-K400 HydrophobicContact CE-CD 4.47Å; M312-K400 HydrophobicContact CE-CG 3.8Å; M312-K400 HydrophobicContact SD-CG 4.01Å; T396-K400 HydrophobicContact CG2-CD 4.49Å; T396-K400 WeakPolarHBondContact O-CG 3.38Å; T396-K400 PolarHBondContact O-N 3.29Å; Q397-K400 PolarHBondContact O-N 2.73Å; Q398-K400 VanDerWaalsContact C-N 3.33Å; Q398-K400 PolarHBondContact O-N 3.18Å; K400-I402 VanDerWaalsContact C-N 3.27Å; K400-I402 PolarHBondContact O-N 2.92Å; K400-I403 PolarHBondContact O-N 3.02Å; K400-I403 VanDerWaalsContact O-N 3.12Å; K400-Y404 HydrophobicContact CB-CD2 4.45Å; K400-Y404 HydrophobicContact CB-CE2 3.95Å; K400-Y404 WeakPolarHBondContact CE-OH 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.48Å; K400-Y404 VanDerWaalsContact O-CG 3.27Å; K400-Y404 PolarHBondContact O-N 3.16Å; K400-E423 WeakPolarHBondContact CE-OE1 3.19Å; K400-E423 WeakPolarHBondContact CE-OE2 3.24Å; K400-E423 IonicContact NZ-OE1 3.64Å; K400-E423 PolarHBondContact NZ-OE1 3.17Å; K400-E423 IonicContact NZ-OE2 3.72Å; K400-I425 HydrophobicContact CD-CD1 3.91Å; K400-I425 HydrophobicContact CG-CD1 4.31Å
401	E	97.3	Very high	96.9	Very high	70 Å²	70	52 Å²	52	33%	0.327	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-32.6	178	-67.1	-55.7	144.9	0	0	112.5	Q397 Q398 I399 R405 K417	Q397-E401 PolarHBondContact NE2-OE1 2.92Å; Q397-E401 PolarHBondContact O-N 2.75Å; Q397-E401 VanDerWaalsContact O-N 3.09Å; Q398-E401 PolarHBondContact O-N 2.96Å; I399-E401 PolarHBondContact O-N 3.49Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 2.92Å; E401-R405 VanDerWaalsContact O-N 3.12Å; E401-K417 IonicContact OE2-NZ 3.3Å; E401-K417 PolarHBondContact OE2-NZ 2.86Å
402	I	97.4	Very high	97	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-48.9	171	-66.5	165.7	0	0	0	110	Y349 P351 Q398 I399 K400 R405 K406	Y349-I402 HydrophobicContact CD1-CD1 4.29Å; P351-I402 HydrophobicContact CG-CG2 3.63Å; Q398-I402 HydrophobicContact CG-CD1 4.35Å; Q398-I402 WeakPolarHBondContact O-CG1 3.24Å; Q398-I402 PolarHBondContact O-N 3.01Å; Q398-I402 VanDerWaalsContact O-N 3.15Å; I399-I402 WeakPolarHBondContact O-CB 3.32Å; I399-I402 PolarHBondContact O-N 3.22Å; K400-I402 VanDerWaalsContact C-N 3.27Å; K400-I402 PolarHBondContact O-N 2.92Å; I402-R405 PolarHBondContact O-N 3.41Å; I402-K406 WeakPolarHBondContact O-CG 3.35Å; I402-K406 PolarHBondContact O-N 2.94Å
403	I	97.8	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.8	-73.2	170	0	0	0	111.4	F310 M312 V375 M377 I399 K400 R405 K406 L407	F310-I403 HydrophobicContact CD1-CD1 3.72Å; F310-I403 HydrophobicContact CE1-CD1 3.85Å; M312-I403 HydrophobicContact CG-CD1 4.06Å; M312-I403 HydrophobicContact SD-CB 3.96Å; M312-I403 HydrophobicContact SD-CD1 3.46Å; M312-I403 WeakPolarHBondContact SD-CD1 3.45Å; M312-I403 HydrophobicContact SD-CG1 4.3Å; M312-I403 HydrophobicContact SD-CG2 3.75Å; V375-I403 HydrophobicContact CB-CG2 4.39Å; V375-I403 HydrophobicContact CG1-CG2 3.85Å; V375-I403 HydrophobicContact CG2-CG2 4.43Å; M377-I403 HydrophobicContact CB-CD1 4.31Å; M377-I403 HydrophobicContact SD-CD1 4.4Å; M377-I403 HydrophobicContact SD-CG1 4.35Å; I399-I403 HydrophobicContact CG2-CD1 3.92Å; I399-I403 PolarHBondContact O-N 3.28Å; K400-I403 PolarHBondContact O-N 3.02Å; K400-I403 VanDerWaalsContact O-N 3.12Å; I403-R405 VanDerWaalsContact C-N 3.29Å; I403-R405 PolarHBondContact O-N 2.95Å; I403-K406 PolarHBondContact O-N 2.94Å; I403-K406 VanDerWaalsContact O-N 3.13Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 HydrophobicContact CG2-CG 4.19Å; I403-L407 WeakPolarHBondContact O-CG 3.49Å; I403-L407 PolarHBondContact O-N 2.78Å
404	Y	97.6	Very high	97	Very high	17 Å²	17	44.5 Å²	44.5	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-39	177.9	-59.7	-42.4	0	0	0	112.1	M312 I314 K400 L407 A408 I416 K417 I420 E423	M312-Y404 HydrophobicContact CE-CE1 3.8Å; I314-Y404 HydrophobicContact CD1-CE1 4.27Å; K400-Y404 HydrophobicContact CB-CD2 4.45Å; K400-Y404 HydrophobicContact CB-CE2 3.95Å; K400-Y404 WeakPolarHBondContact CE-OH 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.48Å; K400-Y404 VanDerWaalsContact O-CG 3.27Å; K400-Y404 PolarHBondContact O-N 3.16Å; Y404-L407 HydrophobicContact CD1-CD1 4.45Å; Y404-L407 PolarHBondContact O-N 2.6Å; Y404-A408 PolarHBondContact O-N 2.75Å; Y404-A408 VanDerWaalsContact O-N 3.07Å; Y404-I416 HydrophobicContact CD1-CG2 4.33Å; Y404-K417 HydrophobicContact CD1-CG 4.28Å; Y404-K417 HydrophobicContact CD2-CD 3.58Å; Y404-K417 HydrophobicContact CD2-CG 3.83Å; Y404-K417 HydrophobicContact CE2-CD 3.97Å; Y404-K417 HydrophobicContact CE2-CG 4.1Å; Y404-K417 HydrophobicContact CG-CD 4.07Å; Y404-K417 HydrophobicContact CG-CG 3.9Å; Y404-I420 HydrophobicContact CD1-CD1 4.4Å; Y404-I420 HydrophobicContact CE1-CD1 3.5Å; Y404-E423 PolarHBondContact OH-OE2 3.38Å
405	R	96.6	Very high	96.9	Very high	139 Å²	139	46.2 Å²	46.2	53%	0.525	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-41.2	174.5	-178.3	175.7	63.1	-108.1	2.8	111.8	Y349 E401 I402 I403	Y349-R405 PolarHBondContact O-NH2 3.17Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 2.92Å; E401-R405 VanDerWaalsContact O-N 3.12Å; I402-R405 PolarHBondContact O-N 3.41Å; I403-R405 VanDerWaalsContact C-N 3.29Å; I403-R405 PolarHBondContact O-N 2.95Å
406	K	96.8	Very high	96.9	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.057	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-41.2	174.7	-66.3	-62	-65.8	-175	0	111.6	I330 F331 D350 P351 I353 I402 I403 A408 T409	I330-K406 WeakPolarHBondContact CD1-O 3.45Å; F331-K406 PolarHBondContact O-NZ 3.41Å; D350-K406 WeakPolarHBondContact OD1-CD 3.31Å; D350-K406 WeakPolarHBondContact OD1-CE 3.19Å; D350-K406 IonicContact OD1-NZ 3.49Å; D350-K406 PolarHBondContact OD1-NZ 3.13Å; P351-K406 VanDerWaalsContact O-CE 3.24Å; P351-K406 WeakPolarHBondContact O-CE 3.24Å; I353-K406 HydrophobicContact CD1-CB 3.51Å; I353-K406 HydrophobicContact CD1-CG 4.47Å; I353-K406 HydrophobicContact CG1-CB 4.06Å; I402-K406 WeakPolarHBondContact O-CG 3.35Å; I402-K406 PolarHBondContact O-N 2.94Å; I403-K406 PolarHBondContact O-N 2.94Å; I403-K406 VanDerWaalsContact O-N 3.13Å; K406-A408 PolarHBondContact O-N 2.73Å; K406-T409 WeakPolarHBondContact O-CB 3.31Å; K406-T409 PolarHBondContact O-N 2.74Å; K406-T409 VanDerWaalsContact O-N 3.07Å; K406-T409 PolarHBondContact O-OG1 2.75Å
407	L	97.6	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-35.8	177.6	-72.7	174.4	0	0	0	112.2	I314 I330 I353 V355 V375 I403 Y404 T409 I410 F413 I416	I314-L407 HydrophobicContact CD1-CD1 4.06Å; I330-L407 HydrophobicContact CD1-CD2 4.44Å; I353-L407 HydrophobicContact CD1-CD2 4.16Å; I353-L407 HydrophobicContact CD1-CG 4.32Å; V355-L407 HydrophobicContact CB-CD2 4.47Å; V355-L407 HydrophobicContact CG1-CD2 4.07Å; V355-L407 HydrophobicContact CG2-CD2 3.52Å; V375-L407 HydrophobicContact CG2-CD1 4.13Å; V375-L407 HydrophobicContact CG2-CD2 4.04Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 HydrophobicContact CG2-CG 4.19Å; I403-L407 WeakPolarHBondContact O-CG 3.49Å; I403-L407 PolarHBondContact O-N 2.78Å; Y404-L407 HydrophobicContact CD1-CD1 4.45Å; Y404-L407 PolarHBondContact O-N 2.6Å; L407-T409 PolarHBondContact O-N 3.37Å; L407-I410 PolarHBondContact O-N 3.48Å; L407-F413 HydrophobicContact CB-CB 4.27Å; L407-F413 HydrophobicContact CD2-CD2 4.37Å; L407-F413 WeakPolarHBondContact O-CB 3.16Å; L407-I416 HydrophobicContact CD1-CD1 3.8Å
408	A	97	Very high	96.9	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11	176.1	0	0	0	0	0	114.4	Y404 K406 I410	Y404-A408 PolarHBondContact O-N 2.75Å; Y404-A408 VanDerWaalsContact O-N 3.07Å; K406-A408 PolarHBondContact O-N 2.73Å; A408-I410 PolarHBondContact O-N 2.93Å
409	T	97	Very high	96.9	Very high	20 Å²	20	47 Å²	47	12%	0.123	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.6	167.6	-56.5	0	0	0	0	112.1	Y89 D91 I330 K406 L407	Y89-T409 HydrophobicContact CD1-CG2 4.44Å; D91-T409 VanDerWaalsContact C-CG2 3.48Å; I330-T409 HydrophobicContact CG2-CG2 4.16Å; K406-T409 WeakPolarHBondContact O-CB 3.31Å; K406-T409 PolarHBondContact O-N 2.74Å; K406-T409 VanDerWaalsContact O-N 3.07Å; K406-T409 PolarHBondContact O-OG1 2.75Å; L407-T409 PolarHBondContact O-N 3.37Å
410	I	97	Very high	97	Very high	3 Å²	3	49 Å²	49	2%	0.015	24%	0.24	C	C	.	.	S	Bend	trans	-91	115.1	172.3	-53.2	-178.9	0	0	0	107.1	Y89 V324 N328 I330 L407 A408 V412 F413	Y89-I410 HydrophobicContact CD1-CG1 4.18Å; Y89-I410 HydrophobicContact CD2-CD1 4.34Å; Y89-I410 HydrophobicContact CD2-CG1 4.18Å; Y89-I410 HydrophobicContact CE1-CB 4.4Å; Y89-I410 HydrophobicContact CE1-CG1 3.92Å; Y89-I410 HydrophobicContact CE1-CG2 4.37Å; Y89-I410 HydrophobicContact CE2-CD1 3.94Å; Y89-I410 HydrophobicContact CE2-CG1 3.94Å; Y89-I410 HydrophobicContact CG-CG1 4.31Å; V324-I410 HydrophobicContact CG1-CG2 3.84Å; N328-I410 HydrophobicContact CB-CD1 4.2Å; I330-I410 HydrophobicContact CD1-CD1 3.98Å; I330-I410 HydrophobicContact CD1-CG1 4.09Å; I330-I410 HydrophobicContact CG1-CD1 4.34Å; I330-I410 HydrophobicContact CG1-CG1 4.33Å; L407-I410 PolarHBondContact O-N 3.48Å; A408-I410 PolarHBondContact O-N 2.93Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 HydrophobicContact CG2-CG1 4.07Å; I410-V412 PolarHBondContact O-N 3.34Å; I410-F413 HydrophobicContact CB-CB 4.5Å; I410-F413 HydrophobicContact CB-CD2 3.74Å; I410-F413 HydrophobicContact CB-CE2 4.39Å; I410-F413 HydrophobicContact CB-CG 4.44Å; I410-F413 HydrophobicContact CD1-CD2 3.91Å; I410-F413 HydrophobicContact CD1-CE2 3.95Å; I410-F413 HydrophobicContact CG1-CD2 4.3Å; I410-F413 HydrophobicContact CG2-CD2 3.95Å; I410-F413 HydrophobicContact CG2-CE2 4.23Å; I410-F413 WeakPolarHBondContact O-CA 3.35Å; I410-F413 WeakPolarHBondContact O-CB 3.44Å; I410-F413 PolarHBondContact O-N 3.45Å
411	E	95.6	Very high	97	Very high	149 Å²	149	50.9 Å²	50.9	70%	0.696	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-42.8	-46.6	-173.4	-174.7	-176.2	175.2	0	0	113.9	F413 E414	E411-F413 PolarHBondContact O-N 3.45Å; E411-F413 VanDerWaalsContact O-N 3.14Å; E411-E414 WeakPolarHBondContact O-CB 3.3Å; E411-E414 PolarHBondContact O-N 2.91Å
412	V	96	Very high	97	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.17	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.3	-178.6	75.5	0	0	0	0	114.3	V320 Q323 V324 I410	V320-V412 HydrophobicContact CB-CG1 4.2Å; V320-V412 HydrophobicContact CB-CG2 3.87Å; V320-V412 HydrophobicContact CG1-CG1 4.31Å; V320-V412 HydrophobicContact CG1-CG2 3.42Å; V320-V412 VanDerWaalsContact CG1-CG2 3.42Å; Q323-V412 HydrophobicContact CB-CB 4.25Å; Q323-V412 HydrophobicContact CB-CG1 4.4Å; Q323-V412 HydrophobicContact CB-CG2 4.26Å; V324-V412 HydrophobicContact CG1-CG1 3.46Å; V324-V412 VanDerWaalsContact CG1-CG1 3.46Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 HydrophobicContact CG2-CG1 4.07Å; I410-V412 PolarHBondContact O-N 3.34Å
413	F	97.2	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-104.5	7.2	179.6	-61	-33.8	0	0	0	113.5	I316 V320 V324 V355 V357 I373 L407 I410 E411 D415 I416	I316-F413 HydrophobicContact CD1-CE1 4.18Å; V320-F413 HydrophobicContact CB-CE1 4.48Å; V320-F413 HydrophobicContact CG1-CE1 4.34Å; V320-F413 HydrophobicContact CG2-CE1 3.86Å; V320-F413 HydrophobicContact CG2-CZ 4.14Å; V324-F413 HydrophobicContact CG1-CE2 4.14Å; V324-F413 HydrophobicContact CG1-CZ 4.02Å; V355-F413 HydrophobicContact CG1-CE2 4.37Å; V357-F413 HydrophobicContact CG2-CZ 4.46Å; I373-F413 HydrophobicContact CD1-CD1 4.13Å; I373-F413 HydrophobicContact CD1-CE1 3.41Å; I373-F413 VanDerWaalsContact CD1-CE1 3.41Å; I373-F413 HydrophobicContact CD1-CE2 4.44Å; I373-F413 HydrophobicContact CD1-CZ 3.61Å; I373-F413 HydrophobicContact CG1-CE1 4.41Å; I373-F413 HydrophobicContact CG1-CZ 4.22Å; L407-F413 HydrophobicContact CB-CB 4.27Å; L407-F413 HydrophobicContact CD2-CD2 4.37Å; L407-F413 WeakPolarHBondContact O-CB 3.16Å; I410-F413 HydrophobicContact CB-CB 4.5Å; I410-F413 HydrophobicContact CB-CD2 3.74Å; I410-F413 HydrophobicContact CB-CE2 4.39Å; I410-F413 HydrophobicContact CB-CG 4.44Å; I410-F413 HydrophobicContact CD1-CD2 3.91Å; I410-F413 HydrophobicContact CD1-CE2 3.95Å; I410-F413 HydrophobicContact CG1-CD2 4.3Å; I410-F413 HydrophobicContact CG2-CD2 3.95Å; I410-F413 HydrophobicContact CG2-CE2 4.23Å; I410-F413 WeakPolarHBondContact O-CA 3.35Å; I410-F413 WeakPolarHBondContact O-CB 3.44Å; I410-F413 PolarHBondContact O-N 3.45Å; E411-F413 PolarHBondContact O-N 3.45Å; E411-F413 VanDerWaalsContact O-N 3.14Å; F413-D415 VanDerWaalsContact C-N 3.29Å; F413-D415 PolarHBondContact O-N 2.9Å; F413-I416 HydrophobicContact CB-CB 4.12Å; F413-I416 HydrophobicContact CB-CD1 4.37Å; F413-I416 HydrophobicContact CD1-CD1 4.05Å; F413-I416 HydrophobicContact CD1-CG1 4.38Å; F413-I416 HydrophobicContact CG-CD1 4.23Å; F413-I416 VanDerWaalsContact O-CB 3.27Å; F413-I416 WeakPolarHBondContact O-CB 3.48Å; F413-I416 WeakPolarHBondContact O-CG2 3.5Å; F413-I416 PolarHBondContact O-N 3.38Å
414	E	96	Very high	97.1	Very high	143 Å²	143	51.1 Å²	51.1	67%	0.668	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-44.4	179.4	-170.1	-179.8	-179.5	0	0	112.2	E411	E411-E414 WeakPolarHBondContact O-CB 3.3Å; E411-E414 PolarHBondContact O-N 2.91Å
415	D	94.9	Very high	97.1	Very high	102 Å²	102	52.4 Å²	52.4	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	30.7	175.2	-165.7	32.6	0	0	0	112.8	F413 K417 S418	F413-D415 VanDerWaalsContact C-N 3.29Å; F413-D415 PolarHBondContact O-N 2.9Å; D415-K417 PolarHBondContact O-N 2.71Å; D415-S418 PolarHBondContact O-N 3.22Å; D415-S418 VanDerWaalsContact O-N 3.07Å; D415-S418 PolarHBondContact O-OG 3.01Å; D415-S418 VanDerWaalsContact OD2-CB 3.29Å; D415-S418 WeakPolarHBondContact OD2-CB 3.5Å; D415-S418 PolarHBondContact OD2-OG 3.25Å
416	I	96.8	Very high	97.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-52.4	-34.8	-175.4	-168.1	176.1	0	0	0	112.9	I316 I373 Y404 L407 F413 S418 H419 I420	I316-I416 HydrophobicContact CG2-CD1 4.39Å; I316-I416 HydrophobicContact CG2-CG1 3.92Å; I373-I416 HydrophobicContact CD1-CD1 3.8Å; Y404-I416 HydrophobicContact CD1-CG2 4.33Å; L407-I416 HydrophobicContact CD1-CD1 3.8Å; F413-I416 HydrophobicContact CB-CB 4.12Å; F413-I416 HydrophobicContact CB-CD1 4.37Å; F413-I416 HydrophobicContact CD1-CD1 4.05Å; F413-I416 HydrophobicContact CD1-CG1 4.38Å; F413-I416 HydrophobicContact CG-CD1 4.23Å; F413-I416 VanDerWaalsContact O-CB 3.27Å; F413-I416 WeakPolarHBondContact O-CB 3.48Å; F413-I416 WeakPolarHBondContact O-CG2 3.5Å; F413-I416 PolarHBondContact O-N 3.38Å; I416-S418 VanDerWaalsContact C-N 3.27Å; I416-S418 PolarHBondContact O-N 3.36Å; I416-H419 PolarHBondContact O-N 3.37Å; I416-I420 WeakPolarHBondContact O-CG1 3.32Å; I416-I420 PolarHBondContact O-N 2.89Å
417	K	97	Very high	97.1	Very high	113 Å²	113	46.4 Å²	46.4	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-59.3	-33.5	-177.9	-75.4	-166.8	-79.9	-169.4	0	113.3	E401 Y404 D415 H419	E401-K417 IonicContact OE2-NZ 3.3Å; E401-K417 PolarHBondContact OE2-NZ 2.86Å; Y404-K417 HydrophobicContact CD1-CG 4.28Å; Y404-K417 HydrophobicContact CD2-CD 3.58Å; Y404-K417 HydrophobicContact CD2-CG 3.83Å; Y404-K417 HydrophobicContact CE2-CD 3.97Å; Y404-K417 HydrophobicContact CE2-CG 4.1Å; Y404-K417 HydrophobicContact CG-CD 4.07Å; Y404-K417 HydrophobicContact CG-CG 3.9Å; D415-K417 PolarHBondContact O-N 2.71Å; K417-H419 PolarHBondContact O-N 3.47Å
418	S	97.4	Very high	97	Very high	69 Å²	69	46.4 Å²	46.4	48%	0.483	24%	0.243	S	C	.	.	H	α-helix	trans	-73.2	-18.1	179.6	71.6	0	0	0	0	112.8	D415 I416	D415-S418 PolarHBondContact O-N 3.22Å; D415-S418 VanDerWaalsContact O-N 3.07Å; D415-S418 PolarHBondContact O-OG 3.01Å; D415-S418 VanDerWaalsContact OD2-CB 3.29Å; D415-S418 WeakPolarHBondContact OD2-CB 3.5Å; D415-S418 PolarHBondContact OD2-OG 3.25Å; I416-S418 VanDerWaalsContact C-N 3.27Å; I416-S418 PolarHBondContact O-N 3.36Å
419	H	98	Very high	97	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-101.4	-7.4	-175.7	-68.5	-68.4	0	0	0	114.5	I316 D317 I318 I416 K417 V421	I316-H419 CarbonylContact C-O 3.48Å; I316-H419 WeakPolarHBondContact CA-O 3.48Å; I316-H419 HydrophobicContact CB-CB 4.06Å; I316-H419 HydrophobicContact CG2-CB 4.27Å; D317-H419 PolarHBondContact N-O 3.38Å; D317-H419 WeakPolarHBondContact OD1-CA 3.29Å; D317-H419 WeakPolarHBondContact OD1-CB 3.47Å; D317-H419 IonicContact OD1-CE1 3.62Å; D317-H419 IonicContact OD1-CG 2.73Å; D317-H419 IonicContact OD1-ND1 2.64Å; D317-H419 PolarHBondContact OD1-ND1 3Å; I318-H419 HydrophobicContact CG1-CB 4.4Å; I318-H419 WeakPolarHBondContact CG2-ND1 3.47Å; I416-H419 PolarHBondContact O-N 3.37Å; K417-H419 PolarHBondContact O-N 3.47Å; H419-V421 PolarHBondContact O-N 3.19Å
420	I	98.1	Very high	96.9	Very high	45 Å²	45	48.5 Å²	48.5	23%	0.231	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.7	-176.8	-58.7	-179.4	0	0	0	110.6	I314 I316 Y404 I416 E423	I314-I420 HydrophobicContact CG2-CB 4.46Å; I314-I420 HydrophobicContact CG2-CD1 4.01Å; I314-I420 HydrophobicContact CG2-CG1 3.79Å; I314-I420 HydrophobicContact CG2-CG2 4.09Å; I316-I420 HydrophobicContact CG2-CG1 4.38Å; Y404-I420 HydrophobicContact CD1-CD1 4.4Å; Y404-I420 HydrophobicContact CE1-CD1 3.5Å; I416-I420 WeakPolarHBondContact O-CG1 3.32Å; I416-I420 PolarHBondContact O-N 2.89Å; I420-E423 HydrophobicContact CG2-CB 4.27Å
421	V	98.3	Very high	96.8	Very high	65 Å²	65	48.8 Å²	48.8	39%	0.394	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-13.6	175.3	-66.5	0	0	0	0	113.4	F47 G315 D317 H419	F47-V421 HydrophobicContact CE2-CG2 3.95Å; F47-V421 HydrophobicContact CZ-CG2 3.93Å; G315-V421 WeakPolarHBondContact O-CG2 3.29Å; G315-V421 PolarHBondContact O-N 3.31Å; D317-V421 HydrophobicContact CB-CG1 3.81Å; D317-V421 HydrophobicContact CB-CG2 4.42Å; H419-V421 PolarHBondContact O-N 3.19Å
422	S	98.2	Very high	96.6	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.5	172.7	-168.2	0	0	0	0	109.6	D45 I314 G315	D45-S422 VanDerWaalsContact OD2-CB 3.24Å; D45-S422 WeakPolarHBondContact OD2-CB 3.47Å; D45-S422 PolarHBondContact OD2-OG 3.42Å; I314-S422 CarbonylContact C-O 3.58Å; I314-S422 WeakPolarHBondContact CA-O 3.07Å; G315-S422 PolarHBondContact N-O 2.86Å; G315-S422 PolarHBondContact O-N 3.49Å; G315-S422 VanDerWaalsContact O-N 3.14Å
423	E	97.8	Very high	96.4	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.21	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.7	174.8	-175.1	177	77.6	0	0	110.1	K44 M312 Y313 K400 Y404 I420	K44-E423 PolarHBondContact NZ-O 2.97Å; M312-E423 HydrophobicContact CE-CG 4.33Å; M312-E423 WeakPolarHBondContact CE-OE2 3.48Å; Y313-E423 CarbonylContact O-C 3.57Å; Y313-E423 VanDerWaalsContact O-CA 3.3Å; Y313-E423 WeakPolarHBondContact O-CA 3.41Å; K400-E423 WeakPolarHBondContact CE-OE1 3.19Å; K400-E423 WeakPolarHBondContact CE-OE2 3.24Å; K400-E423 IonicContact NZ-OE1 3.64Å; K400-E423 PolarHBondContact NZ-OE1 3.17Å; K400-E423 IonicContact NZ-OE2 3.72Å; Y404-E423 PolarHBondContact OH-OE2 3.38Å; I420-E423 HydrophobicContact CG2-CB 4.27Å
424	T	97.7	Very high	96	Very high	33 Å²	33	52.4 Å²	52.4	20%	0.202	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.5	170.7	-53.2	0	0	0	0	109.5	L42 K44 M312 Y313	L42-T424 HydrophobicContact CD2-CG2 3.75Å; K44-T424 WeakPolarHBondContact CD-OG1 3.36Å; K44-T424 PolarHBondContact NZ-OG1 2.9Å; K44-T424 VanDerWaalsContact NZ-OG1 3.1Å; M312-T424 WeakPolarHBondContact CA-O 3.32Å; Y313-T424 HydrophobicContact CD2-CG2 4.3Å; Y313-T424 PolarHBondContact N-O 3.24Å; Y313-T424 PolarHBondContact O-N 3.23Å
425	I	97.5	Very high	95.6	Very high	45 Å²	45	46.8 Å²	46.8	23%	0.231	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.6	-179.7	-59.9	171.3	0	0	0	108.5	F310 L311 T396 K400 T427	F310-I425 HydrophobicContact CD2-CG2 4.16Å; F310-I425 HydrophobicContact CE1-CG2 4Å; F310-I425 HydrophobicContact CE2-CG2 3.4Å; F310-I425 VanDerWaalsContact CE2-CG2 3.4Å; F310-I425 HydrophobicContact CZ-CB 4.44Å; F310-I425 HydrophobicContact CZ-CD1 4.17Å; F310-I425 HydrophobicContact CZ-CG1 4.32Å; F310-I425 HydrophobicContact CZ-CG2 3.31Å; L311-I425 CarbonylContact O-C 3.57Å; L311-I425 WeakPolarHBondContact O-CA 3.46Å; T396-I425 HydrophobicContact CG2-CD1 3.32Å; K400-I425 HydrophobicContact CD-CD1 3.91Å; K400-I425 HydrophobicContact CG-CD1 4.31Å; I425-T427 HydrophobicContact CG2-CG2 3.79Å
426	F	96.9	Very high	95.3	Very high	16 Å²	16	45.6 Å²	45.6	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.7	173.2	-163.6	-81.6	0	0	0	109.3	M51 L311 Y313 D430 F431 T434 Y435	M51-F426 HydrophobicContact CE-CD2 3.87Å; M51-F426 HydrophobicContact CE-CE2 3.71Å; L311-F426 HydrophobicContact CB-CB 4.09Å; L311-F426 HydrophobicContact CD1-CB 4.42Å; L311-F426 HydrophobicContact CD1-CD1 4.33Å; L311-F426 PolarHBondContact N-O 3.28Å; L311-F426 PolarHBondContact O-N 3.46Å; Y313-F426 HydrophobicContact CE2-CB 3.92Å; F426-D430 HydrophobicContact CD1-CB 3.67Å; F426-D430 HydrophobicContact CD2-CB 3.62Å; F426-D430 HydrophobicContact CE1-CB 3.58Å; F426-D430 HydrophobicContact CE2-CB 3.54Å; F426-D430 HydrophobicContact CG-CB 3.69Å; F426-D430 VanDerWaalsContact CZ-C 3.43Å; F426-D430 HydrophobicContact CZ-CB 3.52Å; F426-D430 WeakPolarHBondContact CZ-O 3.47Å; F426-F431 HydrophobicContact CD1-CD1 4.48Å; F426-F431 AromaticContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CE1 4.37Å; F426-F431 AromaticContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CG 4.29Å; F426-F431 HydrophobicContact CD1-CZ 4.07Å; F426-F431 HydrophobicContact CE1-CB 4.27Å; F426-F431 AromaticContact CE1-CD1 3.73Å; F426-F431 HydrophobicContact CE1-CD1 3.73Å; F426-F431 AromaticContact CE1-CD2 3.84Å; F426-F431 HydrophobicContact CE1-CD2 3.84Å; F426-F431 AromaticContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE2 4.04Å; F426-F431 AromaticContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CZ 4.09Å; F426-T434 HydrophobicContact CZ-CG2 4.47Å; F426-Y435 HydrophobicContact CE1-CE2 4.29Å; F426-Y435 HydrophobicContact CZ-CD2 4.38Å; F426-Y435 AromaticContact CZ-CE2 3.86Å; F426-Y435 HydrophobicContact CZ-CE2 3.86Å
427	T	97	Very high	95	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	23%	0.233	C	C	.	.			trans	-111.8	173.2	-167	69.3	0	0	0	0	111.3	F310 W390 I425 N429 D430 F431	F310-T427 HydrophobicContact CD2-CG2 3.99Å; F310-T427 HydrophobicContact CE2-CG2 3.98Å; W390-T427 HydrophobicContact CE3-CG2 4.19Å; I425-T427 HydrophobicContact CG2-CG2 3.79Å; T427-N429 PolarHBondContact O-N 3.25Å; T427-N429 PolarHBondContact OG1-N 2.52Å; T427-D430 WeakPolarHBondContact CB-OD2 3.46Å; T427-D430 PolarHBondContact N-OD2 3.42Å; T427-D430 WeakPolarHBondContact O-CB 3.48Å; T427-D430 PolarHBondContact O-N 2.57Å; T427-D430 PolarHBondContact OG1-OD2 3.49Å; T427-F431 VanDerWaalsContact O-CD2 3.3Å; T427-F431 WeakPolarHBondContact O-CD2 3.25Å; T427-F431 PolarHBondContact O-N 2.87Å; T427-F431 VanDerWaalsContact O-N 3.1Å
428	P	96.6	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-53	-34.3	170.6	-28.7	38.2	0	0	0	114.1	S308 L382 W390 D430 F431 E432 G440	S308-P428 WeakPolarHBondContact OG-CA 3.48Å; S308-P428 WeakPolarHBondContact OG-CB 3.12Å; S308-P428 VanDerWaalsContact OG-CG 3.29Å; S308-P428 WeakPolarHBondContact OG-CG 3.43Å; L382-P428 HydrophobicContact CD2-CB 3.74Å; L382-P428 HydrophobicContact CG-CB 4Å; W390-P428 HydrophobicContact CD2-CG 4.09Å; W390-P428 VanDerWaalsContact CE2-CG 3.48Å; W390-P428 HydrophobicContact CH2-CG 4.3Å; W390-P428 HydrophobicContact CZ2-CG 3.6Å; P428-D430 VanDerWaalsContact C-N 3.35Å; P428-F431 PolarHBondContact O-N 3.5Å; P428-E432 PolarHBondContact O-N 2.87Å; P428-G440 WeakPolarHBondContact O-CA 3.3Å
429	N	96.7	Very high	94.7	Very high	44 Å²	44	40.2 Å²	40.2	24%	0.235	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-41.5	173.9	-78	-6.4	0	0	0	111.7	L382 T427 F431 E432 Q433	L382-N429 WeakPolarHBondContact CD2-OD1 3.24Å; T427-N429 PolarHBondContact O-N 3.25Å; T427-N429 PolarHBondContact OG1-N 2.52Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 2.81Å; N429-E432 PolarHBondContact O-N 2.8Å; N429-Q433 WeakPolarHBondContact O-CG 3.34Å; N429-Q433 PolarHBondContact O-N 2.91Å
430	D	95.2	Very high	94.5	Very high	48 Å²	48	37.8 Å²	37.8	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-68	-34.8	179.6	-57.3	-65.9	0	0	0	111.6	F426 T427 P428 T434	F426-D430 HydrophobicContact CD1-CB 3.67Å; F426-D430 HydrophobicContact CD2-CB 3.62Å; F426-D430 HydrophobicContact CE1-CB 3.58Å; F426-D430 HydrophobicContact CE2-CB 3.54Å; F426-D430 HydrophobicContact CG-CB 3.69Å; F426-D430 VanDerWaalsContact CZ-C 3.43Å; F426-D430 HydrophobicContact CZ-CB 3.52Å; F426-D430 WeakPolarHBondContact CZ-O 3.47Å; T427-D430 WeakPolarHBondContact CB-OD2 3.46Å; T427-D430 PolarHBondContact N-OD2 3.42Å; T427-D430 WeakPolarHBondContact O-CB 3.48Å; T427-D430 PolarHBondContact O-N 2.57Å; T427-D430 PolarHBondContact OG1-OD2 3.49Å; P428-D430 VanDerWaalsContact C-N 3.35Å; D430-T434 WeakPolarHBondContact O-CB 3.33Å; D430-T434 PolarHBondContact O-N 2.87Å; D430-T434 PolarHBondContact O-OG1 3.01Å
431	F	93.2	Very high	94.3	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.044	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-44.9	172	-79.7	-72	0	0	0	111.9	A309 L311 F426 T427 P428 N429 Y435 A437 G440 A442	A309-F431 HydrophobicContact CB-CE2 4.03Å; A309-F431 HydrophobicContact CB-CZ 4.28Å; A309-F431 WeakPolarHBondContact O-CE2 3.36Å; L311-F431 HydrophobicContact CD1-CE2 4.38Å; L311-F431 HydrophobicContact CD1-CZ 3.8Å; L311-F431 HydrophobicContact CG-CE2 4.45Å; L311-F431 HydrophobicContact CG-CZ 4.27Å; F426-F431 HydrophobicContact CD1-CD1 4.48Å; F426-F431 AromaticContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CE1 4.37Å; F426-F431 AromaticContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CG 4.29Å; F426-F431 HydrophobicContact CD1-CZ 4.07Å; F426-F431 HydrophobicContact CE1-CB 4.27Å; F426-F431 AromaticContact CE1-CD1 3.73Å; F426-F431 HydrophobicContact CE1-CD1 3.73Å; F426-F431 AromaticContact CE1-CD2 3.84Å; F426-F431 HydrophobicContact CE1-CD2 3.84Å; F426-F431 AromaticContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE2 4.04Å; F426-F431 AromaticContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CZ 4.09Å; T427-F431 VanDerWaalsContact O-CD2 3.3Å; T427-F431 WeakPolarHBondContact O-CD2 3.25Å; T427-F431 PolarHBondContact O-N 2.87Å; T427-F431 VanDerWaalsContact O-N 3.1Å; P428-F431 PolarHBondContact O-N 3.5Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 2.81Å; F431-Y435 HydrophobicContact CD1-CD2 4.08Å; F431-Y435 HydrophobicContact CD1-CE2 4.35Å; F431-Y435 PolarHBondContact O-N 3.36Å; F431-Y435 VanDerWaalsContact O-N 3.16Å; F431-A437 HydrophobicContact CB-CB 4.38Å; F431-A437 WeakPolarHBondContact O-CB 3.37Å; F431-A437 PolarHBondContact O-N 3.04Å; F431-G440 WeakPolarHBondContact CB-O 3.45Å; F431-A442 HydrophobicContact CD1-CB 4.45Å; F431-A442 HydrophobicContact CE1-CB 4.05Å; F431-A442 HydrophobicContact CE2-CB 4.14Å; F431-A442 HydrophobicContact CZ-CB 3.87Å
432	E	93	Very high	93.9	Very high	71 Å²	71	33.2 Å²	33.2	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-66	-47.7	178.8	-172.8	167.6	-108.3	0	0	111.4	L382 P428 N429 H436 A437 F439	L382-E432 HydrophobicContact CD1-CB 4.18Å; P428-E432 PolarHBondContact O-N 2.87Å; N429-E432 PolarHBondContact O-N 2.8Å; E432-H436 WeakPolarHBondContact O-CA 3.24Å; E432-H436 PolarHBondContact O-N 3.07Å; E432-A437 WeakPolarHBondContact CA-O 3.2Å; E432-F439 WeakPolarHBondContact OE1-CA 3.41Å; E432-F439 PolarHBondContact OE1-N 2.75Å; E432-F439 VanDerWaalsContact OE1-N 3.1Å
433	Q	91.7	Very high	93.3	Very high	136 Å²	136	35.1 Å²	35.1	64%	0.636	17%	0.173	S	C	*	.	H	α-helix	trans	-69.9	-45.6	-177.6	-67.6	176.5	16.3	0	0	112.7	N429	N429-Q433 WeakPolarHBondContact O-CG 3.34Å; N429-Q433 PolarHBondContact O-N 2.91Å
434	T	88.4	Confident	92.8	Very high	47 Å²	47	33 Å²	33	29%	0.288	16%	0.163	S	C	.	.	H	α-helix	trans	-75.5	-41.7	-173.5	-55.1	0	0	0	0	111.9	K31 F426 D430	K31-T434 WeakPolarHBondContact CE-O 3.36Å; K31-T434 PolarHBondContact NZ-O 3.13Å; F426-T434 HydrophobicContact CZ-CG2 4.47Å; D430-T434 WeakPolarHBondContact O-CB 3.33Å; D430-T434 PolarHBondContact O-N 2.87Å; D430-T434 PolarHBondContact O-OG1 3.01Å
435	Y	86.9	Confident	92.5	Very high	25 Å²	25	31.4 Å²	31.4	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-113.5	2.6	-170.3	-58.7	-58.6	0	0	0	114.6	G37 R38 F426 F431 A437	G37-Y435 VanDerWaalsContact O-CE1 3.23Å; G37-Y435 WeakPolarHBondContact O-CE1 3.44Å; R38-Y435 HydrophobicContact CG-CD1 3.9Å; R38-Y435 HydrophobicContact CG-CD2 3.99Å; R38-Y435 HydrophobicContact CG-CE1 4.15Å; R38-Y435 HydrophobicContact CG-CE2 4.2Å; R38-Y435 HydrophobicContact CG-CG 3.82Å; F426-Y435 HydrophobicContact CE1-CE2 4.29Å; F426-Y435 HydrophobicContact CZ-CD2 4.38Å; F426-Y435 AromaticContact CZ-CE2 3.86Å; F426-Y435 HydrophobicContact CZ-CE2 3.86Å; F431-Y435 HydrophobicContact CD1-CD2 4.08Å; F431-Y435 HydrophobicContact CD1-CE2 4.35Å; F431-Y435 PolarHBondContact O-N 3.36Å; F431-Y435 VanDerWaalsContact O-N 3.16Å; Y435-A437 PolarHBondContact O-N 2.82Å
436	H	89.6	Confident	92	Very high	77 Å²	77	30.8 Å²	30.8	36%	0.356	15%	0.15	S	C	.	.			trans	49.3	37.2	-167.5	-53	-57.3	0	0	0	111.3	K31 E244 S280 E432 K438	K31-H436 VanDerWaalsContact CD-NE2 3.32Å; K31-H436 WeakPolarHBondContact CD-NE2 3.33Å; K31-H436 VanDerWaalsContact CE-CD2 3.45Å; K31-H436 WeakPolarHBondContact CE-CD2 3.49Å; K31-H436 VanDerWaalsContact CE-NE2 3.27Å; K31-H436 WeakPolarHBondContact CE-NE2 3.35Å; E244-H436 IonicContact OE1-NE2 3.79Å; S280-H436 PolarHBondContact OG-O 3.34Å; E432-H436 WeakPolarHBondContact O-CA 3.24Å; E432-H436 PolarHBondContact O-N 3.07Å; H436-K438 PolarHBondContact O-N 2.85Å
437	A	90.4	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.			trans	-76.2	109.6	175.7	0	0	0	0	0	107.7	F431 E432 Y435 F439 G440	F431-A437 HydrophobicContact CB-CB 4.38Å; F431-A437 WeakPolarHBondContact O-CB 3.37Å; F431-A437 PolarHBondContact O-N 3.04Å; E432-A437 WeakPolarHBondContact CA-O 3.2Å; Y435-A437 PolarHBondContact O-N 2.82Å; A437-F439 PolarHBondContact O-N 3.19Å; A437-G440 WeakPolarHBondContact O-CA 3.15Å; A437-G440 PolarHBondContact O-N 2.88Å
438	K	93.3	Very high	90.6	Very high	37 Å²	37	31.7 Å²	31.7	16%	0.161	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-54.8	129	-176.8	-175.4	66.7	169	-164.7	0	110.5	P279 E283 Y305 H436 G440 S441	P279-K438 HydrophobicContact CB-CB 3.9Å; P279-K438 HydrophobicContact CB-CG 4.2Å; E283-K438 WeakPolarHBondContact OE1-CE 3.35Å; E283-K438 IonicContact OE1-NZ 2.9Å; E283-K438 PolarHBondContact OE1-NZ 3.07Å; E283-K438 WeakPolarHBondContact OE2-CE 3.41Å; E283-K438 IonicContact OE2-NZ 2.8Å; E283-K438 PolarHBondContact OE2-NZ 2.8Å; Y305-K438 HydrophobicContact CD1-CB 4.49Å; Y305-K438 HydrophobicContact CE1-CB 3.66Å; Y305-K438 HydrophobicContact CE1-CG 3.8Å; Y305-K438 HydrophobicContact CE2-CG 4.39Å; Y305-K438 WeakPolarHBondContact OH-CG 3.47Å; H436-K438 PolarHBondContact O-N 2.85Å; K438-G440 PolarHBondContact O-N 2.71Å; K438-S441 PolarHBondContact O-N 3.36Å; K438-S441 PolarHBondContact O-OG 3.01Å
439	F	94.8	Very high	89.7	Confident	36 Å²	36	35.7 Å²	35.7	16%	0.158	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	56.1	26.1	-174.8	-50.5	-54.7	0	0	0	114.6	Y305 E381 L382 K383 E432 A437 S441	Y305-F439 AromaticContact CD2-CD2 3.54Å; Y305-F439 HydrophobicContact CD2-CD2 3.54Å; Y305-F439 AromaticContact CD2-CE2 3.87Å; Y305-F439 HydrophobicContact CD2-CE2 3.87Å; Y305-F439 AromaticContact CE2-CD2 3.6Å; Y305-F439 HydrophobicContact CE2-CD2 3.6Å; Y305-F439 AromaticContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CG-CD2 4.02Å; E381-F439 WeakPolarHBondContact CB-O 3.23Å; E381-F439 WeakPolarHBondContact OE2-CB 3.28Å; L382-F439 HydrophobicContact CB-CB 4.2Å; L382-F439 WeakPolarHBondContact CB-O 3.13Å; L382-F439 WeakPolarHBondContact CG-O 3.1Å; L382-F439 PolarHBondContact N-O 3.39Å; K383-F439 HydrophobicContact CB-CB 4.31Å; K383-F439 HydrophobicContact CB-CD1 3.97Å; K383-F439 HydrophobicContact CB-CD2 3.92Å; K383-F439 HydrophobicContact CB-CE1 4.2Å; K383-F439 HydrophobicContact CB-CE2 4.17Å; K383-F439 HydrophobicContact CB-CG 3.83Å; K383-F439 HydrophobicContact CB-CZ 4.3Å; K383-F439 HydrophobicContact CD-CD2 4.28Å; K383-F439 HydrophobicContact CD-CE2 3.8Å; K383-F439 HydrophobicContact CD-CZ 4.04Å; E432-F439 WeakPolarHBondContact OE1-CA 3.41Å; E432-F439 PolarHBondContact OE1-N 2.75Å; E432-F439 VanDerWaalsContact OE1-N 3.1Å; A437-F439 PolarHBondContact O-N 3.19Å; F439-S441 PolarHBondContact O-N 2.84Å; F439-S441 VanDerWaalsContact O-N 3.17Å
440	G	94.2	Very high	89.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	65.8	16.5	-179.5	0	0	0	0	0	114.1	S308 P428 F431 A437 K438 A442	S308-G440 VanDerWaalsContact CB-O 3.28Å; S308-G440 WeakPolarHBondContact CB-O 3.29Å; S308-G440 PolarHBondContact OG-O 2.91Å; P428-G440 WeakPolarHBondContact O-CA 3.3Å; F431-G440 WeakPolarHBondContact CB-O 3.45Å; A437-G440 WeakPolarHBondContact O-CA 3.15Å; A437-G440 PolarHBondContact O-N 2.88Å; K438-G440 PolarHBondContact O-N 2.71Å; G440-A442 PolarHBondContact O-N 2.85Å
441	S	93.2	Very high	88.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.			trans	-63.2	116.7	-177.4	56.3	0	0	0	0	111.8	Y305 K438 F439 F443 G444	Y305-S441 WeakPolarHBondContact CD1-OG 3.12Å; K438-S441 PolarHBondContact O-N 3.36Å; K438-S441 PolarHBondContact O-OG 3.01Å; F439-S441 PolarHBondContact O-N 2.84Å; F439-S441 VanDerWaalsContact O-N 3.17Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 2.81Å; S441-G444 PolarHBondContact O-N 2.81Å
442	A	89.6	Confident	88.5	Confident	13 Å²	13	35.7 Å²	35.7	11%	0.107	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.7	-174.1	0	0	0	0	0	111.8	C307 A309 F431 G440	C307-A442 PolarHBondContact O-N 3.41Å; A309-A442 HydrophobicContact CB-CB 4.22Å; F431-A442 HydrophobicContact CD1-CB 4.45Å; F431-A442 HydrophobicContact CE1-CB 4.05Å; F431-A442 HydrophobicContact CE2-CB 4.14Å; F431-A442 HydrophobicContact CZ-CB 3.87Å; G440-A442 PolarHBondContact O-N 2.85Å
443	F	85.8	Confident	88.3	Confident	45 Å²	45	33.9 Å²	33.9	20%	0.197	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	9.1	-176.7	-43.7	-86.6	0	0	0	113.5	Y190 S306 L376 S441 A478	Y190-F443 WeakPolarHBondContact O-CD1 3.49Å; S306-F443 WeakPolarHBondContact OG-CA 3.38Å; S306-F443 VanDerWaalsContact OG-CB 3.31Å; S306-F443 WeakPolarHBondContact OG-CB 3.35Å; S306-F443 PolarHBondContact OG-N 3.47Å; L376-F443 HydrophobicContact CD1-CZ 4.49Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 2.81Å; F443-A478 WeakPolarHBondContact O-CB 3.24Å
444	G	87.2	Confident	88.1	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.			trans	73	-147.5	179	0	0	0	0	0	114.1	S306 S441 M446	S306-G444 WeakPolarHBondContact CB-O 3.24Å; S306-G444 PolarHBondContact N-O 2.97Å; S306-G444 PolarHBondContact OG-N 2.88Å; S306-G444 VanDerWaalsContact OG-N 3.16Å; S306-G444 PolarHBondContact OG-O 3.01Å; S441-G444 PolarHBondContact O-N 2.81Å; G444-M446 PolarHBondContact O-N 3.36Å
445	L	90.3	Very high	88.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-64	125.9	180	-70.7	-179.3	0	0	0	112.2	P279 L303 Y305 R456 P457 S473	P279-L445 HydrophobicContact CG-CD2 4.19Å; P279-L445 HydrophobicContact CG-CG 4.29Å; L303-L445 HydrophobicContact CB-CD2 3.73Å; L303-L445 HydrophobicContact CD1-CD1 3.99Å; L303-L445 HydrophobicContact CD1-CD2 3.61Å; L303-L445 HydrophobicContact CD1-CG 4.47Å; L303-L445 HydrophobicContact CG-CD2 4.26Å; Y305-L445 HydrophobicContact CD1-CD2 3.95Å; Y305-L445 HydrophobicContact CE1-CD2 3.53Å; Y305-L445 HydrophobicContact CE2-CD2 4.31Å; L445-R456 PolarHBondContact O-NH1 3.47Å; L445-R456 PolarHBondContact O-NH2 2.95Å; L445-P457 HydrophobicContact CD1-CG 4.08Å; L445-S473 WeakPolarHBondContact CD1-O 3.36Å
446	M	88.2	Confident	88.5	Confident	32 Å²	32	30.7 Å²	30.7	16%	0.158	16%	0.16	C	C	.	.			trans	-56.3	129.7	179.1	-166.8	-174.9	-66.2	0	0	109.9	I193 D304 Y305 F343 G444 T448 Q451	I193-M446 HydrophobicContact CG2-CG 3.83Å; D304-M446 HydrophobicContact CB-CB 3.9Å; D304-M446 HydrophobicContact CB-SD 4.37Å; D304-M446 WeakPolarHBondContact O-CB 3.36Å; D304-M446 PolarHBondContact O-N 2.96Å; Y305-M446 WeakPolarHBondContact O-CE 3.32Å; F343-M446 HydrophobicContact CD1-CE 4.17Å; F343-M446 HydrophobicContact CE1-CE 3.73Å; G444-M446 PolarHBondContact O-N 3.36Å; M446-T448 HydrophobicContact CB-CG2 4.2Å; M446-T448 HydrophobicContact CG-CG2 3.83Å; M446-T448 PolarHBondContact O-N 3.43Å; M446-T448 HydrophobicContact SD-CG2 3.62Å; M446-Q451 PolarHBondContact O-NE2 2.82Å
447	P	81	Confident	88.7	Confident	15 Å²	15	27.1 Å²	27.1	10%	0.097	14%	0.144	C	C	.	.			trans	-84.8	68.1	-175.8	40.8	-42.4	0	0	0	110.1	I191 I193 Y202	I191-P447 HydrophobicContact CB-CG 4.49Å; I191-P447 HydrophobicContact CD1-CG 3.93Å; I193-P447 HydrophobicContact CG2-CG 3.77Å; Y202-P447 HydrophobicContact CE1-CB 4.29Å; Y202-P447 HydrophobicContact CE1-CG 4.13Å; Y202-P447 HydrophobicContact CE2-CG 4.36Å; Y202-P447 VanDerWaalsContact CE2-O 3.27Å; Y202-P447 WeakPolarHBondContact CE2-O 3.45Å; Y202-P447 WeakPolarHBondContact OH-CB 3.2Å; Y202-P447 PolarHBondContact OH-O 3Å
448	T	83.3	Confident	88.9	Confident	29 Å²	29	27.8 Å²	27.8	18%	0.178	15%	0.147	C	C	.	.			trans	-82	163.1	172	70.8	0	0	0	0	110.3	D304 M446 A450 Q451 S452	D304-T448 HydrophobicContact CB-CG2 4.33Å; M446-T448 HydrophobicContact CB-CG2 4.2Å; M446-T448 HydrophobicContact CG-CG2 3.83Å; M446-T448 PolarHBondContact O-N 3.43Å; M446-T448 HydrophobicContact SD-CG2 3.62Å; T448-A450 PolarHBondContact O-N 2.83Å; T448-Q451 CarbonylContact O-C 3.57Å; T448-Q451 PolarHBondContact O-N 2.83Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.42Å; T448-Q451 PolarHBondContact OG1-N 2.93Å; T448-S452 VanDerWaalsContact O-CB 3.29Å; T448-S452 WeakPolarHBondContact O-CB 3.35Å; T448-S452 PolarHBondContact O-N 3.17Å; T448-S452 PolarHBondContact O-OG 2.58Å
449	L	78.7	Confident	89.1	Confident	84 Å²	84	26 Å²	26	44%	0.44	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-57.8	-36.7	174.9	-66.5	178.4	0	0	0	112.1	P199 Q451 S452	P199-L449 HydrophobicContact CB-CD2 4.11Å; P199-L449 HydrophobicContact CG-CD2 3.74Å; P199-L449 HydrophobicContact CG-CG 3.8Å; L449-Q451 PolarHBondContact O-N 2.92Å; L449-S452 PolarHBondContact O-N 2.85Å
450	A	84.6	Confident	89.2	Confident	74 Å²	74	25 Å²	25	61%	0.612	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-71.8	-15.2	177.7	0	0	0	0	0	113.5	T448 Y455	T448-A450 PolarHBondContact O-N 2.83Å; A450-Y455 WeakPolarHBondContact O-CB 3.46Å
451	Q	89	Confident	89.2	Confident	12 Å²	12	25.7 Å²	25.7	6%	0.056	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-120.3	23.8	177.8	-56.8	-164.5	146	0	0	113	L303 D304 M446 T448 L449 R456	L303-Q451 VanDerWaalsContact CD2-OE1 3.3Å; D304-Q451 PolarHBondContact O-NE2 2.93Å; M446-Q451 PolarHBondContact O-NE2 2.82Å; T448-Q451 CarbonylContact O-C 3.57Å; T448-Q451 PolarHBondContact O-N 2.83Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.42Å; T448-Q451 PolarHBondContact OG1-N 2.93Å; L449-Q451 PolarHBondContact O-N 2.92Å; Q451-R456 VanDerWaalsContact O-CB 3.32Å; Q451-R456 WeakPolarHBondContact O-CB 3.34Å; Q451-R456 WeakPolarHBondContact O-CD 3.3Å; Q451-R456 WeakPolarHBondContact O-CG 3.2Å; Q451-R456 PolarHBondContact O-NH1 2.71Å
452	S	86.1	Confident	89.2	Confident	15 Å²	15	30 Å²	30	11%	0.105	16%	0.157	C	C	.	.	S	Bend	trans	-116	163.6	178.7	-68.3	0	0	0	0	111.9	T448 L449 Y454 Y455	T448-S452 VanDerWaalsContact O-CB 3.29Å; T448-S452 WeakPolarHBondContact O-CB 3.35Å; T448-S452 PolarHBondContact O-N 3.17Å; T448-S452 PolarHBondContact O-OG 2.58Å; L449-S452 PolarHBondContact O-N 2.85Å; S452-Y454 PolarHBondContact O-N 2.82Å; S452-Y455 PolarHBondContact O-N 2.73Å
453	N	87.6	Confident	89.4	Confident	33 Å²	33	30.9 Å²	30.9	18%	0.176	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	48.7	-125.8	176.9	-59.6	-35.2	0	0	0	112.7	Y143 F149 Y455 R456 Q458	Y143-N453 HydrophobicContact CE2-CB 3.94Å; F149-N453 HydrophobicContact CD2-CB 4.07Å; F149-N453 HydrophobicContact CE2-CB 3.52Å; F149-N453 HydrophobicContact CZ-CB 4.18Å; N453-Y455 PolarHBondContact O-N 2.77Å; N453-R456 PolarHBondContact O-N 2.95Å; N453-Q458 PolarHBondContact O-NE2 2.75Å
454	Y	88.3	Confident	89.9	Confident	35 Å²	35	29.4 Å²	29.4	14%	0.137	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.3	-179.2	-179.9	-97.8	0	0	0	114.4	P146 F149 S452 Q458 R462	P146-Y454 HydrophobicContact CB-CE2 4.37Å; P146-Y454 HydrophobicContact CG-CE2 4.38Å; P146-Y454 WeakPolarHBondContact CG-OH 3.49Å; F149-Y454 HydrophobicContact CB-CD2 4.14Å; F149-Y454 HydrophobicContact CB-CG 4.14Å; F149-Y454 HydrophobicContact CG-CG 4.41Å; S452-Y454 PolarHBondContact O-N 2.82Å; Y454-Q458 PolarHBondContact O-NE2 3.35Å; Y454-R462 VanDerWaalsContact CD2-NH2 3.26Å; Y454-R462 VanDerWaalsContact CZ-NH1 3.34Å; Y454-R462 PolarHBondContact OH-NH1 3.24Å; Y454-R462 VanDerWaalsContact OH-NH1 3.11Å
455	Y	90.2	Very high	90.3	Very high	105 Å²	105	34.9 Å²	34.9	41%	0.412	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-84.3	-25.1	-174	-61.7	-68.9	0	0	0	113.5	Y150 K294 Y295 A450 S452 N453	Y150-Y455 PolarHBondContact OH-OH 3.3Å; K294-Y455 PolarHBondContact NZ-O 3.12Å; Y295-Y455 PolarHBondContact OH-O 3.21Å; A450-Y455 WeakPolarHBondContact O-CB 3.46Å; S452-Y455 PolarHBondContact O-N 2.73Å; N453-Y455 PolarHBondContact O-N 2.77Å
456	R	92.7	Very high	90.6	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.18	C	C	.	.	S	Bend	trans	-63.6	157	172.8	-159.1	164.6	-173.1	90.1	-7	111.4	Y295 L445 Q451 N453 Q458 A472 T474	Y295-R456 PolarHBondContact OH-O 3.43Å; L445-R456 PolarHBondContact O-NH1 3.47Å; L445-R456 PolarHBondContact O-NH2 2.95Å; Q451-R456 VanDerWaalsContact O-CB 3.32Å; Q451-R456 WeakPolarHBondContact O-CB 3.34Å; Q451-R456 WeakPolarHBondContact O-CD 3.3Å; Q451-R456 WeakPolarHBondContact O-CG 3.2Å; Q451-R456 PolarHBondContact O-NH1 2.71Å; N453-R456 PolarHBondContact O-N 2.95Å; R456-Q458 PolarHBondContact O-N 3.26Å; R456-Q458 PolarHBondContact O-NE2 3.11Å; R456-A472 PolarHBondContact NH2-O 2.98Å; R456-T474 PolarHBondContact NE-O 3.33Å; R456-T474 VanDerWaalsContact NE-O 3.16Å
457	P	94.3	Very high	91.1	Very high	3 Å²	3	34 Å²	34	2%	0.019	17%	0.173	C	C	.	.			trans	-49	139.2	162.8	-29.7	36.6	0	0	0	111.8	F278 Y295 L445 S473 T474 H475	F278-P457 HydrophobicContact CB-CB 4.46Å; F278-P457 HydrophobicContact CD1-CB 3.53Å; F278-P457 HydrophobicContact CD1-CG 3.34Å; F278-P457 HydrophobicContact CD2-CB 3.79Å; F278-P457 HydrophobicContact CE1-CB 3.59Å; F278-P457 HydrophobicContact CE1-CG 3.46Å; F278-P457 VanDerWaalsContact CE1-CG 3.46Å; F278-P457 HydrophobicContact CE2-CB 3.84Å; F278-P457 HydrophobicContact CG-CB 3.64Å; F278-P457 HydrophobicContact CG-CG 3.93Å; F278-P457 HydrophobicContact CZ-CB 3.74Å; F278-P457 HydrophobicContact CZ-CG 4.12Å; Y295-P457 HydrophobicContact CE1-CG 4.08Å; Y295-P457 HydrophobicContact CE2-CB 4.33Å; Y295-P457 HydrophobicContact CE2-CG 4.17Å; Y295-P457 WeakPolarHBondContact OH-CA 3.38Å; Y295-P457 VanDerWaalsContact OH-N 3.12Å; L445-P457 HydrophobicContact CD1-CG 4.08Å; P457-S473 WeakPolarHBondContact CG-O 3.4Å; P457-T474 WeakPolarHBondContact O-CG2 3.3Å; P457-H475 PolarHBondContact O-N 3.1Å
458	Q	95	Very high	91.9	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.061	17%	0.169	C	C	.	.			trans	-107.3	153.3	-168	-65.7	-61.6	-52.9	0	0	112.3	Y143 N453 Y454 R456 V460	Y143-Q458 PolarHBondContact O-OE1 2.8Å; N453-Q458 PolarHBondContact O-NE2 2.75Å; Y454-Q458 PolarHBondContact O-NE2 3.35Å; R456-Q458 PolarHBondContact O-N 3.26Å; R456-Q458 PolarHBondContact O-NE2 3.11Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.49Å
459	N	96.7	Very high	92.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-67	-33.4	-174.9	-56.4	86.7	0	0	0	114.3	T142 Y468 F469 H475 S486 T490	T142-N459 HydrophobicContact CG2-CB 4.05Å; N459-Y468 CarbonylContact O-C 3.37Å; N459-Y468 VanDerWaalsContact O-CA 3.24Å; N459-Y468 WeakPolarHBondContact O-CA 3.45Å; N459-Y468 WeakPolarHBondContact O-CB 3.16Å; N459-F469 WeakPolarHBondContact CA-O 3.49Å; N459-F469 PolarHBondContact O-N 3.22Å; N459-H475 PolarHBondContact ND2-O 2.61Å; N459-H475 WeakPolarHBondContact OD1-CB 3.36Å; N459-H475 PolarHBondContact OD1-CD2 3.05Å; N459-H475 PolarHBondContact OD1-O 3.39Å; N459-S486 PolarHBondContact ND2-OG 3.38Å; N459-T490 HydrophobicContact CB-CG2 4.09Å; N459-T490 WeakPolarHBondContact CB-OG1 3.38Å; N459-T490 PolarHBondContact ND2-OG1 3.13Å
460	V	96.3	Very high	93.5	Very high	14 Å²	14	28.3 Å²	28.3	9%	0.085	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-104.3	125.1	174.8	-176.3	0	0	0	0	107.5	T142 Q458 R462 Y468 E493	T142-V460 HydrophobicContact CG2-CG2 4.1Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.49Å; V460-R462 PolarHBondContact O-N 3.39Å; V460-Y468 HydrophobicContact CB-CD1 4.4Å; V460-Y468 HydrophobicContact CG1-CD1 4.34Å; V460-Y468 HydrophobicContact CG1-CE1 4.1Å; V460-Y468 HydrophobicContact CG2-CD1 4Å; V460-Y468 HydrophobicContact CG2-CE1 4.07Å; V460-E493 HydrophobicContact CG2-CB 3.73Å; V460-E493 HydrophobicContact CG2-CG 4.27Å
461	S	95.5	Very high	94	Very high	15 Å²	15	24.9 Å²	24.9	11%	0.105	11%	0.113	C	C	.	.			trans	-59	131.4	176.4	179.7	0	0	0	0	110.3	D463 Y464 L467	S461-D463 PolarHBondContact OG-N 3.14Å; S461-Y464 VanDerWaalsContact CB-O 3.27Å; S461-Y464 WeakPolarHBondContact CB-O 3.35Å; S461-Y464 PolarHBondContact OG-N 3.27Å; S461-Y464 VanDerWaalsContact OG-N 3.15Å; S461-Y464 PolarHBondContact OG-O 2.6Å; S461-L467 WeakPolarHBondContact CB-O 3.49Å; S461-L467 PolarHBondContact N-O 3.47Å
462	R	92.7	Very high	94.1	Very high	90 Å²	90	25.2 Å²	25.2	34%	0.34	12%	0.117	S	C	.	.	S	Bend	trans	-84.8	-20.1	176.5	-65.7	-178.9	178.5	169	2.5	112.4	Y143 R144 Y454 V460	Y143-R462 PolarHBondContact O-NH2 2.85Å; R144-R462 PolarHBondContact O-NE 3.41Å; Y454-R462 VanDerWaalsContact CD2-NH2 3.26Å; Y454-R462 VanDerWaalsContact CZ-NH1 3.34Å; Y454-R462 PolarHBondContact OH-NH1 3.24Å; Y454-R462 VanDerWaalsContact OH-NH1 3.11Å; V460-R462 PolarHBondContact O-N 3.39Å
463	D	93.9	Very high	94.4	Very high	33 Å²	33	24.5 Å²	24.5	18%	0.176	11%	0.113	C	C	.	.	S	Bend	trans	-98.1	-32	-174.1	-71.2	-50.1	0	0	0	112.7	K293 S461	K293-D463 VanDerWaalsContact CD-OD1 3.32Å; K293-D463 WeakPolarHBondContact CD-OD1 3.44Å; K293-D463 WeakPolarHBondContact CG-OD1 3.44Å; K293-D463 PolarHBondContact N-OD2 3.5Å; K293-D463 IonicContact NZ-OD1 3.88Å; S461-D463 PolarHBondContact OG-N 3.14Å
464	Y	95.9	Very high	94.7	Very high	13 Å²	13	23 Å²	23	5%	0.051	11%	0.105	C	C	.	.	S	Bend	trans	-131	126.6	-171.9	-53.1	-62.6	0	0	0	110.9	I250 K255 M286 A290 P291 S461 L467	I250-Y464 HydrophobicContact CD1-CD1 4.23Å; I250-Y464 HydrophobicContact CD1-CD2 4.22Å; I250-Y464 HydrophobicContact CD1-CG 3.92Å; I250-Y464 HydrophobicContact CG1-CD1 4.35Å; I250-Y464 HydrophobicContact CG1-CG 4.42Å; I250-Y464 HydrophobicContact CG2-CD1 3.51Å; I250-Y464 HydrophobicContact CG2-CE1 3.7Å; I250-Y464 HydrophobicContact CG2-CG 4.3Å; K255-Y464 HydrophobicContact CB-CD1 4.41Å; K255-Y464 CarbonylContact O-C 3.55Å; K255-Y464 VanDerWaalsContact O-CA 3.31Å; K255-Y464 WeakPolarHBondContact O-CA 3.36Å; M286-Y464 HydrophobicContact CE-CD2 3.69Å; M286-Y464 HydrophobicContact CE-CE2 3.48Å; M286-Y464 VanDerWaalsContact CE-CE2 3.48Å; A290-Y464 WeakPolarHBondContact CA-OH 3.32Å; A290-Y464 HydrophobicContact CB-CE1 3.83Å; A290-Y464 WeakPolarHBondContact CB-OH 3.13Å; A290-Y464 PolarHBondContact O-OH 3.35Å; P291-Y464 PolarHBondContact O-OH 3.32Å; S461-Y464 VanDerWaalsContact CB-O 3.27Å; S461-Y464 WeakPolarHBondContact CB-O 3.35Å; S461-Y464 PolarHBondContact OG-N 3.27Å; S461-Y464 VanDerWaalsContact OG-N 3.15Å; S461-Y464 PolarHBondContact OG-O 2.6Å; Y464-L467 HydrophobicContact CD2-CD2 4.06Å
465	K	95.6	Very high	95	Very high	116 Å²	116	21.4 Å²	21.4	50%	0.504	10%	0.098	S	C	.	.	B	Isolated β-bridge	trans	-64.4	157.4	169.7	-61.7	-176.7	177.9	-173.7	0	110	K255 R256 A257 L467	K255-K465 PolarHBondContact O-N 2.99Å; R256-K465 VanDerWaalsContact CA-O 3.24Å; R256-K465 WeakPolarHBondContact CA-O 3.45Å; R256-K465 HydrophobicContact CB-CB 3.93Å; A257-K465 PolarHBondContact N-O 3.07Å; K465-L467 PolarHBondContact O-N 3.39Å
466	D	96.9	Very high	95	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.064	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	7.2	173.1	-50.8	-53	0	0	0	114.4	R256 K271 I272	R256-D466 IonicContact CZ-OD2 3.23Å; R256-D466 VanDerWaalsContact CZ-OD2 3.23Å; R256-D466 IonicContact NE-OD2 2.9Å; R256-D466 PolarHBondContact NE-OD2 3.49Å; R256-D466 IonicContact NH2-OD2 3.01Å; R256-D466 PolarHBondContact NH2-OD2 3.44Å; K271-D466 WeakPolarHBondContact CA-O 3.22Å; K271-D466 HydrophobicContact CG-CB 4.18Å; K271-D466 IonicContact NZ-OD1 3.15Å; K271-D466 PolarHBondContact NZ-OD1 3.04Å; I272-D466 PolarHBondContact N-O 3Å
467	L	97.8	Very high	94.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.4	176.1	-177.3	59.6	0	0	0	110.9	I248 I250 A257 I272 M286 S461 Y464 K465 F469	I248-L467 HydrophobicContact CD1-CD1 4.02Å; I248-L467 HydrophobicContact CG2-CD1 4.29Å; I250-L467 HydrophobicContact CD1-CD2 4.44Å; A257-L467 HydrophobicContact CB-CB 3.88Å; A257-L467 HydrophobicContact CB-CD1 4.45Å; I272-L467 HydrophobicContact CB-CD1 4.2Å; I272-L467 HydrophobicContact CG2-CD1 4.14Å; I272-L467 WeakPolarHBondContact O-CA 3.31Å; M286-L467 HydrophobicContact CE-CD2 4.18Å; M286-L467 HydrophobicContact SD-CD2 4.23Å; S461-L467 WeakPolarHBondContact CB-O 3.49Å; S461-L467 PolarHBondContact N-O 3.47Å; Y464-L467 HydrophobicContact CD2-CD2 4.06Å; K465-L467 PolarHBondContact O-N 3.39Å; L467-F469 HydrophobicContact CD1-CE1 4.44Å; L467-F469 HydrophobicContact CD1-CZ 4.36Å; L467-F469 HydrophobicContact CD2-CE1 4.39Å; L467-F469 HydrophobicContact CD2-CE2 4.21Å; L467-F469 HydrophobicContact CD2-CZ 3.63Å; L467-F469 HydrophobicContact CG-CE1 4.38Å; L467-F469 HydrophobicContact CG-CE2 4.15Å; L467-F469 HydrophobicContact CG-CZ 3.82Å
468	Y	98.3	Very high	94.6	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.6	-177.3	-56.3	-97.8	0	0	0	109.8	K271 I272 C274 N459 V460 T490 M494 D497	K271-Y468 HydrophobicContact CB-CE2 4.24Å; K271-Y468 HydrophobicContact CD-CE2 3.96Å; K271-Y468 HydrophobicContact CG-CE2 4.32Å; I272-Y468 PolarHBondContact O-N 2.91Å; C274-Y468 PolarHBondContact N-O 3.03Å; N459-Y468 CarbonylContact O-C 3.37Å; N459-Y468 VanDerWaalsContact O-CA 3.24Å; N459-Y468 WeakPolarHBondContact O-CA 3.45Å; N459-Y468 WeakPolarHBondContact O-CB 3.16Å; V460-Y468 HydrophobicContact CB-CD1 4.4Å; V460-Y468 HydrophobicContact CG1-CD1 4.34Å; V460-Y468 HydrophobicContact CG1-CE1 4.1Å; V460-Y468 HydrophobicContact CG2-CD1 4Å; V460-Y468 HydrophobicContact CG2-CE1 4.07Å; Y468-T490 HydrophobicContact CD1-CG2 4.39Å; Y468-M494 HydrophobicContact CD1-CB 4.22Å; Y468-M494 HydrophobicContact CD1-CE 4.15Å; Y468-M494 HydrophobicContact CD2-CE 3.29Å; Y468-M494 HydrophobicContact CD2-CG 4.28Å; Y468-M494 HydrophobicContact CD2-SD 4.45Å; Y468-M494 HydrophobicContact CE1-CB 3.93Å; Y468-M494 HydrophobicContact CE1-CG 4.21Å; Y468-M494 HydrophobicContact CE2-CB 4.47Å; Y468-M494 HydrophobicContact CE2-CE 3.84Å; Y468-M494 HydrophobicContact CE2-CG 3.87Å; Y468-M494 HydrophobicContact CE2-SD 4.47Å; Y468-M494 HydrophobicContact CG-CE 3.48Å; Y468-M494 VanDerWaalsContact CG-CE 3.48Å; Y468-D497 WeakPolarHBondContact CE1-OD2 3.35Å; Y468-D497 VanDerWaalsContact OH-CB 3.3Å; Y468-D497 WeakPolarHBondContact OH-CB 3.27Å; Y468-D497 PolarHBondContact OH-OD2 2.89Å
469	F	98	Very high	94.3	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.026	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.7	178.3	-57.2	-76.2	0	0	0	110	C274 F278 V281 I292 N459 L467 T474 T490	C274-F469 HydrophobicContact CB-CD1 3.94Å; C274-F469 HydrophobicContact CB-CE1 4.2Å; C274-F469 CarbonylContact O-C 3.57Å; C274-F469 VanDerWaalsContact O-CA 3.29Å; C274-F469 WeakPolarHBondContact O-CA 3.41Å; F278-F469 HydrophobicContact CD2-CB 4.28Å; F278-F469 AromaticContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD2 4.35Å; F278-F469 HydrophobicContact CD2-CE1 4.28Å; F278-F469 AromaticContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CE2-CD1 4.1Å; F278-F469 AromaticContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CE1 4.19Å; F278-F469 HydrophobicContact CE2-CE2 4.04Å; F278-F469 AromaticContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CZ 4.15Å; V281-F469 HydrophobicContact CG1-CE1 3.9Å; I292-F469 HydrophobicContact CD1-CE1 4.22Å; I292-F469 HydrophobicContact CD1-CE2 4.26Å; I292-F469 HydrophobicContact CD1-CZ 3.63Å; N459-F469 WeakPolarHBondContact CA-O 3.49Å; N459-F469 PolarHBondContact O-N 3.22Å; L467-F469 HydrophobicContact CD1-CE1 4.44Å; L467-F469 HydrophobicContact CD1-CZ 4.36Å; L467-F469 HydrophobicContact CD2-CE1 4.39Å; L467-F469 HydrophobicContact CD2-CE2 4.21Å; L467-F469 HydrophobicContact CD2-CZ 3.63Å; L467-F469 HydrophobicContact CG-CE1 4.38Å; L467-F469 HydrophobicContact CG-CE2 4.15Å; L467-F469 HydrophobicContact CG-CZ 3.82Å; F469-T474 HydrophobicContact CB-CG2 3.99Å; F469-T490 PolarHBondContact O-OG1 3.29Å
470	A	97.7	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.			trans	-151.2	162	170.3	0	0	0	0	0	109.9	T11 L273 C274 T275 T490	T11-A470 HydrophobicContact CG2-CB 3.43Å; T11-A470 VanDerWaalsContact CG2-CB 3.43Å; L273-A470 HydrophobicContact CD1-CB 4.22Å; C274-A470 PolarHBondContact O-N 3.03Å; T275-A470 WeakPolarHBondContact CA-O 3.38Å; T275-A470 HydrophobicContact CG2-CB 4.25Å; A470-T490 HydrophobicContact CB-CG2 4.43Å
471	G	94.5	Very high	94	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	11%	0.111	C	C	.	.	S	Bend	trans	118.2	-168.9	174.1	0	0	0	0	0	113.5	S473 T474 S486	G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 3.32Å; G471-T474 PolarHBondContact O-N 3.08Å; G471-S486 PolarHBondContact N-OG 3.48Å
472	A	91.5	Very high	93.8	Very high	18 Å²	18	21 Å²	21	15%	0.149	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.9	-165.1	0	0	0	0	0	114.3	R456 G477 A478 V483	R456-A472 PolarHBondContact NH2-O 2.98Å; A472-G477 WeakPolarHBondContact CA-O 3.3Å; A472-G477 CarbonylContact O-C 3.56Å; A472-G477 VanDerWaalsContact O-C 3.22Å; A472-A478 HydrophobicContact CB-CB 4.18Å; A472-A478 PolarHBondContact O-N 3Å; A472-V483 HydrophobicContact CB-CG1 4.02Å
473	S	92.4	Very high	94	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.3	-179.5	-63	0	0	0	0	113.6	D277 L445 P457 G471	D277-S473 WeakPolarHBondContact OD1-CB 3.43Å; D277-S473 PolarHBondContact OD1-OG 3.3Å; L445-S473 WeakPolarHBondContact CD1-O 3.36Å; P457-S473 WeakPolarHBondContact CG-O 3.4Å; G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 3.32Å
474	T	93.9	Very high	94.1	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.012	10%	0.096	C	C	.	.	S	Bend	trans	-110.8	164.1	175.3	-57.8	0	0	0	0	109.3	R456 P457 F469 G471 P476 G477	R456-T474 PolarHBondContact NE-O 3.33Å; R456-T474 VanDerWaalsContact NE-O 3.16Å; P457-T474 WeakPolarHBondContact O-CG2 3.3Å; F469-T474 HydrophobicContact CB-CG2 3.99Å; G471-T474 PolarHBondContact O-N 3.08Å; T474-P476 CarbonylContact O-C 3.57Å; T474-G477 PolarHBondContact O-N 3.37Å
475	H	94.4	Very high	94.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-55.3	134.8	171.5	-178.4	78.4	0	0	0	111.2	F138 L139 R141 Y143 P457 N459 S486	F138-H475 PolarHBondContact O-CE1 2.78Å; F138-H475 VanDerWaalsContact O-CE1 3.31Å; F138-H475 PolarHBondContact O-NE2 3.04Å; L139-H475 PolarHBondContact O-NE2 3.09Å; R141-H475 PolarHBondContact O-CD2 2.92Å; R141-H475 PolarHBondContact O-NE2 3.11Å; Y143-H475 AromaticContact CE2-CE1 3.65Å; Y143-H475 AromaticContact CE2-NE2 3.99Å; P457-H475 PolarHBondContact O-N 3.1Å; N459-H475 PolarHBondContact ND2-O 2.61Å; N459-H475 WeakPolarHBondContact OD1-CB 3.36Å; N459-H475 PolarHBondContact OD1-CD2 3.05Å; N459-H475 PolarHBondContact OD1-O 3.39Å; H475-S486 PolarHBondContact O-OG 3.18Å
476	P	91.8	Very high	94.2	Very high	11 Å²	11	10.3 Å²	10.3	7%	0.071	7%	0.074	C	C	.	.	S	Bend	cis	-84.4	-25.5	7.5	4.1	13.1	0	0	0	115.4	L139 T474 I482 T485 I489	L139-P476 HydrophobicContact CB-CB 4.28Å; L139-P476 HydrophobicContact CD2-CB 3.86Å; L139-P476 WeakPolarHBondContact O-CG 3.48Å; T474-P476 CarbonylContact O-C 3.57Å; P476-I482 HydrophobicContact CB-CG2 3.71Å; P476-I482 HydrophobicContact CG-CG2 3.72Å; P476-T485 HydrophobicContact CG-CG2 4.11Å; P476-I489 HydrophobicContact CG-CD1 4.23Å
477	G	89.8	Confident	94.2	Very high	6 Å²	6	9.8 Å²	9.8	6%	0.062	7%	0.071	C	C	.	.			trans	156.5	-159.5	-175.6	0	0	0	0	0	114	A472 T474 I482 V483	A472-G477 WeakPolarHBondContact CA-O 3.3Å; A472-G477 CarbonylContact O-C 3.56Å; A472-G477 VanDerWaalsContact O-C 3.22Å; T474-G477 PolarHBondContact O-N 3.37Å; G477-I482 VanDerWaalsContact C-CG2 3.48Å; G477-I482 VanDerWaalsContact N-CG2 3.33Å; G477-I482 WeakPolarHBondContact O-CG2 3.34Å; G477-V483 WeakPolarHBondContact O-CG1 3.37Å
478	A	87.6	Confident	94.2	Very high	19 Å²	19	12.6 Å²	12.6	16%	0.157	8%	0.083	C	C	.	.	S	Bend	trans	-92.7	166.7	-179.5	0	0	0	0	0	112.8	F443 A472 I482	F443-A478 WeakPolarHBondContact O-CB 3.24Å; A472-A478 HydrophobicContact CB-CB 4.18Å; A472-A478 PolarHBondContact O-N 3Å; A478-I482 WeakPolarHBondContact O-CB 3.4Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å
479	G	89	Confident	94.1	Very high	40 Å²	40	12.8 Å²	12.8	41%	0.412	8%	0.084	S	C	.	.	S	Bend	trans	98.8	141.8	-174.8	0	0	0	0	0	112.1	I482 V483	G479-I482 PolarHBondContact O-N 3.12Å; G479-V483 WeakPolarHBondContact O-CG1 3.21Å; G479-V483 PolarHBondContact O-N 3Å
480	V	93	Very high	94.1	Very high	16 Å²	16	12.5 Å²	12.5	10%	0.097	8%	0.083	C	C	.	.	H	α-helix	trans	-57.5	-48.5	-170.7	178.7	0	0	0	0	113.1	M39 P53 Y62 M221 I482 V483 L484	M39-V480 HydrophobicContact CE-CG1 3.75Å; M39-V480 HydrophobicContact CE-CG2 3.92Å; P53-V480 HydrophobicContact CB-CG2 3.66Å; P53-V480 HydrophobicContact CG-CG2 3.76Å; Y62-V480 HydrophobicContact CE1-CG1 3.58Å; Y62-V480 HydrophobicContact CE2-CG1 4.37Å; Y62-V480 VanDerWaalsContact CZ-CG1 3.46Å; Y62-V480 WeakPolarHBondContact OH-CB 3.31Å; Y62-V480 VanDerWaalsContact OH-CG1 3.23Å; Y62-V480 WeakPolarHBondContact OH-CG1 2.98Å; M221-V480 HydrophobicContact CE-CB 4.23Å; M221-V480 HydrophobicContact CE-CG1 4.32Å; M221-V480 HydrophobicContact CE-CG2 3.71Å; V480-I482 VanDerWaalsContact C-N 3.28Å; V480-I482 PolarHBondContact O-N 2.59Å; V480-V483 WeakPolarHBondContact O-CG2 3.27Å; V480-V483 PolarHBondContact O-N 2.83Å; V480-L484 HydrophobicContact CG1-CD1 4.13Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.46Å; V480-L484 PolarHBondContact O-N 3.15Å; V480-L484 VanDerWaalsContact O-N 3.08Å
481	P	92.8	Very high	94.1	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-42.3	174.7	-24.4	33	0	0	0	112.6	M58 V61 Y62 L484 T485	M58-P481 HydrophobicContact CB-CB 4.19Å; M58-P481 HydrophobicContact CB-CG 4.13Å; M58-P481 HydrophobicContact CG-CB 4.36Å; M58-P481 HydrophobicContact CG-CG 4.3Å; M58-P481 HydrophobicContact SD-CB 3.64Å; M58-P481 HydrophobicContact SD-CG 4.09Å; V61-P481 HydrophobicContact CB-CB 4.37Å; V61-P481 HydrophobicContact CG1-CB 4.25Å; V61-P481 WeakPolarHBondContact CG1-O 3.44Å; V61-P481 HydrophobicContact CG2-CB 4.41Å; Y62-P481 HydrophobicContact CE2-CG 4.11Å; P481-L484 PolarHBondContact O-N 3.28Å; P481-T485 PolarHBondContact O-N 3.17Å; P481-T485 PolarHBondContact O-OG1 3.26Å; P481-T485 VanDerWaalsContact O-OG1 3.08Å
482	I	93	Very high	94.2	Very high	41 Å²	41	16 Å²	16	21%	0.21	10%	0.101	C	C	.	.	H	α-helix	trans	-69.2	-38.8	-176	-56.1	-57.3	0	0	0	111.8	P476 G477 A478 G479 V480 L484 T485 S486	P476-I482 HydrophobicContact CB-CG2 3.71Å; P476-I482 HydrophobicContact CG-CG2 3.72Å; G477-I482 VanDerWaalsContact C-CG2 3.48Å; G477-I482 VanDerWaalsContact N-CG2 3.33Å; G477-I482 WeakPolarHBondContact O-CG2 3.34Å; A478-I482 WeakPolarHBondContact O-CB 3.4Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å; G479-I482 PolarHBondContact O-N 3.12Å; V480-I482 VanDerWaalsContact C-N 3.28Å; V480-I482 PolarHBondContact O-N 2.59Å; I482-L484 VanDerWaalsContact C-N 3.35Å; I482-T485 CarbonylContact O-C 3.48Å; I482-T485 WeakPolarHBondContact O-CB 3.31Å; I482-T485 PolarHBondContact O-N 2.83Å; I482-S486 PolarHBondContact O-N 2.64Å
483	V	95.2	Very high	94.5	Very high	11 Å²	11	16.4 Å²	16.4	7%	0.067	10%	0.1	C	C	.	.	H	α-helix	trans	-75.7	-24.8	178	-55.9	0	0	0	0	112.6	V10 T11 A472 G477 G479 V480 S486 A487	V10-V483 HydrophobicContact CG2-CG2 3.88Å; T11-V483 VanDerWaalsContact OG1-CB 3.29Å; T11-V483 WeakPolarHBondContact OG1-CB 3.5Å; T11-V483 PolarHBondContact OG1-O 2.87Å; A472-V483 HydrophobicContact CB-CG1 4.02Å; G477-V483 WeakPolarHBondContact O-CG1 3.37Å; G479-V483 WeakPolarHBondContact O-CG1 3.21Å; G479-V483 PolarHBondContact O-N 3Å; V480-V483 WeakPolarHBondContact O-CG2 3.27Å; V480-V483 PolarHBondContact O-N 2.83Å; V483-S486 WeakPolarHBondContact O-CB 3.31Å; V483-S486 PolarHBondContact O-N 2.92Å; V483-A487 PolarHBondContact O-N 3.09Å; V483-A487 VanDerWaalsContact O-N 3.08Å
484	L	97.2	Very high	94.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-71.1	-40	167.2	-68.7	176.9	0	0	0	111.2	V10 A14 V61 Y62 V65 M224 V480 P481 I482 S486 A487 K488	V10-L484 HydrophobicContact CB-CD2 4.29Å; A14-L484 HydrophobicContact CB-CD2 3.68Å; V61-L484 HydrophobicContact CG1-CB 3.75Å; V61-L484 HydrophobicContact CG1-CD1 4.13Å; Y62-L484 HydrophobicContact CD1-CD1 4.29Å; Y62-L484 HydrophobicContact CD2-CD1 4.47Å; Y62-L484 HydrophobicContact CG-CD1 4.25Å; V65-L484 HydrophobicContact CG2-CD2 4.09Å; M224-L484 HydrophobicContact CE-CD1 4.18Å; V480-L484 HydrophobicContact CG1-CD1 4.13Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.46Å; V480-L484 PolarHBondContact O-N 3.15Å; V480-L484 VanDerWaalsContact O-N 3.08Å; P481-L484 PolarHBondContact O-N 3.28Å; I482-L484 VanDerWaalsContact C-N 3.35Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.68Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.41Å; L484-K488 PolarHBondContact O-N 2.9Å
485	T	95.3	Very high	94.9	Very high	16 Å²	16	17.3 Å²	17.3	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-39.9	169.1	-57.9	0	0	0	0	111.2	E140 P476 P481 I482 A487 K488 I489	E140-T485 HydrophobicContact CG-CG2 4.11Å; P476-T485 HydrophobicContact CG-CG2 4.11Å; P481-T485 PolarHBondContact O-N 3.17Å; P481-T485 PolarHBondContact O-OG1 3.26Å; P481-T485 VanDerWaalsContact O-OG1 3.08Å; I482-T485 CarbonylContact O-C 3.48Å; I482-T485 WeakPolarHBondContact O-CB 3.31Å; I482-T485 PolarHBondContact O-N 2.83Å; T485-A487 VanDerWaalsContact C-N 3.33Å; T485-A487 PolarHBondContact O-N 3.29Å; T485-K488 WeakPolarHBondContact O-CB 3.43Å; T485-K488 PolarHBondContact O-N 3.25Å; T485-K488 VanDerWaalsContact O-N 3.15Å; T485-I489 HydrophobicContact CG2-CG2 4.2Å; T485-I489 WeakPolarHBondContact O-CG1 3.49Å; T485-I489 PolarHBondContact O-N 3.2Å
486	S	97.1	Very high	95	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-45.1	174	-166.7	0	0	0	0	111.2	N459 G471 H475 I482 V483 L484 T490	N459-S486 PolarHBondContact ND2-OG 3.38Å; G471-S486 PolarHBondContact N-OG 3.48Å; H475-S486 PolarHBondContact O-OG 3.18Å; I482-S486 PolarHBondContact O-N 2.64Å; V483-S486 WeakPolarHBondContact O-CB 3.31Å; V483-S486 PolarHBondContact O-N 2.92Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.68Å; S486-T490 VanDerWaalsContact O-CB 3.29Å; S486-T490 WeakPolarHBondContact O-CB 3.3Å; S486-T490 PolarHBondContact O-N 3.41Å; S486-T490 VanDerWaalsContact O-N 3.13Å; S486-T490 PolarHBondContact O-OG1 3.48Å
487	A	98.1	Very high	95.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-50.6	173.2	0	0	0	0	0	111.5	T11 A14 A15 V483 L484 T485 T490 V491	T11-A487 HydrophobicContact CG2-CB 3.98Å; T11-A487 WeakPolarHBondContact O-CB 3.31Å; A14-A487 HydrophobicContact CB-CB 4.06Å; A15-A487 HydrophobicContact CB-CB 3.99Å; V483-A487 PolarHBondContact O-N 3.09Å; V483-A487 VanDerWaalsContact O-N 3.08Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.41Å; T485-A487 VanDerWaalsContact C-N 3.33Å; T485-A487 PolarHBondContact O-N 3.29Å; A487-T490 PolarHBondContact O-N 3.4Å; A487-V491 VanDerWaalsContact O-CG2 3.31Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 2.96Å
488	K	97.5	Very high	95.4	Very high	60 Å²	60	21.5 Å²	21.5	26%	0.261	12%	0.121	S	C	.	.	H	α-helix	trans	-54.7	-58.3	179.9	179.1	178	-174.1	157.5	0	112.7	D64 L484 T485 T490 V491 D492	D64-K488 IonicContact OD1-NZ 2.73Å; D64-K488 PolarHBondContact OD1-NZ 3.46Å; D64-K488 IonicContact OD2-NZ 2.66Å; D64-K488 PolarHBondContact OD2-NZ 2.85Å; L484-K488 PolarHBondContact O-N 2.9Å; T485-K488 WeakPolarHBondContact O-CB 3.43Å; T485-K488 PolarHBondContact O-N 3.25Å; T485-K488 VanDerWaalsContact O-N 3.15Å; K488-T490 PolarHBondContact O-N 3.06Å; K488-V491 PolarHBondContact O-N 2.92Å; K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 2.88Å
489	I	96.5	Very high	95.8	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-28.1	-175.5	67.9	-176.3	0	0	0	112.6	T142 P476 T485 E493	T142-I489 PolarHBondContact OG1-O 3.49Å; P476-I489 HydrophobicContact CG-CD1 4.23Å; T485-I489 HydrophobicContact CG2-CG2 4.2Å; T485-I489 WeakPolarHBondContact O-CG1 3.49Å; T485-I489 PolarHBondContact O-N 3.2Å; I489-E493 WeakPolarHBondContact O-CG 3.47Å; I489-E493 PolarHBondContact O-N 2.64Å
490	T	98	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-46.7	176	-51.9	0	0	0	0	110.9	L273 N459 Y468 F469 A470 S486 A487 K488 E493 M494	L273-T490 HydrophobicContact CD1-CG2 3.47Å; L273-T490 VanDerWaalsContact CD1-CG2 3.47Å; N459-T490 HydrophobicContact CB-CG2 4.09Å; N459-T490 WeakPolarHBondContact CB-OG1 3.38Å; N459-T490 PolarHBondContact ND2-OG1 3.13Å; Y468-T490 HydrophobicContact CD1-CG2 4.39Å; F469-T490 PolarHBondContact O-OG1 3.29Å; A470-T490 HydrophobicContact CB-CG2 4.43Å; S486-T490 VanDerWaalsContact O-CB 3.29Å; S486-T490 WeakPolarHBondContact O-CB 3.3Å; S486-T490 PolarHBondContact O-N 3.41Å; S486-T490 VanDerWaalsContact O-N 3.13Å; S486-T490 PolarHBondContact O-OG1 3.48Å; A487-T490 PolarHBondContact O-N 3.4Å; K488-T490 PolarHBondContact O-N 3.06Å; T490-E493 PolarHBondContact O-N 2.81Å; T490-M494 WeakPolarHBondContact O-CB 3.5Å; T490-M494 PolarHBondContact O-N 2.95Å
491	V	98	Very high	95.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-43.9	178	174	0	0	0	0	110.5	A15 R18 I19 A487 K488 E493 M494 I495	A15-V491 HydrophobicContact CB-CG2 3.72Å; R18-V491 HydrophobicContact CB-CB 4.42Å; R18-V491 HydrophobicContact CB-CG1 3.92Å; R18-V491 HydrophobicContact CB-CG2 4.33Å; I19-V491 HydrophobicContact CD1-CG2 3.95Å; I19-V491 HydrophobicContact CG1-CB 4.38Å; I19-V491 HydrophobicContact CG1-CG1 3.76Å; I19-V491 HydrophobicContact CG1-CG2 3.73Å; A487-V491 VanDerWaalsContact O-CG2 3.31Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 2.96Å; K488-V491 PolarHBondContact O-N 2.92Å; V491-E493 PolarHBondContact O-N 2.96Å; V491-M494 WeakPolarHBondContact O-CB 3.49Å; V491-M494 PolarHBondContact O-N 3.35Å; V491-I495 HydrophobicContact CG1-CG1 4.01Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 3.38Å
492	D	97	Very high	94.9	Very high	73 Å²	73	39.1 Å²	39.1	39%	0.39	20%	0.202	S	C	.	.	H	α-helix	trans	-56.5	-39.9	177.1	-70.2	-10.5	0	0	0	112.1	K488 K496	K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 2.88Å; D492-K496 VanDerWaalsContact O-CG 3.23Å; D492-K496 WeakPolarHBondContact O-CG 3.42Å; D492-K496 PolarHBondContact O-N 3.06Å; D492-K496 VanDerWaalsContact O-N 3.16Å
493	E	96.5	Very high	95	Very high	25 Å²	25	39 Å²	39	12%	0.117	20%	0.202	C	C	.	.	H	α-helix	trans	-73.6	-35	176.2	-74.4	-61.5	124.5	0	0	113.2	T142 R144 V460 I489 T490 V491 K496 D497	T142-E493 HydrophobicContact CG2-CG 3.89Å; T142-E493 WeakPolarHBondContact OG1-CG 3.38Å; R144-E493 IonicContact CZ-OE2 2.66Å; R144-E493 VanDerWaalsContact CZ-OE2 3.22Å; R144-E493 IonicContact NE-OE2 2.85Å; R144-E493 PolarHBondContact NE-OE2 2.81Å; R144-E493 PolarHBondContact NH2-O 3.3Å; R144-E493 IonicContact NH2-OE2 2.66Å; R144-E493 PolarHBondContact NH2-OE2 3.24Å; V460-E493 HydrophobicContact CG2-CB 3.73Å; V460-E493 HydrophobicContact CG2-CG 4.27Å; I489-E493 WeakPolarHBondContact O-CG 3.47Å; I489-E493 PolarHBondContact O-N 2.64Å; T490-E493 PolarHBondContact O-N 2.81Å; V491-E493 PolarHBondContact O-N 2.96Å; E493-K496 PolarHBondContact O-N 3.02Å; E493-K496 WeakPolarHBondContact OE1-CD 3.29Å; E493-K496 IonicContact OE1-NZ 2.83Å; E493-K496 PolarHBondContact OE1-NZ 3.39Å; E493-D497 PolarHBondContact O-N 3.12Å
494	M	97.3	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-47.4	174.2	-172.4	-177.7	-64.9	0	0	111.1	I3 I19 K271 L273 Y468 T490 V491 K496 D497 I498	I3-M494 HydrophobicContact CD1-SD 4.18Å; I3-M494 HydrophobicContact CG2-SD 4.18Å; I19-M494 HydrophobicContact CD1-CE 4.44Å; I19-M494 HydrophobicContact CD1-SD 3.96Å; I19-M494 HydrophobicContact CG1-SD 4.43Å; K271-M494 HydrophobicContact CD-CG 3.83Å; K271-M494 HydrophobicContact CD-SD 4.38Å; L273-M494 HydrophobicContact CB-CE 3.74Å; L273-M494 HydrophobicContact CD1-CE 4.33Å; L273-M494 HydrophobicContact CD2-CE 4.4Å; L273-M494 HydrophobicContact CG-CE 4.38Å; Y468-M494 HydrophobicContact CD1-CB 4.22Å; Y468-M494 HydrophobicContact CD1-CE 4.15Å; Y468-M494 HydrophobicContact CD2-CE 3.29Å; Y468-M494 HydrophobicContact CD2-CG 4.28Å; Y468-M494 HydrophobicContact CD2-SD 4.45Å; Y468-M494 HydrophobicContact CE1-CB 3.93Å; Y468-M494 HydrophobicContact CE1-CG 4.21Å; Y468-M494 HydrophobicContact CE2-CB 4.47Å; Y468-M494 HydrophobicContact CE2-CE 3.84Å; Y468-M494 HydrophobicContact CE2-CG 3.87Å; Y468-M494 HydrophobicContact CE2-SD 4.47Å; Y468-M494 HydrophobicContact CG-CE 3.48Å; Y468-M494 VanDerWaalsContact CG-CE 3.48Å; T490-M494 WeakPolarHBondContact O-CB 3.5Å; T490-M494 PolarHBondContact O-N 2.95Å; V491-M494 WeakPolarHBondContact O-CB 3.49Å; V491-M494 PolarHBondContact O-N 3.35Å; M494-K496 VanDerWaalsContact C-N 3.33Å; M494-K496 PolarHBondContact O-N 3.1Å; M494-D497 WeakPolarHBondContact O-CB 3.28Å; M494-D497 PolarHBondContact O-N 3.04Å; M494-D497 VanDerWaalsContact O-N 3.08Å; M494-I498 HydrophobicContact CG-CD1 4.34Å; M494-I498 WeakPolarHBondContact O-CG1 3.49Å; M494-I498 PolarHBondContact O-N 3.17Å
495	I	97.1	Very high	94.8	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177.4	-63.2	-55.8	0	0	0	110.5	Q22 V491 D497 I498 E499	Q22-I495 HydrophobicContact CB-CD1 4Å; Q22-I495 HydrophobicContact CG-CD1 3.95Å; Q22-I495 HydrophobicContact CG-CG1 4.25Å; V491-I495 HydrophobicContact CG1-CG1 4.01Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 3.38Å; I495-D497 VanDerWaalsContact C-N 3.28Å; I495-D497 PolarHBondContact O-N 2.99Å; I495-I498 HydrophobicContact CD1-CD1 4.16Å; I495-I498 WeakPolarHBondContact O-CB 3.5Å; I495-I498 PolarHBondContact O-N 2.9Å; I495-I498 VanDerWaalsContact O-N 3.11Å; I495-E499 HydrophobicContact CG2-CG 4.29Å; I495-E499 WeakPolarHBondContact O-CG 3.41Å; I495-E499 PolarHBondContact O-N 2.6Å
496	K	96.2	Very high	94.8	Very high	76 Å²	76	44.2 Å²	44.2	33%	0.33	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-37.8	173.6	-72.7	169.7	-157.5	167.1	0	112.8	D492 E493 M494 R500	D492-K496 VanDerWaalsContact O-CG 3.23Å; D492-K496 WeakPolarHBondContact O-CG 3.42Å; D492-K496 PolarHBondContact O-N 3.06Å; D492-K496 VanDerWaalsContact O-N 3.16Å; E493-K496 PolarHBondContact O-N 3.02Å; E493-K496 WeakPolarHBondContact OE1-CD 3.29Å; E493-K496 IonicContact OE1-NZ 2.83Å; E493-K496 PolarHBondContact OE1-NZ 3.39Å; M494-K496 VanDerWaalsContact C-N 3.33Å; M494-K496 PolarHBondContact O-N 3.1Å; K496-R500 WeakPolarHBondContact O-CB 3.43Å; K496-R500 VanDerWaalsContact O-CD 3.3Å; K496-R500 WeakPolarHBondContact O-CD 3.25Å; K496-R500 WeakPolarHBondContact O-CG 3.25Å; K496-R500 PolarHBondContact O-N 2.79Å; K496-R500 VanDerWaalsContact O-N 3.11Å
497	D	96.1	Very high	94.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-41	175.8	-71.5	-26.4	0	0	0	111.1	R144 Y468 E493 M494 I495 R500 G501 V502	R144-D497 IonicContact CZ-OD1 3.07Å; R144-D497 VanDerWaalsContact CZ-OD1 3.28Å; R144-D497 IonicContact CZ-OD2 2.8Å; R144-D497 IonicContact NH1-OD1 3.18Å; R144-D497 PolarHBondContact NH1-OD1 2.59Å; R144-D497 IonicContact NH1-OD2 2.67Å; R144-D497 PolarHBondContact NH1-OD2 3.29Å; R144-D497 IonicContact NH2-OD1 2.59Å; R144-D497 PolarHBondContact NH2-OD1 3.38Å; R144-D497 IonicContact NH2-OD2 3.22Å; R144-D497 PolarHBondContact NH2-OD2 2.94Å; Y468-D497 WeakPolarHBondContact CE1-OD2 3.35Å; Y468-D497 VanDerWaalsContact OH-CB 3.3Å; Y468-D497 WeakPolarHBondContact OH-CB 3.27Å; Y468-D497 PolarHBondContact OH-OD2 2.89Å; E493-D497 PolarHBondContact O-N 3.12Å; M494-D497 WeakPolarHBondContact O-CB 3.28Å; M494-D497 PolarHBondContact O-N 3.04Å; M494-D497 VanDerWaalsContact O-N 3.08Å; I495-D497 VanDerWaalsContact C-N 3.28Å; I495-D497 PolarHBondContact O-N 2.99Å; D497-R500 CarbonylContact O-C 3.39Å; D497-R500 PolarHBondContact O-N 3.14Å; D497-G501 PolarHBondContact O-N 2.87Å; D497-G501 VanDerWaalsContact O-N 3.09Å; D497-V502 HydrophobicContact CB-CB 4.28Å; D497-V502 PolarHBondContact O-N 2.84Å
498	I	95.6	Very high	94.4	Very high	25 Å²	25	50.1 Å²	50.1	13%	0.128	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-50.1	174.2	-66.4	175.2	0	0	0	110.8	M1 I3 H24 K271 M494 I495 R500 G501	M1-I498 HydrophobicContact CE-CB 4.47Å; M1-I498 HydrophobicContact CE-CG1 4.41Å; M1-I498 HydrophobicContact CE-CG2 3.84Å; M1-I498 HydrophobicContact SD-CB 4.28Å; M1-I498 HydrophobicContact SD-CD1 3.95Å; M1-I498 HydrophobicContact SD-CG1 3.67Å; M1-I498 HydrophobicContact SD-CG2 3.83Å; I3-I498 HydrophobicContact CD1-CD1 4.06Å; H24-I498 WeakPolarHBondContact NE2-CD1 3.38Å; K271-I498 HydrophobicContact CD-CD1 4.16Å; K271-I498 HydrophobicContact CD-CG1 3.83Å; M494-I498 HydrophobicContact CG-CD1 4.34Å; M494-I498 WeakPolarHBondContact O-CG1 3.49Å; M494-I498 PolarHBondContact O-N 3.17Å; I495-I498 HydrophobicContact CD1-CD1 4.16Å; I495-I498 WeakPolarHBondContact O-CB 3.5Å; I495-I498 PolarHBondContact O-N 2.9Å; I495-I498 VanDerWaalsContact O-N 3.11Å; I498-R500 PolarHBondContact O-N 3.08Å; I498-G501 PolarHBondContact O-N 3.41Å
499	E	94.4	Very high	94.2	Very high	152 Å²	152	49.4 Å²	49.4	71%	0.71	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-30.7	178.9	-71.2	174.2	167	0	0	112.7	I495 G501	I495-E499 HydrophobicContact CG2-CG 4.29Å; I495-E499 WeakPolarHBondContact O-CG 3.41Å; I495-E499 PolarHBondContact O-N 2.6Å; E499-G501 VanDerWaalsContact C-N 3.32Å
500	R	92.8	Very high	94	Very high	166 Å²	166	52.5 Å²	52.5	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-5.6	175.9	-70.1	169	-179.1	167.1	0.7	113.5	K496 D497 I498 V502	K496-R500 WeakPolarHBondContact O-CB 3.43Å; K496-R500 VanDerWaalsContact O-CD 3.3Å; K496-R500 WeakPolarHBondContact O-CD 3.25Å; K496-R500 WeakPolarHBondContact O-CG 3.25Å; K496-R500 PolarHBondContact O-N 2.79Å; K496-R500 VanDerWaalsContact O-N 3.11Å; D497-R500 CarbonylContact O-C 3.39Å; D497-R500 PolarHBondContact O-N 3.14Å; I498-R500 PolarHBondContact O-N 3.08Å; R500-V502 VanDerWaalsContact C-N 3.31Å; R500-V502 HydrophobicContact CB-CG2 3.91Å
501	G	88.2	Confident	93.7	Very high	66 Å²	66	56.9 Å²	56.9	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	29.9	-175.8	0	0	0	0	0	113.8	D497 I498 E499	D497-G501 PolarHBondContact O-N 2.87Å; D497-G501 VanDerWaalsContact O-N 3.09Å; I498-G501 PolarHBondContact O-N 3.41Å; E499-G501 VanDerWaalsContact C-N 3.32Å
502	V	75.1	Confident	93.3	Very high	69 Å²	69	61.7 Å²	61.7	42%	0.418	32%	0.322	S	S	.	.			trans	-92.1	0	-178.5	176.1	0	0	0	0	111.7	R256 K271 D497 R500	R256-V502 PolarHBondContact NH2-OXT 3.37Å; K271-V502 PolarHBondContact NZ-O 3.06Å; D497-V502 HydrophobicContact CB-CB 4.28Å; D497-V502 PolarHBondContact O-N 2.84Å; R500-V502 VanDerWaalsContact C-N 3.31Å; R500-V502 HydrophobicContact CB-CG2 3.91Å

Retrieved 502 of 502 residues in 1600.9 ms (Link to these results)

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