A0A077ZG73_TRITR Loading...

Integrator complex subunit 6

AlphaFold DB , UniProt , Accession A0A077ZG73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 933 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M76.3Confident92.8Very high96 Ų969.5 Ų9.547%0.4735%0.048SC..  0117.80177.9176.8179.800107.1I3 I48 R50M1-I3 HydrophobicContact CE-CG1 4.38Å; M1-I48 VanDerWaalsContact CA-CG2 3.45Å; M1-I48 VanDerWaalsContact CA-O 3.26Å; M1-I48 WeakPolarHBondContact CA-O 3.36Å; M1-I48 HydrophobicContact CB-CG2 4.34Å; M1-I48 WeakPolarHBondContact CB-O 3.21Å; M1-I48 VanDerWaalsContact CG-O 3.28Å; M1-I48 WeakPolarHBondContact CG-O 3.44Å; M1-R50 HydrophobicContact CE-CB 3.39Å; M1-R50 HydrophobicContact CE-CG 4.07Å
2T86.9Confident92.8Very high4 Ų413.5 Ų13.53%0.0258%0.083CC..  trans-101.8138.7166.150.50000109.8D49 R50 P123 T230T2-D49 PolarHBondContact N-OD1 3.31Å; T2-D49 VanDerWaalsContact O-CA 3.29Å; T2-D49 WeakPolarHBondContact O-CA 3.11Å; T2-D49 PolarHBondContact OG1-OD1 3.25Å; T2-D49 PolarHBondContact OG1-OD2 3.34Å; T2-R50 PolarHBondContact O-N 3.48Å; T2-P123 HydrophobicContact CG2-CB 4.14Å; T2-P123 HydrophobicContact CG2-CG 3.78Å; T2-T230 HydrophobicContact CG2-CG2 3.29Å
3I92.8Very high92.7Very high2 Ų214.7 Ų14.71%0.019%0.092CC..EExtended strand (participates in β ladder)trans-98.5127.4177.6-62.2151.1000107.6M1 R50 M52 W67 L100 E122 P123 A124 V125M1-I3 HydrophobicContact CE-CG1 4.38Å; I3-R50 WeakPolarHBondContact CA-O 3.26Å; I3-M52 HydrophobicContact CG2-CE 3.89Å; I3-M52 HydrophobicContact CG2-SD 3.97Å; I3-W67 HydrophobicContact CD1-CH2 3.51Å; I3-W67 HydrophobicContact CD1-CZ3 3.77Å; I3-W67 HydrophobicContact CG1-CH2 4.45Å; I3-W67 HydrophobicContact CG1-CZ3 4.42Å; I3-L100 HydrophobicContact CG2-CD2 3.96Å; I3-E122 HydrophobicContact CD1-CG 3.41Å; I3-E122 VanDerWaalsContact CD1-CG 3.41Å; I3-E122 VanDerWaalsContact CD1-OE1 3.31Å; I3-E122 WeakPolarHBondContact CD1-OE1 3.44Å; I3-P123 PolarHBondContact N-O 3.19Å; I3-A124 HydrophobicContact CB-CB 4.11Å; I3-A124 HydrophobicContact CG2-CB 4.45Å; I3-A124 CarbonylContact O-C 3.52Å; I3-A124 VanDerWaalsContact O-CA 3.27Å; I3-A124 WeakPolarHBondContact O-CA 3.38Å; I3-V125 PolarHBondContact O-N 3.19Å
4I94.9Very high92.7Very high0 Ų013.6 Ų13.60%09%0.086CC..EExtended strand (participates in β ladder)trans-118.7111.7177.7-58.8168.6000106.9F6 R50 Y51 M52 V125 I127 L228I4-F6 HydrophobicContact CG2-CD2 4.37Å; I4-F6 HydrophobicContact CG2-CE1 4.14Å; I4-F6 HydrophobicContact CG2-CE2 3.81Å; I4-F6 HydrophobicContact CG2-CZ 3.69Å; I4-R50 PolarHBondContact N-O 3.05Å; I4-Y51 HydrophobicContact CB-CD1 4.02Å; I4-Y51 HydrophobicContact CB-CE1 4.37Å; I4-Y51 HydrophobicContact CD1-CD1 4.28Å; I4-Y51 HydrophobicContact CD1-CE1 3.75Å; I4-Y51 HydrophobicContact CG2-CD1 4.41Å; I4-Y51 CarbonylContact O-C 3.57Å; I4-Y51 VanDerWaalsContact O-CA 3.31Å; I4-Y51 WeakPolarHBondContact O-CA 3.32Å; I4-M52 PolarHBondContact O-N 2.76Å; I4-V125 WeakPolarHBondContact CA-O 3.18Å; I4-I127 HydrophobicContact CG2-CD1 3.96Å; I4-L228 HydrophobicContact CD1-CD1 4.35Å
5L96.4Very high92.8Very high0 Ų018.4 Ų18.40%011%0.11CC..EExtended strand (participates in β ladder)trans-103.1116.8178.8-171.9156.8000108.2L7 M52 L54 A96 L99 L100 V125 V126 I127L5-L7 HydrophobicContact CD2-CB 4.13Å; L5-M52 HydrophobicContact CB-CB 4.31Å; L5-M52 HydrophobicContact CD1-CB 4.47Å; L5-M52 HydrophobicContact CD1-SD 4.43Å; L5-M52 HydrophobicContact CG-CB 4.09Å; L5-L54 HydrophobicContact CD1-CD1 3.85Å; L5-L54 HydrophobicContact CD1-CD2 4.12Å; L5-L54 HydrophobicContact CD2-CB 4.28Å; L5-L54 HydrophobicContact CD2-CD1 4.14Å; L5-L54 HydrophobicContact CD2-CD2 4.31Å; L5-L54 HydrophobicContact CD2-CG 4.48Å; L5-L54 HydrophobicContact CG-CD1 3.89Å; L5-A96 HydrophobicContact CD1-CB 4.17Å; L5-A96 HydrophobicContact CD2-CB 4.05Å; L5-L99 HydrophobicContact CD1-CD2 4.28Å; L5-L100 HydrophobicContact CD1-CD1 4.3Å; L5-L100 HydrophobicContact CD1-CD2 4.27Å; L5-L100 HydrophobicContact CD1-CG 4.15Å; L5-V125 PolarHBondContact N-O 3.09Å; L5-V126 HydrophobicContact CB-CG2 4.4Å; L5-V126 HydrophobicContact CD2-CG1 4.11Å; L5-V126 CarbonylContact O-C 3.6Å; L5-V126 VanDerWaalsContact O-CA 3.32Å; L5-V126 WeakPolarHBondContact O-CA 3.32Å; L5-I127 PolarHBondContact O-N 2.87Å
6F97.4Very high92.7Very high0 Ų022.9 Ų22.90%013%0.13CC..EExtended strand (participates in β ladder)trans-89.2118.8172.3-63.4-76.8000108.7I4 I32 I35 L36 Y51 M52 L53 L54 F74 I127 F129I4-F6 HydrophobicContact CG2-CD2 4.37Å; I4-F6 HydrophobicContact CG2-CE1 4.14Å; I4-F6 HydrophobicContact CG2-CE2 3.81Å; I4-F6 HydrophobicContact CG2-CZ 3.69Å; F6-I32 HydrophobicContact CB-CD1 4.17Å; F6-I32 HydrophobicContact CD1-CD1 4.2Å; F6-I32 HydrophobicContact CD1-CG1 3.76Å; F6-I32 HydrophobicContact CD1-CG2 4.24Å; F6-I32 HydrophobicContact CD2-CG2 4.17Å; F6-I32 HydrophobicContact CE1-CB 4.5Å; F6-I32 HydrophobicContact CE1-CG1 4.06Å; F6-I32 HydrophobicContact CE1-CG2 4.16Å; F6-I32 HydrophobicContact CE2-CG2 4.07Å; F6-I32 HydrophobicContact CG-CD1 4.28Å; F6-I32 HydrophobicContact CG-CG1 4.23Å; F6-I32 HydrophobicContact CG-CG2 4.22Å; F6-I32 HydrophobicContact CZ-CG2 4.07Å; F6-I35 HydrophobicContact CE1-CD1 3.95Å; F6-I35 HydrophobicContact CE1-CG2 4.38Å; F6-I35 HydrophobicContact CZ-CG2 4.11Å; F6-L36 HydrophobicContact CE2-CD1 3.66Å; F6-L36 HydrophobicContact CZ-CD1 3.67Å; F6-Y51 AromaticContact CE2-CD1 3.76Å; F6-Y51 HydrophobicContact CE2-CD1 3.76Å; F6-Y51 HydrophobicContact CZ-CD1 4.44Å; F6-M52 PolarHBondContact N-O 3.42Å; F6-L53 HydrophobicContact CB-CD1 4.16Å; F6-L54 PolarHBondContact O-N 3.37Å; F6-F74 AromaticContact CD2-CE2 3.79Å; F6-F74 HydrophobicContact CD2-CE2 3.79Å; F6-F74 AromaticContact CD2-CZ 3.54Å; F6-F74 HydrophobicContact CD2-CZ 3.54Å; F6-F74 HydrophobicContact CE2-CE2 4.41Å; F6-F74 AromaticContact CE2-CZ 3.88Å; F6-F74 HydrophobicContact CE2-CZ 3.88Å; F6-F74 HydrophobicContact CG-CZ 4.46Å; F6-I127 HydrophobicContact CD1-CB 4.05Å; F6-I127 HydrophobicContact CD1-CD1 4.34Å; F6-I127 HydrophobicContact CD1-CG2 4.46Å; F6-I127 HydrophobicContact CE1-CB 4.35Å; F6-I127 HydrophobicContact CE1-CD1 3.79Å; F6-F129 HydrophobicContact CD1-CE2 4.1Å
7L96.8Very high92.6Very high0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-106.1103174.3-171.367.9000107.6L5 L54 F56 A92 L93 V126 I127 V128 F129L5-L7 HydrophobicContact CD2-CB 4.13Å; L7-L54 WeakPolarHBondContact CA-O 3.48Å; L7-L54 HydrophobicContact CD1-CB 3.57Å; L7-F56 HydrophobicContact CD1-CD1 4.44Å; L7-F56 HydrophobicContact CD1-CE1 4.49Å; L7-F56 HydrophobicContact CD2-CE1 4.1Å; L7-F56 HydrophobicContact CG-CD1 4.27Å; L7-F56 HydrophobicContact CG-CE1 3.84Å; L7-A92 HydrophobicContact CD1-CB 4.17Å; L7-A92 HydrophobicContact CD2-CB 4.16Å; L7-L93 HydrophobicContact CD2-CD2 3.68Å; L7-L93 HydrophobicContact CD2-CG 3.98Å; L7-V126 HydrophobicContact CB-CG1 4.24Å; L7-I127 PolarHBondContact N-O 3.39Å; L7-V128 HydrophobicContact CB-CG2 4.27Å; L7-V128 HydrophobicContact CD2-CG1 4.36Å; L7-V128 HydrophobicContact CD2-CG2 4.14Å; L7-V128 CarbonylContact O-C 3.59Å; L7-V128 WeakPolarHBondContact O-CA 3.49Å; L7-F129 PolarHBondContact O-N 2.82Å
8V96.5Very high92.5Very high1 Ų127.4 Ų27.41%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-100.9123.5-175-176.10000109.1T10 L25 I32 L53 L54 T55 L81V8-T10 PolarHBondContact O-N 3.48Å; V8-L25 HydrophobicContact CG1-CD1 3.69Å; V8-I32 HydrophobicContact CG2-CD1 3.5Å; V8-I32 VanDerWaalsContact CG2-CD1 3.5Å; V8-L53 HydrophobicContact CG2-CD1 3.87Å; V8-L54 PolarHBondContact N-O 2.72Å; V8-T55 WeakPolarHBondContact O-CA 3.39Å; V8-L81 HydrophobicContact CB-CD1 4.29Å; V8-L81 HydrophobicContact CG1-CD1 4.22Å
9D95.2Very high92.1Very high0 Ų030.1 Ų30.10%017%0.172CC..  trans-64.7115.9168.3-167.8-11.2000109.2S11 M14 F56 T87 F129 T130D9-S11 VanDerWaalsContact CG-OG 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.44Å; D9-S11 PolarHBondContact OD1-N 2.9Å; D9-S11 PolarHBondContact OD1-OG 3.34Å; D9-S11 PolarHBondContact OD2-OG 2.76Å; D9-M14 HydrophobicContact CB-CG 4Å; D9-M14 HydrophobicContact CB-SD 4.23Å; D9-M14 WeakPolarHBondContact O-CG 3.25Å; D9-F56 HydrophobicContact CB-CD1 4.41Å; D9-F56 HydrophobicContact CB-CD2 4.28Å; D9-F56 HydrophobicContact CB-CE1 3.98Å; D9-F56 HydrophobicContact CB-CE2 3.88Å; D9-F56 HydrophobicContact CB-CZ 3.7Å; D9-T87 WeakPolarHBondContact OD2-CG2 3.48Å; D9-F129 WeakPolarHBondContact CB-O 3.4Å; D9-F129 PolarHBondContact N-O 3.38Å; D9-T130 PolarHBondContact OD2-OG1 3.42Å; D9-T130 VanDerWaalsContact OD2-OG1 3.11Å
10T93.8Very high91.8Very high2 Ų232.1 Ų32.11%0.01219%0.192CC..  trans-10718.2174.852.80000110.9V8 T55 L81 A83 S84V8-T10 PolarHBondContact O-N 3.48Å; T10-T55 HydrophobicContact CG2-CG2 3.67Å; T10-L81 HydrophobicContact CG2-CD2 4.46Å; T10-A83 CarbonylContact O-C 3.47Å; T10-A83 VanDerWaalsContact O-C 3.31Å; T10-A83 VanDerWaalsContact O-CA 3.24Å; T10-A83 WeakPolarHBondContact O-CA 3.28Å; T10-S84 CarbonylContact O-C 3.55Å; T10-S84 VanDerWaalsContact O-C 3.28Å; T10-S84 PolarHBondContact O-N 3.25Å
11S93.3Very high91.6Very high0 Ų033.2 Ų33.20%021%0.21CC..SBendtrans-66.8160.3176.963.90000112.5D9 S13 M14 A83 G85 T87D9-S11 VanDerWaalsContact CG-OG 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.44Å; D9-S11 PolarHBondContact OD1-N 2.9Å; D9-S11 PolarHBondContact OD1-OG 3.34Å; D9-S11 PolarHBondContact OD2-OG 2.76Å; S11-S13 PolarHBondContact O-N 3.19Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S11-S13 PolarHBondContact OG-OG 3.09Å; S11-S13 VanDerWaalsContact OG-OG 3.08Å; S11-M14 WeakPolarHBondContact O-CB 3.45Å; S11-M14 PolarHBondContact O-N 3.4Å; S11-M14 VanDerWaalsContact O-N 3.07Å; S11-A83 WeakPolarHBondContact O-CB 3.39Å; S11-G85 WeakPolarHBondContact CA-O 3.44Å; S11-T87 VanDerWaalsContact CB-OG1 3.26Å; S11-T87 WeakPolarHBondContact CB-OG1 3.3Å; S11-T87 PolarHBondContact OG-OG1 2.94Å
12A92.7Very high92.3Very high57 Ų5731.1 Ų31.147%0.47120%0.2SC..G310 helixtrans-59-24.7-177.600000113.7M14 N15 G85A12-M14 PolarHBondContact O-N 3.07Å; A12-N15 WeakPolarHBondContact O-CB 2.96Å; A12-N15 PolarHBondContact O-N 3.04Å; A12-N15 PolarHBondContact O-ND2 3.14Å; A12-G85 PolarHBondContact N-O 3.15Å
13S92Very high92.6Very high29 Ų2931.4 Ų31.420%0.20320%0.203CC..G310 helixtrans-70-19.917959.90000113.4S11 N15 Q16 D131S11-S13 PolarHBondContact O-N 3.19Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S11-S13 PolarHBondContact OG-OG 3.09Å; S11-S13 VanDerWaalsContact OG-OG 3.08Å; S13-N15 PolarHBondContact O-N 3.28Å; S13-Q16 WeakPolarHBondContact O-CB 3.28Å; S13-Q16 WeakPolarHBondContact O-CG 3.25Å; S13-Q16 PolarHBondContact O-N 3.42Å; S13-Q16 PolarHBondContact O-NE2 2.86Å; S13-D131 WeakPolarHBondContact CB-OD2 3.27Å; S13-D131 PolarHBondContact OG-OD2 3.16Å
14M93.5Very high92.7Very high0 Ų031.5 Ų31.50%020%0.203CC..G310 helixtrans-72.1-7.8175.8-69.1-72.8-68.700113.6D9 S11 A12 Q16 L24 L25 S28 A83 D131 L173D9-M14 HydrophobicContact CB-CG 4Å; D9-M14 HydrophobicContact CB-SD 4.23Å; D9-M14 WeakPolarHBondContact O-CG 3.25Å; S11-M14 WeakPolarHBondContact O-CB 3.45Å; S11-M14 PolarHBondContact O-N 3.4Å; S11-M14 VanDerWaalsContact O-N 3.07Å; A12-M14 PolarHBondContact O-N 3.07Å; M14-Q16 PolarHBondContact O-N 2.85Å; M14-L24 HydrophobicContact CE-CB 3.98Å; M14-L24 WeakPolarHBondContact O-CB 3.48Å; M14-L24 PolarHBondContact O-N 2.75Å; M14-L24 HydrophobicContact SD-CB 3.97Å; M14-L24 HydrophobicContact SD-CD1 4.47Å; M14-L25 HydrophobicContact CB-CB 4.34Å; M14-L25 PolarHBondContact O-N 3.2Å; M14-S28 WeakPolarHBondContact CE-OG 3.28Å; M14-A83 HydrophobicContact CB-CB 4.07Å; M14-D131 HydrophobicContact SD-CB 3.89Å; M14-L173 HydrophobicContact CE-CD1 4.36Å
15N93.5Very high92.7Very high85 Ų8531.7 Ų31.746%0.45520%0.204SC..G310 helixtrans-76.5-0.8170.1-69.3-49.7000113.5A12 S13 M17 A83A12-N15 WeakPolarHBondContact O-CB 2.96Å; A12-N15 PolarHBondContact O-N 3.04Å; A12-N15 PolarHBondContact O-ND2 3.14Å; S13-N15 PolarHBondContact O-N 3.28Å; N15-M17 PolarHBondContact O-N 3.05Å; N15-A83 PolarHBondContact ND2-O 3.21Å; N15-A83 WeakPolarHBondContact OD1-CB 3.19Å
16Q91.6Very high92.6Very high91 Ų9134.7 Ų34.743%0.42522%0.22SC..PPolyproline II helixtrans-59.9136.6173.7-73.5170.431.700110.8S13 M14 S23 L24 N133S13-Q16 WeakPolarHBondContact O-CB 3.28Å; S13-Q16 WeakPolarHBondContact O-CG 3.25Å; S13-Q16 PolarHBondContact O-N 3.42Å; S13-Q16 PolarHBondContact O-NE2 2.86Å; M14-Q16 PolarHBondContact O-N 2.85Å; Q16-S23 CarbonylContact O-C 3.59Å; Q16-S23 WeakPolarHBondContact O-CA 3.23Å; Q16-L24 HydrophobicContact CB-CD1 3.91Å; Q16-L24 HydrophobicContact CB-CG 4.26Å; Q16-L24 PolarHBondContact O-N 2.78Å; Q16-N133 PolarHBondContact NE2-ND2 3.07Å
17M91Very high92.5Very high120 Ų12034.7 Ų34.759%0.59122%0.22SC*.BIsolated β-bridgetrans-86134.6179.1-65.3-64.8-165.400110.5N15N15-M17 PolarHBondContact O-N 3.05Å
18T90Very high92.5Very high6 Ų634.7 Ų34.74%0.03722%0.22CC..PPolyproline II helixtrans-81.3169.817162.70000111.5A20 G21 I22 L24 V27 M175T18-A20 PolarHBondContact O-N 3.47Å; T18-A20 PolarHBondContact OG1-N 3.29Å; T18-G21 PolarHBondContact O-N 2.92Å; T18-I22 PolarHBondContact N-O 3.27Å; T18-I22 VanDerWaalsContact OG1-CG1 3.3Å; T18-I22 WeakPolarHBondContact OG1-CG1 3.45Å; T18-I22 PolarHBondContact OG1-O 3.07Å; T18-L24 HydrophobicContact CG2-CD2 3.55Å; T18-L24 HydrophobicContact CG2-CG 4.45Å; T18-V27 HydrophobicContact CG2-CG2 3.91Å; T18-M175 HydrophobicContact CG2-CB 3.83Å; T18-M175 HydrophobicContact CG2-CG 4.49Å; T18-M175 HydrophobicContact CG2-SD 3.89Å
19S85.8Confident92.5Very high79 Ų7936.3 Ų36.355%0.55223%0.227SC*.THydrogen-bonded Turntrans-58.6-16.1172.352.10000114.5S176S19-S176 PolarHBondContact N-O 3.31Å
20A84.6Confident92.5Very high70 Ų7040.7 Ų40.758%0.57925%0.25SS*.THydrogen-bonded Turntrans-88.2-0.6174.500000113.8T18 I22T18-A20 PolarHBondContact O-N 3.47Å; T18-A20 PolarHBondContact OG1-N 3.29Å; A20-I22 VanDerWaalsContact C-N 3.29Å; A20-I22 HydrophobicContact CB-CD1 4.48Å; A20-I22 HydrophobicContact CB-CG1 4.14Å; A20-I22 PolarHBondContact O-N 2.91Å
21G87.7Confident92.6Very high56 Ų5640.7 Ų40.758%0.57725%0.251SS*.SBendtrans7711.2-179.300000114.9T18T18-G21 PolarHBondContact O-N 2.92Å
22I91.6Very high92.7Very high51 Ų5140.7 Ų40.726%0.26225%0.251SS..  trans-106.1148.5174.557.6176.2000110.4T18 A20 D26 V27 M214T18-I22 PolarHBondContact N-O 3.27Å; T18-I22 VanDerWaalsContact OG1-CG1 3.3Å; T18-I22 WeakPolarHBondContact OG1-CG1 3.45Å; T18-I22 PolarHBondContact OG1-O 3.07Å; A20-I22 VanDerWaalsContact C-N 3.29Å; A20-I22 HydrophobicContact CB-CD1 4.48Å; A20-I22 HydrophobicContact CB-CG1 4.14Å; A20-I22 PolarHBondContact O-N 2.91Å; I22-D26 HydrophobicContact CB-CB 4.44Å; I22-V27 HydrophobicContact CD1-CG2 3.44Å; I22-V27 VanDerWaalsContact CD1-CG2 3.44Å; I22-V27 HydrophobicContact CG1-CG2 3.71Å; I22-M214 HydrophobicContact CD1-CE 3.9Å
23S93.6Very high92.7Very high11 Ų1140 Ų408%0.07724%0.239CC..BIsolated β-bridgetrans-69.5156.4177.175.40000111.5Q16 L25 D26 V27Q16-S23 CarbonylContact O-C 3.59Å; Q16-S23 WeakPolarHBondContact O-CA 3.23Å; S23-L25 PolarHBondContact O-N 3.35Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact O-N 2.94Å; S23-D26 VanDerWaalsContact O-N 3.14Å; S23-D26 PolarHBondContact OG-N 3.25Å; S23-D26 PolarHBondContact OG-OD2 3.4Å; S23-V27 WeakPolarHBondContact O-CG2 3.21Å; S23-V27 PolarHBondContact O-N 2.89Å
24L94.8Very high92.8Very high3 Ų340.3 Ų40.32%0.01624%0.24CC..Hα-helixtrans-60.5-31.1173.6-63.9176.4000112.1M14 Q16 T18 S28 D131 L173 M175M14-L24 HydrophobicContact CE-CB 3.98Å; M14-L24 WeakPolarHBondContact O-CB 3.48Å; M14-L24 PolarHBondContact O-N 2.75Å; M14-L24 HydrophobicContact SD-CB 3.97Å; M14-L24 HydrophobicContact SD-CD1 4.47Å; Q16-L24 HydrophobicContact CB-CD1 3.91Å; Q16-L24 HydrophobicContact CB-CG 4.26Å; Q16-L24 PolarHBondContact O-N 2.78Å; T18-L24 HydrophobicContact CG2-CD2 3.55Å; T18-L24 HydrophobicContact CG2-CG 4.45Å; L24-S28 PolarHBondContact O-N 2.97Å; L24-S28 PolarHBondContact O-OG 3.5Å; L24-D131 HydrophobicContact CD1-CB 3.88Å; L24-L173 HydrophobicContact CB-CD1 4.36Å; L24-L173 HydrophobicContact CD2-CB 4.02Å; L24-M175 HydrophobicContact CD2-CB 4.18Å
25L95.3Very high92.8Very high5 Ų540.3 Ų40.33%0.02624%0.24CC..Hα-helixtrans-64.6-44.3173.8-175.565.9000111.4V8 M14 S23 V27 S28 K29 L81 A83V8-L25 HydrophobicContact CG1-CD1 3.69Å; M14-L25 HydrophobicContact CB-CB 4.34Å; M14-L25 PolarHBondContact O-N 3.2Å; S23-L25 PolarHBondContact O-N 3.35Å; L25-V27 VanDerWaalsContact C-N 3.35Å; L25-V27 PolarHBondContact O-N 3.42Å; L25-S28 WeakPolarHBondContact O-CA 3.49Å; L25-S28 VanDerWaalsContact O-CB 3.3Å; L25-S28 WeakPolarHBondContact O-CB 3.34Å; L25-S28 PolarHBondContact O-N 3.34Å; L25-S28 VanDerWaalsContact O-N 3.08Å; L25-K29 WeakPolarHBondContact O-CG 3.47Å; L25-K29 PolarHBondContact O-N 3.23Å; L25-L81 WeakPolarHBondContact CD2-O 3.28Å; L25-A83 HydrophobicContact CD2-CB 3.87Å
26D94.9Very high92.8Very high62 Ų6236.6 Ų36.633%0.33222%0.22SC..Hα-helixtrans-67.7-36.2178.5-59.9-41.1000111.9I22 S23 S28 K29 N30I22-D26 HydrophobicContact CB-CB 4.44Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact O-N 2.94Å; S23-D26 VanDerWaalsContact O-N 3.14Å; S23-D26 PolarHBondContact OG-N 3.25Å; S23-D26 PolarHBondContact OG-OD2 3.4Å; D26-S28 VanDerWaalsContact C-N 3.27Å; D26-S28 PolarHBondContact O-N 3.23Å; D26-K29 PolarHBondContact O-N 2.71Å; D26-N30 WeakPolarHBondContact O-CB 3.28Å; D26-N30 VanDerWaalsContact O-CG 3.31Å; D26-N30 PolarHBondContact O-N 3.4Å; D26-N30 PolarHBondContact O-ND2 3.06Å
27V95.2Very high92.7Very high0 Ų037.7 Ų37.70%022%0.223CC..Hα-helixtrans-57.2-43.8169.1175.60000110.5T18 I22 S23 L25 N30 A31 L173 M175 M214 L217T18-V27 HydrophobicContact CG2-CG2 3.91Å; I22-V27 HydrophobicContact CD1-CG2 3.44Å; I22-V27 VanDerWaalsContact CD1-CG2 3.44Å; I22-V27 HydrophobicContact CG1-CG2 3.71Å; S23-V27 WeakPolarHBondContact O-CG2 3.21Å; S23-V27 PolarHBondContact O-N 2.89Å; L25-V27 VanDerWaalsContact C-N 3.35Å; L25-V27 PolarHBondContact O-N 3.42Å; V27-N30 PolarHBondContact O-N 3.15Å; V27-A31 WeakPolarHBondContact O-CB 3.36Å; V27-A31 PolarHBondContact O-N 2.07Å; V27-L173 HydrophobicContact CB-CD1 4.46Å; V27-L173 HydrophobicContact CG1-CD1 4.23Å; V27-L173 HydrophobicContact CG1-CD2 4.2Å; V27-M175 HydrophobicContact CG1-CE 4.04Å; V27-M175 HydrophobicContact CG1-SD 4.17Å; V27-M175 HydrophobicContact CG2-SD 4.38Å; V27-M214 HydrophobicContact CG1-CE 4.01Å; V27-M214 HydrophobicContact CG2-CE 3.99Å; V27-L217 HydrophobicContact CG1-CD2 3.59Å
28S95.9Very high92.6Very high0 Ų034.3 Ų34.30%021%0.206CC..Hα-helixtrans-65.1-44.9178.5-55.80000111.8M14 L24 L25 D26 N30 A31 I32 L173M14-S28 WeakPolarHBondContact CE-OG 3.28Å; L24-S28 PolarHBondContact O-N 2.97Å; L24-S28 PolarHBondContact O-OG 3.5Å; L25-S28 WeakPolarHBondContact O-CA 3.49Å; L25-S28 VanDerWaalsContact O-CB 3.3Å; L25-S28 WeakPolarHBondContact O-CB 3.34Å; L25-S28 PolarHBondContact O-N 3.34Å; L25-S28 VanDerWaalsContact O-N 3.08Å; D26-S28 VanDerWaalsContact C-N 3.27Å; D26-S28 PolarHBondContact O-N 3.23Å; S28-N30 PolarHBondContact O-N 2.58Å; S28-A31 PolarHBondContact O-N 2.96Å; S28-I32 VanDerWaalsContact O-CG1 3.3Å; S28-I32 WeakPolarHBondContact O-CG1 3.44Å; S28-I32 PolarHBondContact O-N 2.76Å; S28-L173 WeakPolarHBondContact OG-CD1 3.43Å
29K95.7Very high92.6Very high36 Ų3634.4 Ų34.416%0.15721%0.206CC..Hα-helixtrans-57.7-48.2175.4-69.4175.7-179.4-179.10111.4L25 D26 A31 I32 D33 L78 R79 L81L25-K29 WeakPolarHBondContact O-CG 3.47Å; L25-K29 PolarHBondContact O-N 3.23Å; D26-K29 PolarHBondContact O-N 2.71Å; K29-A31 PolarHBondContact O-N 3.25Å; K29-I32 PolarHBondContact O-N 3.46Å; K29-D33 PolarHBondContact O-N 3.4Å; K29-L78 WeakPolarHBondContact CD-O 3.28Å; K29-L78 WeakPolarHBondContact CE-O 3.34Å; K29-L78 HydrophobicContact CG-CD1 4.21Å; K29-L78 HydrophobicContact CG-CG 4.39Å; K29-R79 PolarHBondContact NZ-O 3.44Å; K29-L81 WeakPolarHBondContact CE-O 3.37Å; K29-L81 PolarHBondContact NZ-O 3.28Å
30N95.1Very high92.6Very high91 Ų9133 Ų3349%0.48720%0.199SC..Hα-helixtrans-63.8-38.7177.9-73.1-27.2000112.5D26 V27 S28 T34D26-N30 WeakPolarHBondContact O-CB 3.28Å; D26-N30 VanDerWaalsContact O-CG 3.31Å; D26-N30 PolarHBondContact O-N 3.4Å; D26-N30 PolarHBondContact O-ND2 3.06Å; V27-N30 PolarHBondContact O-N 3.15Å; S28-N30 PolarHBondContact O-N 2.58Å; N30-T34 WeakPolarHBondContact O-CB 3.36Å; N30-T34 PolarHBondContact O-N 3.44Å; N30-T34 PolarHBondContact O-OG1 3.49Å
31A96.2Very high92.7Very high3 Ų339 Ų393%0.02521%0.207CC..Hα-helixtrans-64.1-42.1175.900000112V27 S28 K29 T34 I35 F129 L217 L221V27-A31 WeakPolarHBondContact O-CB 3.36Å; V27-A31 PolarHBondContact O-N 2.07Å; S28-A31 PolarHBondContact O-N 2.96Å; K29-A31 PolarHBondContact O-N 3.25Å; A31-T34 WeakPolarHBondContact O-CB 3.46Å; A31-T34 PolarHBondContact O-N 3.11Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.33Å; A31-F129 HydrophobicContact CB-CE1 3.62Å; A31-F129 HydrophobicContact CB-CZ 3.89Å; A31-L217 HydrophobicContact CB-CD1 4.44Å; A31-L217 HydrophobicContact CB-CD2 4.19Å; A31-L221 HydrophobicContact CB-CD1 4Å; A31-L221 HydrophobicContact CB-CD2 4.37Å
32I95.9Very high92.4Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-61.8-50.7176.6-69.9167.5000110.2F6 V8 S28 K29 T34 I35 L36 F74 L78 F129F6-I32 HydrophobicContact CB-CD1 4.17Å; F6-I32 HydrophobicContact CD1-CD1 4.2Å; F6-I32 HydrophobicContact CD1-CG1 3.76Å; F6-I32 HydrophobicContact CD1-CG2 4.24Å; F6-I32 HydrophobicContact CD2-CG2 4.17Å; F6-I32 HydrophobicContact CE1-CB 4.5Å; F6-I32 HydrophobicContact CE1-CG1 4.06Å; F6-I32 HydrophobicContact CE1-CG2 4.16Å; F6-I32 HydrophobicContact CE2-CG2 4.07Å; F6-I32 HydrophobicContact CG-CD1 4.28Å; F6-I32 HydrophobicContact CG-CG1 4.23Å; F6-I32 HydrophobicContact CG-CG2 4.22Å; F6-I32 HydrophobicContact CZ-CG2 4.07Å; V8-I32 HydrophobicContact CG2-CD1 3.5Å; V8-I32 VanDerWaalsContact CG2-CD1 3.5Å; S28-I32 VanDerWaalsContact O-CG1 3.3Å; S28-I32 WeakPolarHBondContact O-CG1 3.44Å; S28-I32 PolarHBondContact O-N 2.76Å; K29-I32 PolarHBondContact O-N 3.46Å; I32-T34 VanDerWaalsContact C-N 3.25Å; I32-T34 PolarHBondContact O-N 2.89Å; I32-I35 WeakPolarHBondContact O-CB 3.29Å; I32-I35 PolarHBondContact O-N 3.18Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 WeakPolarHBondContact O-CD1 3.19Å; I32-L36 PolarHBondContact O-N 2.76Å; I32-F74 HydrophobicContact CG2-CE1 4.17Å; I32-F74 HydrophobicContact CG2-CZ 3.92Å; I32-L78 HydrophobicContact CB-CD2 4.14Å; I32-L78 HydrophobicContact CD1-CD1 3.84Å; I32-L78 HydrophobicContact CG2-CD1 4.41Å; I32-L78 HydrophobicContact CG2-CD2 3.66Å; I32-F129 HydrophobicContact CD1-CD2 4.14Å; I32-F129 HydrophobicContact CD1-CE2 3.93Å; I32-F129 HydrophobicContact CG1-CD2 4.2Å; I32-F129 HydrophobicContact CG1-CE2 3.49Å; I32-F129 VanDerWaalsContact CG1-CE2 3.49Å; I32-F129 HydrophobicContact CG1-CZ 3.83Å
33D93.7Very high91.8Very high42 Ų4245.5 Ų45.523%0.22522%0.223CC..Hα-helixtrans-57.4-40.8177.2-176.336.3000111.7K29 I35 L36 K37K29-D33 PolarHBondContact O-N 3.4Å; D33-I35 PolarHBondContact O-N 2.97Å; D33-L36 PolarHBondContact O-N 3.17Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.47Å; D33-K37 IonicContact OD1-NZ 3.5Å; D33-K37 WeakPolarHBondContact OD2-CE 3.47Å; D33-K37 IonicContact OD2-NZ 2.67Å; D33-K37 PolarHBondContact OD2-NZ 2.76Å
34T93.9Very high90.8Very high35 Ų3550.8 Ų50.822%0.21525%0.25CS..Hα-helixtrans-61.4-43.2175-58.50000112N30 A31 I32 L36 K37 H38 L221N30-T34 WeakPolarHBondContact O-CB 3.36Å; N30-T34 PolarHBondContact O-N 3.44Å; N30-T34 PolarHBondContact O-OG1 3.49Å; A31-T34 WeakPolarHBondContact O-CB 3.46Å; A31-T34 PolarHBondContact O-N 3.11Å; I32-T34 VanDerWaalsContact C-N 3.25Å; I32-T34 PolarHBondContact O-N 2.89Å; T34-L36 VanDerWaalsContact C-N 3.35Å; T34-L36 PolarHBondContact O-N 3.42Å; T34-K37 PolarHBondContact O-N 3.08Å; T34-H38 VanDerWaalsContact CG2-CE1 3.43Å; T34-H38 WeakPolarHBondContact CG2-CE1 3.32Å; T34-H38 WeakPolarHBondContact CG2-ND1 3.45Å; T34-H38 PolarHBondContact O-N 3.25Å; T34-H38 PolarHBondContact O-ND1 3.45Å; T34-L221 HydrophobicContact CG2-CD1 3.83Å
35I93.5Very high89.9Confident0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-61.3-43.7175.1-67.2164.3000110.8F6 A31 I32 D33 H38 R39 I127 F129 L221 V225F6-I35 HydrophobicContact CE1-CD1 3.95Å; F6-I35 HydrophobicContact CE1-CG2 4.38Å; F6-I35 HydrophobicContact CZ-CG2 4.11Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.33Å; I32-I35 WeakPolarHBondContact O-CB 3.29Å; I32-I35 PolarHBondContact O-N 3.18Å; D33-I35 PolarHBondContact O-N 2.97Å; I35-H38 PolarHBondContact O-N 2.74Å; I35-R39 HydrophobicContact CG2-CG 4.46Å; I35-R39 WeakPolarHBondContact O-CB 3.4Å; I35-R39 WeakPolarHBondContact O-CG 3.2Å; I35-R39 PolarHBondContact O-N 2.94Å; I35-I127 HydrophobicContact CD1-CD1 4.28Å; I35-F129 HydrophobicContact CD1-CZ 4.27Å; I35-L221 HydrophobicContact CD1-CD2 3.77Å; I35-L221 HydrophobicContact CG1-CD2 3.79Å; I35-V225 HydrophobicContact CG2-CG2 4.47Å
36L91.8Very high88.6Confident8 Ų859.8 Ų59.84%0.04228%0.284CS..Hα-helixtrans-61-44.9178.1-88.374.9000111F6 I32 D33 T34 R39 A40 Y51 F74 M75F6-L36 HydrophobicContact CE2-CD1 3.66Å; F6-L36 HydrophobicContact CZ-CD1 3.67Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 WeakPolarHBondContact O-CD1 3.19Å; I32-L36 PolarHBondContact O-N 2.76Å; D33-L36 PolarHBondContact O-N 3.17Å; T34-L36 VanDerWaalsContact C-N 3.35Å; T34-L36 PolarHBondContact O-N 3.42Å; L36-R39 PolarHBondContact O-N 3.43Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.04Å; L36-Y51 HydrophobicContact CD1-CD1 4.33Å; L36-Y51 HydrophobicContact CD1-CE1 4.33Å; L36-Y51 HydrophobicContact CD2-CD2 4.47Å; L36-Y51 HydrophobicContact CG-CD1 4.38Å; L36-Y51 HydrophobicContact CG-CE1 4.13Å; L36-Y51 HydrophobicContact CG-CE2 4.36Å; L36-F74 HydrophobicContact CD1-CE1 4.23Å; L36-F74 HydrophobicContact CD1-CZ 4.48Å; L36-F74 HydrophobicContact CD2-CD1 4.19Å; L36-F74 HydrophobicContact CD2-CE1 3.76Å; L36-M75 HydrophobicContact CD2-SD 3.83Å
37K90.7Very high87.4Confident113 Ų11360.9 Ų60.949%0.49131%0.31SS..Hα-helixtrans-61-45.9176.1-74167.8175.1165.80112.2D33 T34 R39 A40 R41D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.47Å; D33-K37 IonicContact OD1-NZ 3.5Å; D33-K37 WeakPolarHBondContact OD2-CE 3.47Å; D33-K37 IonicContact OD2-NZ 2.67Å; D33-K37 PolarHBondContact OD2-NZ 2.76Å; T34-K37 PolarHBondContact O-N 3.08Å; K37-R39 PolarHBondContact O-N 3.22Å; K37-A40 PolarHBondContact O-N 3.13Å; K37-R41 WeakPolarHBondContact O-CG 3.27Å; K37-R41 PolarHBondContact O-N 3.2Å
38H89.5Confident86.7Confident49 Ų4964.8 Ų64.823%0.22733%0.33CS..Hα-helixtrans-62.5-42177.1-77.582.8000112.2T34 I35 R41 V225T34-H38 VanDerWaalsContact CG2-CE1 3.43Å; T34-H38 WeakPolarHBondContact CG2-CE1 3.32Å; T34-H38 WeakPolarHBondContact CG2-ND1 3.45Å; T34-H38 PolarHBondContact O-N 3.25Å; T34-H38 PolarHBondContact O-ND1 3.45Å; I35-H38 PolarHBondContact O-N 2.74Å; H38-R41 PolarHBondContact O-N 2.97Å; H38-V225 HydrophobicContact CB-CG2 4Å
39R88.6Confident86.3Confident8 Ų865.7 Ų65.73%0.0334%0.335CS..Hα-helixtrans-66.6-35.3175.6-78-66.5-155.2135.412112.9I35 L36 K37 R41 D42 T45 D49 L228I35-R39 HydrophobicContact CG2-CG 4.46Å; I35-R39 WeakPolarHBondContact O-CB 3.4Å; I35-R39 WeakPolarHBondContact O-CG 3.2Å; I35-R39 PolarHBondContact O-N 2.94Å; L36-R39 PolarHBondContact O-N 3.43Å; K37-R39 PolarHBondContact O-N 3.22Å; R39-R41 VanDerWaalsContact C-N 3.27Å; R39-R41 PolarHBondContact O-N 2.97Å; R39-D42 PolarHBondContact O-N 3.15Å; R39-T45 PolarHBondContact O-OG1 3.41Å; R39-D49 IonicContact CZ-OD2 3.7Å; R39-D49 IonicContact NH1-OD2 2.81Å; R39-D49 PolarHBondContact NH1-OD2 2.96Å; R39-D49 IonicContact NH2-OD2 3.88Å; R39-L228 VanDerWaalsContact NH2-CD1 3.27Å; R39-L228 PolarHBondContact NH2-O 3.15Å
40A86.6Confident86Confident50 Ų5068.2 Ų68.241%0.41334%0.344SS..Hα-helixtrans-68.7-24.7177.600000113.4L36 K37L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.04Å; K37-A40 PolarHBondContact O-N 3.13Å
41R86.4Confident86Confident197 Ų19765.2 Ų65.274%0.74333%0.326SS*.Hα-helixtrans-71-30.6174.6-69.8174.8-180179.8-2.2112.6K37 H38 R39 Q43K37-R41 WeakPolarHBondContact O-CG 3.27Å; K37-R41 PolarHBondContact O-N 3.2Å; H38-R41 PolarHBondContact O-N 2.97Å; R39-R41 VanDerWaalsContact C-N 3.27Å; R39-R41 PolarHBondContact O-N 2.97Å; R41-Q43 PolarHBondContact O-N 3.33Å
42D82.6Confident85.9Confident64 Ų6465.1 Ų65.134%0.34233%0.325SS..  trans-78.1116.1179.9172.723.4000112R39 N44 T45 R46R39-D42 PolarHBondContact O-N 3.15Å; D42-N44 PolarHBondContact O-N 2.97Å; D42-N44 PolarHBondContact OD1-N 3.21Å; D42-N44 VanDerWaalsContact OD1-N 3.1Å; D42-T45 WeakPolarHBondContact CB-OG1 3.46Å; D42-T45 VanDerWaalsContact CG-OG1 3.29Å; D42-T45 PolarHBondContact O-N 2.95Å; D42-T45 PolarHBondContact O-OG1 2.87Å; D42-T45 VanDerWaalsContact OD2-CG2 3.23Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.47Å; D42-T45 PolarHBondContact OD2-OG1 3.44Å; D42-R46 WeakPolarHBondContact O-CB 3.45Å; D42-R46 PolarHBondContact O-N 3.36Å
43Q77.2Confident85.9Confident178 Ų17865.1 Ų65.183%0.83233%0.325SS*.THydrogen-bonded Turntrans-63.1-26.3-176.4-62.2-177.71500113.2R41 T45R41-Q43 PolarHBondContact O-N 3.33Å; Q43-T45 VanDerWaalsContact C-N 3.34Å
44N74.2Confident86Confident123 Ų12363.1 Ų63.166%0.65831%0.314SS*.THydrogen-bonded Turntrans-81.3-13.8-177.8-71.6-24.4000113.6D42 R295D42-N44 PolarHBondContact O-N 2.97Å; D42-N44 PolarHBondContact OD1-N 3.21Å; D42-N44 VanDerWaalsContact OD1-N 3.1Å; N44-R295 PolarHBondContact O-NH1 2.63Å
45T75.5Confident86.1Confident5 Ų561.4 Ų61.43%0.03130%0.304CS..THydrogen-bonded Turntrans-118.3-18.4-175.850.80000112.6R39 D42 Q43 G47 I48R39-T45 PolarHBondContact O-OG1 3.41Å; D42-T45 WeakPolarHBondContact CB-OG1 3.46Å; D42-T45 VanDerWaalsContact CG-OG1 3.29Å; D42-T45 PolarHBondContact O-N 2.95Å; D42-T45 PolarHBondContact O-OG1 2.87Å; D42-T45 VanDerWaalsContact OD2-CG2 3.23Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.47Å; D42-T45 PolarHBondContact OD2-OG1 3.44Å; Q43-T45 VanDerWaalsContact C-N 3.34Å; T45-G47 PolarHBondContact O-N 3.27Å; T45-G47 VanDerWaalsContact O-N 3.12Å; T45-I48 PolarHBondContact O-N 3.02Å
46R67.5Low86.1Confident191 Ų19161.6 Ų61.672%0.72131%0.305SS*.THydrogen-bonded Turntrans-52.2114.2178.1-168.4173.4-177.5173.14.7112.9D42 I48D42-R46 WeakPolarHBondContact O-CB 3.45Å; D42-R46 PolarHBondContact O-N 3.36Å; R46-I48 PolarHBondContact O-N 2.74Å
47G69.1Low86Confident85 Ų8563.9 Ų63.988%0.87632%0.315SS*.THydrogen-bonded Turntrans75.52.4176.400000115.6T45T45-G47 PolarHBondContact O-N 3.27Å; T45-G47 VanDerWaalsContact O-N 3.12Å
48I81.9Confident85.9Confident82 Ų8262.9 Ų62.942%0.42132%0.315SS..THydrogen-bonded Turntrans-98.7-25.8178.6-65.1171.7000111.1M1 T45 R46M1-I48 VanDerWaalsContact CA-CG2 3.45Å; M1-I48 VanDerWaalsContact CA-O 3.26Å; M1-I48 WeakPolarHBondContact CA-O 3.36Å; M1-I48 HydrophobicContact CB-CG2 4.34Å; M1-I48 WeakPolarHBondContact CB-O 3.21Å; M1-I48 VanDerWaalsContact CG-O 3.28Å; M1-I48 WeakPolarHBondContact CG-O 3.44Å; T45-I48 PolarHBondContact O-N 3.02Å; R46-I48 PolarHBondContact O-N 2.74Å
49D86.7Confident85.7Confident19 Ų1964.1 Ų64.110%0.10233%0.329CS..  trans-85.6148.7-176.5-68.2-11.5000111.7T2 R39T2-D49 PolarHBondContact N-OD1 3.31Å; T2-D49 VanDerWaalsContact O-CA 3.29Å; T2-D49 WeakPolarHBondContact O-CA 3.11Å; T2-D49 PolarHBondContact OG1-OD1 3.25Å; T2-D49 PolarHBondContact OG1-OD2 3.34Å; R39-D49 IonicContact CZ-OD2 3.7Å; R39-D49 IonicContact NH1-OD2 2.81Å; R39-D49 PolarHBondContact NH1-OD2 2.96Å; R39-D49 IonicContact NH2-OD2 3.88Å
50R90.2Very high85.4Confident89 Ų8965.9 Ų65.934%0.33634%0.342SS..EExtended strand (participates in β ladder)trans-117.3130.8176.1175.7171.5-68.3-172.6-7.7109.8M1 T2 I3 I4 M52 W67M1-R50 HydrophobicContact CE-CB 3.39Å; M1-R50 HydrophobicContact CE-CG 4.07Å; T2-R50 PolarHBondContact O-N 3.48Å; I3-R50 WeakPolarHBondContact CA-O 3.26Å; I4-R50 PolarHBondContact N-O 3.05Å; R50-M52 HydrophobicContact CG-CE 4.28Å; R50-W67 PolarHBondContact NH1-O 3.38Å
51Y94.2Very high85.4Confident29 Ų2966.1 Ų66.111%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-102.8136.3179-54-72000109.9I4 F6 L36I4-Y51 HydrophobicContact CB-CD1 4.02Å; I4-Y51 HydrophobicContact CB-CE1 4.37Å; I4-Y51 HydrophobicContact CD1-CD1 4.28Å; I4-Y51 HydrophobicContact CD1-CE1 3.75Å; I4-Y51 HydrophobicContact CG2-CD1 4.41Å; I4-Y51 CarbonylContact O-C 3.57Å; I4-Y51 VanDerWaalsContact O-CA 3.31Å; I4-Y51 WeakPolarHBondContact O-CA 3.32Å; F6-Y51 AromaticContact CE2-CD1 3.76Å; F6-Y51 HydrophobicContact CE2-CD1 3.76Å; F6-Y51 HydrophobicContact CZ-CD1 4.44Å; L36-Y51 HydrophobicContact CD1-CD1 4.33Å; L36-Y51 HydrophobicContact CD1-CE1 4.33Å; L36-Y51 HydrophobicContact CD2-CD2 4.47Å; L36-Y51 HydrophobicContact CG-CD1 4.38Å; L36-Y51 HydrophobicContact CG-CE1 4.13Å; L36-Y51 HydrophobicContact CG-CE2 4.36Å
52M95Very high85.6Confident0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-127.1146.7173.9-65.4175.5-175.100109I3 I4 L5 F6 R50 L54 A65 G66 W67 L99 L100I3-M52 HydrophobicContact CG2-CE 3.89Å; I3-M52 HydrophobicContact CG2-SD 3.97Å; I4-M52 PolarHBondContact O-N 2.76Å; L5-M52 HydrophobicContact CB-CB 4.31Å; L5-M52 HydrophobicContact CD1-CB 4.47Å; L5-M52 HydrophobicContact CD1-SD 4.43Å; L5-M52 HydrophobicContact CG-CB 4.09Å; F6-M52 PolarHBondContact N-O 3.42Å; R50-M52 HydrophobicContact CG-CE 4.28Å; M52-L54 HydrophobicContact CB-CD1 4.33Å; M52-A65 CarbonylContact C-O 3.28Å; M52-A65 VanDerWaalsContact CA-O 3.28Å; M52-A65 WeakPolarHBondContact CA-O 3.49Å; M52-A65 WeakPolarHBondContact CB-O 3.25Å; M52-G66 WeakPolarHBondContact CG-O 3.33Å; M52-W67 HydrophobicContact CE-CD2 3.29Å; M52-W67 VanDerWaalsContact CE-CE2 3.45Å; M52-W67 HydrophobicContact CE-CE3 3.49Å; M52-W67 VanDerWaalsContact CE-CE3 3.49Å; M52-W67 HydrophobicContact CE-CG 3.81Å; M52-W67 HydrophobicContact CE-CH2 3.9Å; M52-W67 HydrophobicContact CE-CZ2 3.76Å; M52-W67 HydrophobicContact CE-CZ3 3.78Å; M52-L99 HydrophobicContact SD-CD2 4.19Å; M52-L100 HydrophobicContact SD-CD2 4.42Å
53L95.8Very high86.1Confident0 Ų054.2 Ų54.20%029%0.285CS..EExtended strand (participates in β ladder)trans-123.5117.5179.4-175.561.4000110F6 V8 K64 A65 F74 E77 L78 L81F6-L53 HydrophobicContact CB-CD1 4.16Å; V8-L53 HydrophobicContact CG2-CD1 3.87Å; L53-K64 HydrophobicContact CB-CB 4.42Å; L53-K64 HydrophobicContact CD2-CB 4.13Å; L53-K64 HydrophobicContact CG-CB 4.25Å; L53-K64 PolarHBondContact O-N 3.25Å; L53-A65 HydrophobicContact CB-CB 4.02Å; L53-A65 PolarHBondContact N-O 3Å; L53-A65 PolarHBondContact O-N 2.63Å; L53-A65 VanDerWaalsContact O-N 3.14Å; L53-F74 HydrophobicContact CB-CD2 3.76Å; L53-F74 HydrophobicContact CB-CE2 3.62Å; L53-F74 HydrophobicContact CD1-CE2 4.44Å; L53-F74 HydrophobicContact CG-CE2 4.48Å; L53-E77 HydrophobicContact CD2-CB 4.13Å; L53-L78 HydrophobicContact CD1-CD1 4.19Å; L53-L78 HydrophobicContact CD2-CB 4.1Å; L53-L78 HydrophobicContact CD2-CD1 4.29Å; L53-L81 HydrophobicContact CD1-CD1 4.32Å; L53-L81 HydrophobicContact CD2-CD1 4.17Å; L53-L81 HydrophobicContact CD2-CD2 4.39Å; L53-L81 HydrophobicContact CD2-CG 4.38Å
54L95.4Very high86.7Confident0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-121.9150.6173.7-80.468.3000110.3L5 F6 L7 V8 M52 N62 V63 A96 L99L5-L54 HydrophobicContact CD1-CD1 3.85Å; L5-L54 HydrophobicContact CD1-CD2 4.12Å; L5-L54 HydrophobicContact CD2-CB 4.28Å; L5-L54 HydrophobicContact CD2-CD1 4.14Å; L5-L54 HydrophobicContact CD2-CD2 4.31Å; L5-L54 HydrophobicContact CD2-CG 4.48Å; L5-L54 HydrophobicContact CG-CD1 3.89Å; F6-L54 PolarHBondContact O-N 3.37Å; L7-L54 WeakPolarHBondContact CA-O 3.48Å; L7-L54 HydrophobicContact CD1-CB 3.57Å; V8-L54 PolarHBondContact N-O 2.72Å; M52-L54 HydrophobicContact CB-CD1 4.33Å; L54-N62 CarbonylContact C-O 3.57Å; L54-N62 VanDerWaalsContact CA-O 3.29Å; L54-N62 WeakPolarHBondContact CA-O 3.41Å; L54-V63 HydrophobicContact CD1-CG1 4.44Å; L54-V63 HydrophobicContact CG-CG2 4.27Å; L54-A96 HydrophobicContact CD2-CB 3.82Å; L54-L99 HydrophobicContact CD1-CD2 3.71Å; L54-L99 HydrophobicContact CD2-CD2 4.09Å; L54-L99 HydrophobicContact CG-CD2 4.41Å
55T94.9Very high87.6Confident0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-118.8176178.359.20000111V8 T10 E57 N62 K64 L81V8-T55 WeakPolarHBondContact O-CA 3.39Å; T10-T55 HydrophobicContact CG2-CG2 3.67Å; T55-E57 PolarHBondContact O-N 3.05Å; T55-N62 PolarHBondContact N-O 3.16Å; T55-N62 PolarHBondContact OG1-O 3.27Å; T55-K64 HydrophobicContact CG2-CG 3.9Å; T55-L81 HydrophobicContact CG2-CD2 3.59Å
56F93.7Very high88.3Confident4 Ų441 Ų412%0.01822%0.219CC..SBendtrans-869.2179.2-77.932.6000113.3L7 D9 T87 L89 A92 V128L7-F56 HydrophobicContact CD1-CD1 4.44Å; L7-F56 HydrophobicContact CD1-CE1 4.49Å; L7-F56 HydrophobicContact CD2-CE1 4.1Å; L7-F56 HydrophobicContact CG-CD1 4.27Å; L7-F56 HydrophobicContact CG-CE1 3.84Å; D9-F56 HydrophobicContact CB-CD1 4.41Å; D9-F56 HydrophobicContact CB-CD2 4.28Å; D9-F56 HydrophobicContact CB-CE1 3.98Å; D9-F56 HydrophobicContact CB-CE2 3.88Å; D9-F56 HydrophobicContact CB-CZ 3.7Å; F56-T87 HydrophobicContact CD2-CG2 4.23Å; F56-T87 HydrophobicContact CE2-CG2 3.89Å; F56-L89 HydrophobicContact CE1-CD1 4.32Å; F56-L89 HydrophobicContact CE2-CB 3.89Å; F56-L89 HydrophobicContact CE2-CD1 3.97Å; F56-L89 HydrophobicContact CZ-CB 4.31Å; F56-L89 HydrophobicContact CZ-CD1 3.49Å; F56-L89 VanDerWaalsContact CZ-CD1 3.49Å; F56-L89 HydrophobicContact CZ-CG 4.5Å; F56-A92 HydrophobicContact CB-CB 4.4Å; F56-A92 HydrophobicContact CD1-CB 3.69Å; F56-A92 HydrophobicContact CE1-CB 4.18Å; F56-A92 HydrophobicContact CG-CB 3.95Å; F56-V128 HydrophobicContact CZ-CG1 4.5Å
57E90.9Very high89.4Confident56 Ų5632.4 Ų32.426%0.26219%0.187SC..SBendtrans-66.6169.4173.9-64.8174.1-158.300111.8T55 H61 N62 K64T55-E57 PolarHBondContact O-N 3.05Å; E57-H61 WeakPolarHBondContact OE2-CB 3.24Å; E57-N62 HydrophobicContact CB-CB 4.23Å; E57-N62 WeakPolarHBondContact O-CB 3.37Å; E57-K64 VanDerWaalsContact CD-NZ 3.27Å; E57-K64 IonicContact OE1-NZ 3.55Å; E57-K64 PolarHBondContact OE1-NZ 3.35Å; E57-K64 VanDerWaalsContact OE1-NZ 3.07Å; E57-K64 IonicContact OE2-NZ 3.38Å; E57-K64 PolarHBondContact OE2-NZ 3.48Å
58D87.7Confident90.3Very high91 Ų9135.4 Ų35.449%0.48718%0.176SC..PPolyproline II helixtrans-79.6152.8174.3-62.7-52.6000111.3H61 N62 K88D58-H61 PolarHBondContact O-N 3.33Å; D58-H61 VanDerWaalsContact O-N 3.12Å; D58-N62 PolarHBondContact O-N 3.47Å; D58-K88 IonicContact OD1-NZ 3Å; D58-K88 PolarHBondContact OD1-NZ 3.1Å; D58-K88 IonicContact OD2-NZ 3.41Å; D58-K88 PolarHBondContact OD2-NZ 3.39Å
59S84.8Confident90.6Very high75 Ų7533.8 Ų33.852%0.52417%0.166SC..THydrogen-bonded Turntrans-69.5137.3176.2-165.30000110.7N62S59-N62 VanDerWaalsContact CA-OD1 3.25Å; S59-N62 WeakPolarHBondContact CA-OD1 3.22Å
60P83.5Confident90.7Very high46 Ų4635.6 Ų35.630%0.29918%0.181SC..THydrogen-bonded Turncis-92.4-7.812.135.1-35.5000116.5N62 V63P60-N62 PolarHBondContact O-N 3.41Å; P60-V63 PolarHBondContact O-N 3.07Å
61H86.5Confident90.6Very high55 Ų5536.8 Ų36.826%0.25519%0.19SC..THydrogen-bonded Turntrans-69.8-16.1-172.1-55.7-58.4000114.3E57 D58 V63 K64 Q499E57-H61 WeakPolarHBondContact OE2-CB 3.24Å; D58-H61 PolarHBondContact O-N 3.33Å; D58-H61 VanDerWaalsContact O-N 3.12Å; H61-V63 PolarHBondContact O-N 2.85Å; H61-K64 WeakPolarHBondContact O-CE 3.48Å; H61-K64 PolarHBondContact O-NZ 2.75Å; H61-Q499 PolarHBondContact CE1-O 3.47Å; H61-Q499 PolarHBondContact ND1-O 3.37Å
62N90.9Very high90.3Very high1 Ų139.8 Ų39.81%0.00521%0.211CC..THydrogen-bonded Turntrans-63.9-24.9179.676.4-56.5000114.2L54 T55 E57 D58 S59 P60 N95L54-N62 CarbonylContact C-O 3.57Å; L54-N62 VanDerWaalsContact CA-O 3.29Å; L54-N62 WeakPolarHBondContact CA-O 3.41Å; T55-N62 PolarHBondContact N-O 3.16Å; T55-N62 PolarHBondContact OG1-O 3.27Å; E57-N62 HydrophobicContact CB-CB 4.23Å; E57-N62 WeakPolarHBondContact O-CB 3.37Å; D58-N62 PolarHBondContact O-N 3.47Å; S59-N62 VanDerWaalsContact CA-OD1 3.25Å; S59-N62 WeakPolarHBondContact CA-OD1 3.22Å; P60-N62 PolarHBondContact O-N 3.41Å; N62-N95 WeakPolarHBondContact ND2-CB 3.43Å
63V92.1Very high90.1Very high9 Ų942.5 Ų42.56%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-92.9104.2178-174.20000109.4L54 P60 H61 L99 V497L54-V63 HydrophobicContact CD1-CG1 4.44Å; L54-V63 HydrophobicContact CG-CG2 4.27Å; P60-V63 PolarHBondContact O-N 3.07Å; H61-V63 PolarHBondContact O-N 2.85Å; V63-L99 HydrophobicContact CG1-CD2 4.39Å; V63-L99 HydrophobicContact CG2-CD2 4.46Å; V63-V497 HydrophobicContact CB-CG2 4.37Å; V63-V497 HydrophobicContact CG1-CG2 3.8Å
64K91.3Very high90Very high27 Ų2742.6 Ų42.612%0.11723%0.228CC..EExtended strand (participates in β ladder)trans-88.2-40.5177.7-55-58.4-172.2-1630111.9L53 T55 E57 H61 E77 L81 V497L53-K64 HydrophobicContact CB-CB 4.42Å; L53-K64 HydrophobicContact CD2-CB 4.13Å; L53-K64 HydrophobicContact CG-CB 4.25Å; L53-K64 PolarHBondContact O-N 3.25Å; T55-K64 HydrophobicContact CG2-CG 3.9Å; E57-K64 VanDerWaalsContact CD-NZ 3.27Å; E57-K64 IonicContact OE1-NZ 3.55Å; E57-K64 PolarHBondContact OE1-NZ 3.35Å; E57-K64 VanDerWaalsContact OE1-NZ 3.07Å; E57-K64 IonicContact OE2-NZ 3.38Å; E57-K64 PolarHBondContact OE2-NZ 3.48Å; H61-K64 WeakPolarHBondContact O-CE 3.48Å; H61-K64 PolarHBondContact O-NZ 2.75Å; K64-E77 HydrophobicContact CB-CB 4.05Å; K64-E77 HydrophobicContact CB-CG 4.22Å; K64-L81 HydrophobicContact CG-CD2 4.14Å; K64-V497 WeakPolarHBondContact O-CG1 3.38Å
65A92.1Very high89.8Confident0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-138.1123.3172.800000110.8M52 L53 E69 F74M52-A65 CarbonylContact C-O 3.28Å; M52-A65 VanDerWaalsContact CA-O 3.28Å; M52-A65 WeakPolarHBondContact CA-O 3.49Å; M52-A65 WeakPolarHBondContact CB-O 3.25Å; L53-A65 HydrophobicContact CB-CB 4.02Å; L53-A65 PolarHBondContact N-O 3Å; L53-A65 PolarHBondContact O-N 2.63Å; L53-A65 VanDerWaalsContact O-N 3.14Å; A65-E69 HydrophobicContact CB-CB 4.27Å; A65-F74 HydrophobicContact CB-CB 4.08Å; A65-F74 HydrophobicContact CB-CD2 4.03Å
66G91Very high89.7Confident1 Ų148 Ų481%0.0126%0.256CS..  trans-120.3-131.8-171.700000114.1M52 E69M52-G66 WeakPolarHBondContact CG-O 3.33Å; G66-E69 WeakPolarHBondContact CA-OE2 3.48Å; G66-E69 PolarHBondContact N-OE2 2.97Å
67W89.2Confident89.6Confident11 Ų1150 Ų504%0.04227%0.266CS..SBendtrans-82.5-21.9-171.3-71.296.3000115.3I3 R50 M52 E69 L99 L100 N103 E122 F490I3-W67 HydrophobicContact CD1-CH2 3.51Å; I3-W67 HydrophobicContact CD1-CZ3 3.77Å; I3-W67 HydrophobicContact CG1-CH2 4.45Å; I3-W67 HydrophobicContact CG1-CZ3 4.42Å; R50-W67 PolarHBondContact NH1-O 3.38Å; M52-W67 HydrophobicContact CE-CD2 3.29Å; M52-W67 VanDerWaalsContact CE-CE2 3.45Å; M52-W67 HydrophobicContact CE-CE3 3.49Å; M52-W67 VanDerWaalsContact CE-CE3 3.49Å; M52-W67 HydrophobicContact CE-CG 3.81Å; M52-W67 HydrophobicContact CE-CH2 3.9Å; M52-W67 HydrophobicContact CE-CZ2 3.76Å; M52-W67 HydrophobicContact CE-CZ3 3.78Å; W67-E69 PolarHBondContact N-OE2 3.46Å; W67-E69 VanDerWaalsContact N-OE2 3.1Å; W67-L99 PolarHBondContact NE1-O 3.39Å; W67-L100 HydrophobicContact CZ2-CD2 4.23Å; W67-N103 HydrophobicContact CD2-CB 4.41Å; W67-N103 HydrophobicContact CH2-CB 3.57Å; W67-N103 WeakPolarHBondContact CH2-ND2 3.43Å; W67-N103 HydrophobicContact CZ2-CB 3.26Å; W67-N103 HydrophobicContact CZ3-CB 4.24Å; W67-N103 WeakPolarHBondContact CZ3-ND2 3.22Å; W67-E122 WeakPolarHBondContact CH2-OE1 3.43Å; W67-E122 WeakPolarHBondContact CZ3-OE1 3.48Å; W67-F490 HydrophobicContact CB-CE2 4.15Å; W67-F490 HydrophobicContact CB-CZ 3.85Å; W67-F490 AromaticContact CD1-CE2 3.45Å; W67-F490 VanDerWaalsContact CD1-CE2 3.45Å; W67-F490 AromaticContact CD2-CE2 3.92Å; W67-F490 HydrophobicContact CD2-CE2 3.92Å; W67-F490 HydrophobicContact CD2-CZ 4.24Å; W67-F490 AromaticContact CG-CE2 3.58Å; W67-F490 HydrophobicContact CG-CE2 3.58Å; W67-F490 AromaticContact CG-CZ 3.77Å; W67-F490 HydrophobicContact CG-CZ 3.77Å; W67-F490 AromaticContact NE1-CE2 3.72Å
68K88.2Confident89.7Confident149 Ų14947.5 Ų47.565%0.64825%0.254SS*.SBendtrans-109.6-13.9-172.4-69.7-174.3-178.6174.70113.1C494K68-C494 HydrophobicContact CD-CB 4.03Å; K68-C494 HydrophobicContact CG-CB 4.49Å
69E88.1Confident89.9Confident48 Ų4850.9 Ų50.922%0.22426%0.26CS..  trans-77.1142.5-170.9-64.465.9-145.800110.3A65 G66 W67 V73 V497A65-E69 HydrophobicContact CB-CB 4.27Å; G66-E69 WeakPolarHBondContact CA-OE2 3.48Å; G66-E69 PolarHBondContact N-OE2 2.97Å; W67-E69 PolarHBondContact N-OE2 3.46Å; W67-E69 VanDerWaalsContact N-OE2 3.1Å; E69-V73 HydrophobicContact CB-CB 4.32Å; E69-V73 HydrophobicContact CB-CG1 4.21Å; E69-V73 HydrophobicContact CG-CG1 4.2Å; E69-V497 HydrophobicContact CG-CG1 4.16Å
70S88.9Confident90.2Very high57 Ų5752 Ų5240%0.39926%0.264SS..  trans-77.6164.4175.457.80000110.7T72 V73 F74S70-T72 PolarHBondContact O-N 3.23Å; S70-T72 PolarHBondContact OG-OG1 3.46Å; S70-V73 PolarHBondContact O-N 3.35Å; S70-V73 PolarHBondContact OG-N 2.92Å; S70-F74 PolarHBondContact O-N 2.9Å; S70-F74 VanDerWaalsContact O-N 3.11Å
71Q87.9Confident90.7Very high114 Ų11450.3 Ų50.353%0.53325%0.253SS..Hα-helixtrans-60.6-25.5172.6-173177.1-15.400112.4M75Q71-M75 WeakPolarHBondContact O-CG 3.49Å; Q71-M75 PolarHBondContact O-N 2.92Å; Q71-M75 VanDerWaalsContact O-N 3.09Å
72T88.8Confident90.9Very high91 Ų9151.2 Ų51.256%0.55827%0.265SS*.Hα-helixtrans-67.2-51.6175.953.70000111.3S70 F74 M75 D76S70-T72 PolarHBondContact O-N 3.23Å; S70-T72 PolarHBondContact OG-OG1 3.46Å; T72-F74 PolarHBondContact O-N 2.96Å; T72-M75 PolarHBondContact O-N 3.43Å; T72-D76 PolarHBondContact O-N 3.18Å
73V90.2Very high91Very high58 Ų5851.8 Ų51.835%0.35227%0.27SS..Hα-helixtrans-57.2-41.3175.4176.60000110.8E69 S70 M75 D76 E77E69-V73 HydrophobicContact CB-CB 4.32Å; E69-V73 HydrophobicContact CB-CG1 4.21Å; E69-V73 HydrophobicContact CG-CG1 4.2Å; S70-V73 PolarHBondContact O-N 3.35Å; S70-V73 PolarHBondContact OG-N 2.92Å; V73-M75 PolarHBondContact O-N 3.48Å; V73-D76 PolarHBondContact O-N 3.24Å; V73-E77 HydrophobicContact CG1-CG 4.3Å; V73-E77 WeakPolarHBondContact O-CB 3.42Å; V73-E77 WeakPolarHBondContact O-CG 3.1Å; V73-E77 PolarHBondContact O-N 3.31Å
74F93.2Very high90.9Very high2 Ų254.6 Ų54.61%0.00929%0.29CS..Hα-helixtrans-57.2-45.4174.2171.6-84.7000112.8F6 I32 L36 L53 A65 S70 T72 L78F6-F74 AromaticContact CD2-CE2 3.79Å; F6-F74 HydrophobicContact CD2-CE2 3.79Å; F6-F74 AromaticContact CD2-CZ 3.54Å; F6-F74 HydrophobicContact CD2-CZ 3.54Å; F6-F74 HydrophobicContact CE2-CE2 4.41Å; F6-F74 AromaticContact CE2-CZ 3.88Å; F6-F74 HydrophobicContact CE2-CZ 3.88Å; F6-F74 HydrophobicContact CG-CZ 4.46Å; I32-F74 HydrophobicContact CG2-CE1 4.17Å; I32-F74 HydrophobicContact CG2-CZ 3.92Å; L36-F74 HydrophobicContact CD1-CE1 4.23Å; L36-F74 HydrophobicContact CD1-CZ 4.48Å; L36-F74 HydrophobicContact CD2-CD1 4.19Å; L36-F74 HydrophobicContact CD2-CE1 3.76Å; L53-F74 HydrophobicContact CB-CD2 3.76Å; L53-F74 HydrophobicContact CB-CE2 3.62Å; L53-F74 HydrophobicContact CD1-CE2 4.44Å; L53-F74 HydrophobicContact CG-CE2 4.48Å; A65-F74 HydrophobicContact CB-CB 4.08Å; A65-F74 HydrophobicContact CB-CD2 4.03Å; S70-F74 PolarHBondContact O-N 2.9Å; S70-F74 VanDerWaalsContact O-N 3.11Å; T72-F74 PolarHBondContact O-N 2.96Å; F74-L78 HydrophobicContact CE1-CD2 4.2Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.29Å; F74-L78 PolarHBondContact O-N 2.86Å
75M92.2Very high90.8Very high32 Ų3255.6 Ų55.616%0.15831%0.308CS..Hα-helixtrans-70.9-36.5-179-71-60.4-66.100112.2L36 Q71 T72 V73 L78 R79L36-M75 HydrophobicContact CD2-SD 3.83Å; Q71-M75 WeakPolarHBondContact O-CG 3.49Å; Q71-M75 PolarHBondContact O-N 2.92Å; Q71-M75 VanDerWaalsContact O-N 3.09Å; T72-M75 PolarHBondContact O-N 3.43Å; V73-M75 PolarHBondContact O-N 3.48Å; M75-L78 PolarHBondContact O-N 3.39Å; M75-L78 HydrophobicContact SD-CD2 4.33Å; M75-R79 WeakPolarHBondContact O-CG 3.48Å; M75-R79 PolarHBondContact O-N 3.05Å; M75-R79 VanDerWaalsContact O-N 3.09Å
76D91.8Very high90.7Very high81 Ų8160.9 Ų60.943%0.43333%0.331SS..Hα-helixtrans-67.9-46.2177.9-62.3-25.9000110.4T72 V73 L78 R79 T80T72-D76 PolarHBondContact O-N 3.18Å; V73-D76 PolarHBondContact O-N 3.24Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.43Å; D76-R79 PolarHBondContact O-N 3.1Å; D76-R79 IonicContact OD1-NH1 2.72Å; D76-R79 PolarHBondContact OD1-NH1 3.26Å; D76-T80 PolarHBondContact O-N 3.38Å; D76-T80 VanDerWaalsContact O-N 3.08Å; D76-T80 PolarHBondContact O-OG1 3.04Å
77E92Very high90.7Very high45 Ų4561.2 Ų61.221%0.2133%0.332CS..Hα-helixtrans-61.4-38.5173.3-73.3-64144.900112.5L53 K64 V73 R79 T80 L81L53-E77 HydrophobicContact CD2-CB 4.13Å; K64-E77 HydrophobicContact CB-CB 4.05Å; K64-E77 HydrophobicContact CB-CG 4.22Å; V73-E77 HydrophobicContact CG1-CG 4.3Å; V73-E77 WeakPolarHBondContact O-CB 3.42Å; V73-E77 WeakPolarHBondContact O-CG 3.1Å; V73-E77 PolarHBondContact O-N 3.31Å; E77-R79 VanDerWaalsContact C-N 3.32Å; E77-R79 PolarHBondContact O-N 2.87Å; E77-T80 PolarHBondContact O-N 2.65Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 3.1Å; E77-L81 VanDerWaalsContact O-N 3.17Å
78L93.7Very high90.8Very high5 Ų562.9 Ų62.93%0.02634%0.34CS..Hα-helixtrans-62.3-38.7176.3-177.466.4000112.1K29 I32 L53 F74 M75 D76 L81K29-L78 WeakPolarHBondContact CD-O 3.28Å; K29-L78 WeakPolarHBondContact CE-O 3.34Å; K29-L78 HydrophobicContact CG-CD1 4.21Å; K29-L78 HydrophobicContact CG-CG 4.39Å; I32-L78 HydrophobicContact CB-CD2 4.14Å; I32-L78 HydrophobicContact CD1-CD1 3.84Å; I32-L78 HydrophobicContact CG2-CD1 4.41Å; I32-L78 HydrophobicContact CG2-CD2 3.66Å; L53-L78 HydrophobicContact CD1-CD1 4.19Å; L53-L78 HydrophobicContact CD2-CB 4.1Å; L53-L78 HydrophobicContact CD2-CD1 4.29Å; F74-L78 HydrophobicContact CE1-CD2 4.2Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.29Å; F74-L78 PolarHBondContact O-N 2.86Å; M75-L78 PolarHBondContact O-N 3.39Å; M75-L78 HydrophobicContact SD-CD2 4.33Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 3.43Å; L78-L81 HydrophobicContact CD1-CD1 4.07Å
79R92.2Very high91.1Very high161 Ų16156.2 Ų56.261%0.60831%0.311SS*.Hα-helixtrans-68.3-42.6176.9-71.1175-169.3133.8-4.9111.1K29 M75 D76 E77 L81K29-R79 PolarHBondContact NZ-O 3.44Å; M75-R79 WeakPolarHBondContact O-CG 3.48Å; M75-R79 PolarHBondContact O-N 3.05Å; M75-R79 VanDerWaalsContact O-N 3.09Å; D76-R79 PolarHBondContact O-N 3.1Å; D76-R79 IonicContact OD1-NH1 2.72Å; D76-R79 PolarHBondContact OD1-NH1 3.26Å; E77-R79 VanDerWaalsContact C-N 3.32Å; E77-R79 PolarHBondContact O-N 2.87Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.26Å
80T91.4Very high91.3Very high98 Ų9854.2 Ų54.260%0.60130%0.304SS*.Hα-helixtrans-72.2-12.6-177.6-52.90000114.2D76 E77 S82D76-T80 PolarHBondContact O-N 3.38Å; D76-T80 VanDerWaalsContact O-N 3.08Å; D76-T80 PolarHBondContact O-OG1 3.04Å; E77-T80 PolarHBondContact O-N 2.65Å; T80-S82 PolarHBondContact O-N 2.77Å
81L92.7Very high91.4Very high12 Ų1253.1 Ų53.16%0.06330%0.296CS..  trans-55.6128.4178.6-66.9-175.1000112.4V8 T10 L25 K29 L53 T55 K64 E77 L78 R79V8-L81 HydrophobicContact CB-CD1 4.29Å; V8-L81 HydrophobicContact CG1-CD1 4.22Å; T10-L81 HydrophobicContact CG2-CD2 4.46Å; L25-L81 WeakPolarHBondContact CD2-O 3.28Å; K29-L81 WeakPolarHBondContact CE-O 3.37Å; K29-L81 PolarHBondContact NZ-O 3.28Å; L53-L81 HydrophobicContact CD1-CD1 4.32Å; L53-L81 HydrophobicContact CD2-CD1 4.17Å; L53-L81 HydrophobicContact CD2-CD2 4.39Å; L53-L81 HydrophobicContact CD2-CG 4.38Å; T55-L81 HydrophobicContact CG2-CD2 3.59Å; K64-L81 HydrophobicContact CG-CD2 4.14Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 3.1Å; E77-L81 VanDerWaalsContact O-N 3.17Å; L78-L81 HydrophobicContact CD1-CD1 4.07Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.26Å
82S91.9Very high91.7Very high74 Ų7447.7 Ų47.752%0.51727%0.271SS..  trans-116143.4172.1580000110.7T80 S84T80-S82 PolarHBondContact O-N 2.77Å; S82-S84 PolarHBondContact O-N 2.93Å
83A91.9Very high92Very high13 Ų1343.3 Ų43.311%0.10724%0.244CC..  trans-85.7104.1176.600000110.8T10 S11 M14 N15 L25T10-A83 CarbonylContact O-C 3.47Å; T10-A83 VanDerWaalsContact O-C 3.31Å; T10-A83 VanDerWaalsContact O-CA 3.24Å; T10-A83 WeakPolarHBondContact O-CA 3.28Å; S11-A83 WeakPolarHBondContact O-CB 3.39Å; M14-A83 HydrophobicContact CB-CB 4.07Å; N15-A83 PolarHBondContact ND2-O 3.21Å; N15-A83 WeakPolarHBondContact OD1-CB 3.19Å; L25-A83 HydrophobicContact CD2-CB 3.87Å
84S89.8Confident92.1Very high68 Ų6841 Ų4148%0.47623%0.23SC..  trans-147.6143.7174.562.60000111.3T10 S82T10-S84 CarbonylContact O-C 3.55Å; T10-S84 VanDerWaalsContact O-C 3.28Å; T10-S84 PolarHBondContact O-N 3.25Å; S82-S84 PolarHBondContact O-N 2.93Å
85G88.7Confident92.1Very high47 Ų4742.7 Ų42.749%0.48524%0.24SC..SBendtrans105.4-165.3174.100000114.3S11 A12S11-G85 WeakPolarHBondContact CA-O 3.44Å; A12-G85 PolarHBondContact N-O 3.15Å
86F91.1Very high92.2Very high112 Ų11241.2 Ų41.249%0.49123%0.232SC..  trans-96.5153.9-174.9-59.8-72.3000112.3K88F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 HydrophobicContact CB-CG 4.08Å; F86-K88 PolarHBondContact O-N 3.25Å
87T91.9Very high92.4Very high7 Ų737.4 Ų37.44%0.04321%0.212CC..  trans-80.170177.7-42.30000110.5D9 S11 F56 L89 I135 T136D9-T87 WeakPolarHBondContact OD2-CG2 3.48Å; S11-T87 VanDerWaalsContact CB-OG1 3.26Å; S11-T87 WeakPolarHBondContact CB-OG1 3.3Å; S11-T87 PolarHBondContact OG-OG1 2.94Å; F56-T87 HydrophobicContact CD2-CG2 4.23Å; F56-T87 HydrophobicContact CE2-CG2 3.89Å; T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.31Å; T87-I135 WeakPolarHBondContact O-CG2 3.07Å; T87-T136 CarbonylContact C-O 3.31Å; T87-T136 WeakPolarHBondContact CB-OG1 3.27Å; T87-T136 PolarHBondContact N-OG1 3.35Å; T87-T136 PolarHBondContact O-N 3.08Å; T87-T136 PolarHBondContact OG1-OG1 3.48Å
88K90.9Very high92.4Very high47 Ų4737.3 Ų37.320%0.20421%0.211CC..  trans-84.352.7-177.1-58.8179.3172.6178.40114D58 F86 G90 S91 A92D58-K88 IonicContact OD1-NZ 3Å; D58-K88 PolarHBondContact OD1-NZ 3.1Å; D58-K88 IonicContact OD2-NZ 3.41Å; D58-K88 PolarHBondContact OD2-NZ 3.39Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 HydrophobicContact CB-CG 4.08Å; F86-K88 PolarHBondContact O-N 3.25Å; K88-G90 VanDerWaalsContact C-N 3.35Å; K88-G90 PolarHBondContact O-N 3.22Å; K88-S91 VanDerWaalsContact CB-OG 3.26Å; K88-S91 WeakPolarHBondContact CB-OG 3.48Å; K88-S91 PolarHBondContact O-N 3.05Å; K88-S91 PolarHBondContact O-OG 3.25Å; K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3Å
89L92.9Very high92.4Very high8 Ų837.2 Ų37.24%0.04221%0.211CC..Hα-helixtrans-51.6-45.4-172179.562.8000114.1F56 T87 A92 L93 V128 I135 L145 I197F56-L89 HydrophobicContact CE1-CD1 4.32Å; F56-L89 HydrophobicContact CE2-CB 3.89Å; F56-L89 HydrophobicContact CE2-CD1 3.97Å; F56-L89 HydrophobicContact CZ-CB 4.31Å; F56-L89 HydrophobicContact CZ-CD1 3.49Å; F56-L89 VanDerWaalsContact CZ-CD1 3.49Å; F56-L89 HydrophobicContact CZ-CG 4.5Å; T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.31Å; L89-A92 PolarHBondContact O-N 3.11Å; L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 3.95Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.3Å; L89-V128 HydrophobicContact CD1-CG1 4.01Å; L89-I135 HydrophobicContact CB-CD1 4.49Å; L89-I135 HydrophobicContact CB-CG1 4.44Å; L89-I135 HydrophobicContact CB-CG2 4.44Å; L89-I135 HydrophobicContact CD2-CD1 4.3Å; L89-L145 HydrophobicContact CB-CD1 4.2Å; L89-L145 HydrophobicContact CD2-CD1 3.89Å; L89-L145 HydrophobicContact CD2-CD2 4.21Å; L89-L145 HydrophobicContact CG-CD1 3.81Å; L89-I197 HydrophobicContact CD1-CD1 4.11Å; L89-I197 HydrophobicContact CD2-CB 4.31Å; L89-I197 HydrophobicContact CD2-CD1 4.12Å
90G92.1Very high92.4Very high7 Ų729.7 Ų29.77%0.07218%0.183CC..Hα-helixtrans-61.9-47.1-17900000113.2K88 L93 S94 D146K88-G90 VanDerWaalsContact C-N 3.35Å; K88-G90 PolarHBondContact O-N 3.22Å; G90-L93 PolarHBondContact O-N 2.84Å; G90-S94 PolarHBondContact O-N 3.11Å; G90-D146 WeakPolarHBondContact CA-O 3.43Å
91S92.2Very high92.5Very high33 Ų3325.9 Ų25.923%0.23116%0.159CC..Hα-helixtrans-67-38.2177.571.70000112.4K88 L93 S94 N95K88-S91 VanDerWaalsContact CB-OG 3.26Å; K88-S91 WeakPolarHBondContact CB-OG 3.48Å; K88-S91 PolarHBondContact O-N 3.05Å; K88-S91 PolarHBondContact O-OG 3.25Å; S91-L93 PolarHBondContact O-N 3.33Å; S91-S94 PolarHBondContact O-N 3.47Å; S91-N95 WeakPolarHBondContact O-CB 3.46Å; S91-N95 VanDerWaalsContact O-CG 3.26Å; S91-N95 PolarHBondContact O-N 3.4Å; S91-N95 PolarHBondContact O-ND2 3.28Å
92A93.8Very high92.5Very high0 Ų025.5 Ų25.50%016%0.157CC..Hα-helixtrans-63.5-43.7178.300000111.1L7 F56 K88 L89 N95 A96L7-A92 HydrophobicContact CD1-CB 4.17Å; L7-A92 HydrophobicContact CD2-CB 4.16Å; F56-A92 HydrophobicContact CB-CB 4.4Å; F56-A92 HydrophobicContact CD1-CB 3.69Å; F56-A92 HydrophobicContact CE1-CB 4.18Å; F56-A92 HydrophobicContact CG-CB 3.95Å; K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3Å; L89-A92 PolarHBondContact O-N 3.11Å; A92-N95 PolarHBondContact O-N 3.5Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.02Å
93L94.6Very high92.5Very high0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-64.3-43.5173.7-74.5169000112.1L7 L89 G90 S91 N95 A96 F97 V128 L145 M200L7-L93 HydrophobicContact CD2-CD2 3.68Å; L7-L93 HydrophobicContact CD2-CG 3.98Å; L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 3.95Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.3Å; G90-L93 PolarHBondContact O-N 2.84Å; S91-L93 PolarHBondContact O-N 3.33Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 3.14Å; L93-A96 PolarHBondContact O-N 3.37Å; L93-F97 HydrophobicContact CB-CE2 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.34Å; L93-F97 PolarHBondContact O-N 3.02Å; L93-V128 HydrophobicContact CD2-CG2 4Å; L93-L145 HydrophobicContact CD1-CD1 4.43Å; L93-L145 HydrophobicContact CD1-CD2 4.19Å; L93-M200 HydrophobicContact CB-CE 4.2Å; L93-M200 HydrophobicContact CD1-CE 3.96Å; L93-M200 HydrophobicContact CD1-SD 3.65Å; L93-M200 HydrophobicContact CD2-CE 4.46Å; L93-M200 HydrophobicContact CG-CE 4.46Å
94S93.7Very high92.5Very high9 Ų922.4 Ų22.46%0.06313%0.132CC..Hα-helixtrans-58.6-46.3176.2-174.60000111.9G90 S91 A96 F97 H98 P148G90-S94 PolarHBondContact O-N 3.11Å; S91-S94 PolarHBondContact O-N 3.47Å; S94-A96 PolarHBondContact O-N 3.14Å; S94-F97 PolarHBondContact O-N 2.72Å; S94-H98 WeakPolarHBondContact O-CB 3.41Å; S94-H98 PolarHBondContact O-N 3.01Å; S94-P148 VanDerWaalsContact CB-O 3.3Å; S94-P148 WeakPolarHBondContact CB-O 3.44Å; S94-P148 PolarHBondContact OG-O 3.31Å
95N93.2Very high92.6Very high38 Ų3820 Ų2020%0.20311%0.114CC..Hα-helixtrans-63.4-40176.9-69-18.9000111.9N62 S91 A92 L93 H98 L99N62-N95 WeakPolarHBondContact ND2-CB 3.43Å; S91-N95 WeakPolarHBondContact O-CB 3.46Å; S91-N95 VanDerWaalsContact O-CG 3.26Å; S91-N95 PolarHBondContact O-N 3.4Å; S91-N95 PolarHBondContact O-ND2 3.28Å; A92-N95 PolarHBondContact O-N 3.5Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 3.14Å; N95-H98 PolarHBondContact O-N 3Å; N95-L99 WeakPolarHBondContact O-CB 3.29Å; N95-L99 PolarHBondContact O-N 3.43Å
96A94.6Very high92.7Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-61.8-44.717500000112.1L5 L54 A92 L93 S94 L99 L100L5-A96 HydrophobicContact CD1-CB 4.17Å; L5-A96 HydrophobicContact CD2-CB 4.05Å; L54-A96 HydrophobicContact CD2-CB 3.82Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.02Å; L93-A96 PolarHBondContact O-N 3.37Å; S94-A96 PolarHBondContact O-N 3.14Å; A96-L99 PolarHBondContact O-N 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.41Å; A96-L100 PolarHBondContact O-N 3.36Å
97F94.4Very high92.6Very high2 Ų216.8 Ų16.81%0.0099%0.094CC..Hα-helixtrans-67.7-38.5175.1-70.7-57.4000112.8L93 S94 L99 L100 N101 V126 P161 F162 I168 M200L93-F97 HydrophobicContact CB-CE2 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.34Å; L93-F97 PolarHBondContact O-N 3.02Å; S94-F97 PolarHBondContact O-N 2.72Å; F97-L99 VanDerWaalsContact C-N 3.34Å; F97-L99 PolarHBondContact O-N 3.23Å; F97-L100 PolarHBondContact O-N 3.33Å; F97-N101 WeakPolarHBondContact O-CB 3.23Å; F97-N101 PolarHBondContact O-N 2.83Å; F97-N101 PolarHBondContact O-ND2 3.47Å; F97-V126 HydrophobicContact CE1-CG2 4.49Å; F97-P161 HydrophobicContact CB-CB 4.43Å; F97-P161 WeakPolarHBondContact CB-O 3.09Å; F97-P161 HydrophobicContact CD2-CB 4.14Å; F97-P161 HydrophobicContact CD2-CG 4.4Å; F97-P161 HydrophobicContact CG-CB 4.41Å; F97-F162 HydrophobicContact CD1-CB 3.84Å; F97-F162 HydrophobicContact CE1-CB 3.53Å; F97-F162 HydrophobicContact CZ-CB 3.99Å; F97-I168 HydrophobicContact CE2-CD1 4.23Å; F97-I168 HydrophobicContact CZ-CD1 3.58Å; F97-I168 HydrophobicContact CZ-CG1 3.92Å; F97-M200 HydrophobicContact CD2-CE 4.28Å; F97-M200 HydrophobicContact CE2-CE 3.3Å; F97-M200 HydrophobicContact CZ-CE 3.94Å
98H92.9Very high92.3Very high43 Ų4318.1 Ų18.120%0.19911%0.109CC..Hα-helixtrans-58.3-48.5175.6178.757.7000110.6S94 N95 L100 N101 I102 S150S94-H98 WeakPolarHBondContact O-CB 3.41Å; S94-H98 PolarHBondContact O-N 3.01Å; N95-H98 PolarHBondContact O-N 3Å; H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.46Å; H98-N101 PolarHBondContact O-N 2.96Å; H98-I102 WeakPolarHBondContact CE1-CD1 3.4Å; H98-I102 WeakPolarHBondContact NE2-CD1 3.39Å; H98-I102 WeakPolarHBondContact O-CD1 3.38Å; H98-I102 WeakPolarHBondContact O-CG1 3.35Å; H98-I102 PolarHBondContact O-N 3.23Å; H98-S150 PolarHBondContact ND1-OG 3.05Å
99L92.5Very high92.2Very high2 Ų217.8 Ų17.81%0.0111%0.109CC..Hα-helixtrans-54.9-44.6175.7178.860.2000113.2L5 M52 L54 V63 W67 N95 A96 F97 L493L5-L99 HydrophobicContact CD1-CD2 4.28Å; M52-L99 HydrophobicContact SD-CD2 4.19Å; L54-L99 HydrophobicContact CD1-CD2 3.71Å; L54-L99 HydrophobicContact CD2-CD2 4.09Å; L54-L99 HydrophobicContact CG-CD2 4.41Å; V63-L99 HydrophobicContact CG1-CD2 4.39Å; V63-L99 HydrophobicContact CG2-CD2 4.46Å; W67-L99 PolarHBondContact NE1-O 3.39Å; N95-L99 WeakPolarHBondContact O-CB 3.29Å; N95-L99 PolarHBondContact O-N 3.43Å; A96-L99 PolarHBondContact O-N 3.27Å; F97-L99 VanDerWaalsContact C-N 3.34Å; F97-L99 PolarHBondContact O-N 3.23Å; L99-L493 HydrophobicContact CD1-CD1 3.85Å; L99-L493 HydrophobicContact CD1-CD2 3.15Å; L99-L493 HydrophobicContact CD1-CG 4.15Å
100L93.7Very high91.9Very high4 Ų418.4 Ų18.42%0.02111%0.112CC..Hα-helixtrans-71.2-43.6179.7-67.7174.5000111.9I3 L5 M52 W67 A96 F97 H98 N103 R104 A124 V126I3-L100 HydrophobicContact CG2-CD2 3.96Å; L5-L100 HydrophobicContact CD1-CD1 4.3Å; L5-L100 HydrophobicContact CD1-CD2 4.27Å; L5-L100 HydrophobicContact CD1-CG 4.15Å; M52-L100 HydrophobicContact SD-CD2 4.42Å; W67-L100 HydrophobicContact CZ2-CD2 4.23Å; A96-L100 WeakPolarHBondContact O-CG 3.41Å; A96-L100 PolarHBondContact O-N 3.36Å; F97-L100 PolarHBondContact O-N 3.33Å; H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.46Å; L100-N103 PolarHBondContact O-N 3.43Å; L100-R104 PolarHBondContact O-N 2.93Å; L100-A124 HydrophobicContact CD1-CB 3.88Å; L100-A124 HydrophobicContact CD2-CB 3.99Å; L100-V126 HydrophobicContact CD1-CG2 4.05Å
101N93.8Very high91.7Very high18 Ų1819 Ų1910%0.09611%0.114CC..Hα-helixtrans-74.2-33.2-173.6-68.9-22.3000113F97 H98 N103 R104 L105 P161 R163 Q166F97-N101 WeakPolarHBondContact O-CB 3.23Å; F97-N101 PolarHBondContact O-N 2.83Å; F97-N101 PolarHBondContact O-ND2 3.47Å; H98-N101 PolarHBondContact O-N 2.96Å; N101-N103 PolarHBondContact O-N 3.23Å; N101-R104 WeakPolarHBondContact O-CB 3.2Å; N101-R104 PolarHBondContact O-N 2.85Å; N101-R104 VanDerWaalsContact O-N 3.13Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.25Å; N101-P161 PolarHBondContact ND2-O 3.2Å; N101-R163 WeakPolarHBondContact OD1-CG 3.41Å; N101-Q166 PolarHBondContact OD1-NE2 2.95Å
102I92Very high91.5Very high4 Ų418 Ų182%0.02111%0.105CC..Hα-helixtrans-57.1-41.6173.9-70163.7000110.2H98 R104 L105 Q106 A486 F490 L493H98-I102 WeakPolarHBondContact CE1-CD1 3.4Å; H98-I102 WeakPolarHBondContact NE2-CD1 3.39Å; H98-I102 WeakPolarHBondContact O-CD1 3.38Å; H98-I102 WeakPolarHBondContact O-CG1 3.35Å; H98-I102 PolarHBondContact O-N 3.23Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.36Å; I102-L105 PolarHBondContact O-N 3.43Å; I102-Q106 PolarHBondContact O-N 2.92Å; I102-A486 WeakPolarHBondContact CG2-O 3.23Å; I102-F490 HydrophobicContact CG2-CB 3.62Å; I102-F490 HydrophobicContact CG2-CD2 4.11Å; I102-F490 HydrophobicContact CG2-CG 4.38Å; I102-L493 HydrophobicContact CD1-CD1 4.25Å
103N92.1Very high91.2Very high20 Ų2018 Ų1811%0.10711%0.105CC..Hα-helixtrans-64.3-37.7178.5-168.167.7000112.5W67 L100 N101 Q106 S107 E122 F490W67-N103 HydrophobicContact CD2-CB 4.41Å; W67-N103 HydrophobicContact CH2-CB 3.57Å; W67-N103 WeakPolarHBondContact CH2-ND2 3.43Å; W67-N103 HydrophobicContact CZ2-CB 3.26Å; W67-N103 HydrophobicContact CZ3-CB 4.24Å; W67-N103 WeakPolarHBondContact CZ3-ND2 3.22Å; L100-N103 PolarHBondContact O-N 3.43Å; N101-N103 PolarHBondContact O-N 3.23Å; N103-Q106 VanDerWaalsContact O-CG 3.23Å; N103-Q106 WeakPolarHBondContact O-CG 3.34Å; N103-Q106 PolarHBondContact OD1-NE2 3.47Å; N103-S107 WeakPolarHBondContact O-CB 3.3Å; N103-S107 PolarHBondContact O-N 3.21Å; N103-S107 VanDerWaalsContact O-N 3.08Å; N103-S107 PolarHBondContact O-OG 2.86Å; N103-E122 PolarHBondContact ND2-OE1 2.87Å; N103-E122 PolarHBondContact ND2-OE2 3.41Å; N103-F490 HydrophobicContact CB-CD2 4.38Å; N103-F490 HydrophobicContact CB-CE2 4.06Å; N103-F490 WeakPolarHBondContact OD1-CE2 3.47Å
104R91.9Very high91Very high1 Ų120.7 Ų20.70%0.00412%0.118CC..Hα-helixtrans-65.6-41.1174.5-62.3-179.767.185.30.8112.4L100 N101 I102 S107 G108 I109 D110 E122 D165L100-R104 PolarHBondContact O-N 2.93Å; N101-R104 WeakPolarHBondContact O-CB 3.2Å; N101-R104 PolarHBondContact O-N 2.85Å; N101-R104 VanDerWaalsContact O-N 3.13Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.36Å; R104-S107 WeakPolarHBondContact CA-OG 3.49Å; R104-S107 PolarHBondContact O-OG 2.88Å; R104-G108 PolarHBondContact O-N 3.42Å; R104-I109 PolarHBondContact O-N 3.45Å; R104-D110 IonicContact CZ-OD1 2.78Å; R104-D110 IonicContact CZ-OD2 3.62Å; R104-D110 IonicContact NE-OD1 2.72Å; R104-D110 PolarHBondContact NE-OD1 2.93Å; R104-D110 IonicContact NE-OD2 2.72Å; R104-D110 PolarHBondContact NE-OD2 3.41Å; R104-D110 VanDerWaalsContact NE-OD2 3.1Å; R104-D110 IonicContact NH2-OD1 2.61Å; R104-D110 PolarHBondContact NH2-OD1 2.98Å; R104-D110 IonicContact NH2-OD2 3.68Å; R104-E122 WeakPolarHBondContact CG-OE2 3.45Å; R104-D165 IonicContact CZ-OD1 3.39Å; R104-D165 IonicContact CZ-OD2 3.07Å; R104-D165 VanDerWaalsContact NH1-CG 3.28Å; R104-D165 IonicContact NH1-OD1 2.69Å; R104-D165 PolarHBondContact NH1-OD1 3.35Å; R104-D165 VanDerWaalsContact NH1-OD1 3.08Å; R104-D165 IonicContact NH1-OD2 3.92Å; R104-D165 PolarHBondContact NH1-OD2 3.31Å; R104-D165 IonicContact NH2-OD1 3.47Å; R104-D165 IonicContact NH2-OD2 3.97Å
105L91.3Very high90.8Very high18 Ų1820.2 Ų20.29%0.09412%0.115CC..Hα-helixtrans-67.9-43.2179.1-69.9174.6000111.6N101 I102 G108 F112 V482 A486N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.25Å; I102-L105 PolarHBondContact O-N 3.43Å; L105-G108 PolarHBondContact O-N 2.85Å; L105-F112 HydrophobicContact CD2-CE2 4.2Å; L105-V482 HydrophobicContact CD1-CG1 4.4Å; L105-V482 HydrophobicContact CD2-CG1 4.02Å; L105-A486 HydrophobicContact CB-CB 3.56Å
106Q91.2Very high90.8Very high39 Ų3919.1 Ų19.118%0.18211%0.107CC..Hα-helixtrans-67.8-36.7177.271.9169.9-16.400112.6I102 N103 G108 K483 A486 K487 F490I102-Q106 PolarHBondContact O-N 2.92Å; N103-Q106 VanDerWaalsContact O-CG 3.23Å; N103-Q106 WeakPolarHBondContact O-CG 3.34Å; N103-Q106 PolarHBondContact OD1-NE2 3.47Å; Q106-G108 VanDerWaalsContact C-N 3.3Å; Q106-K483 WeakPolarHBondContact O-CE 3.32Å; Q106-A486 HydrophobicContact CB-CB 4.38Å; Q106-K487 HydrophobicContact CB-CB 4.29Å; Q106-F490 VanDerWaalsContact CD-CG 3.42Å; Q106-F490 VanDerWaalsContact OE1-CG 3.32Å
107S88.3Confident90.6Very high53 Ų5320.5 Ų20.537%0.37111%0.113SC..Hα-helixtrans-74.7-24.817956.50000111.7N103 R104 I109N103-S107 WeakPolarHBondContact O-CB 3.3Å; N103-S107 PolarHBondContact O-N 3.21Å; N103-S107 VanDerWaalsContact O-N 3.08Å; N103-S107 PolarHBondContact O-OG 2.86Å; R104-S107 WeakPolarHBondContact CA-OG 3.49Å; R104-S107 PolarHBondContact O-OG 2.88Å; S107-I109 WeakPolarHBondContact OG-CD1 3.35Å; S107-I109 WeakPolarHBondContact OG-CG1 3.37Å
108G85.8Confident90.4Very high34 Ų3420.4 Ų20.435%0.35111%0.113SC..THydrogen-bonded Turntrans75.924.9-179.600000113.2R104 L105 Q106 D110R104-G108 PolarHBondContact O-N 3.42Å; L105-G108 PolarHBondContact O-N 2.85Å; Q106-G108 VanDerWaalsContact C-N 3.3Å; G108-D110 VanDerWaalsContact C-N 3.29Å
109I88.5Confident90.1Very high41 Ų4120.1 Ų20.121%0.2111%0.111CC..  trans-66.6-34.4178.1-66.5170000110.7R104 S107 N111 W120 E122R104-I109 PolarHBondContact O-N 3.45Å; S107-I109 WeakPolarHBondContact OG-CD1 3.35Å; S107-I109 WeakPolarHBondContact OG-CG1 3.37Å; I109-N111 PolarHBondContact O-N 2.95Å; I109-W120 HydrophobicContact CG2-CB 4.07Å; I109-W120 WeakPolarHBondContact CG2-O 3.47Å; I109-E122 HydrophobicContact CD1-CB 4.06Å
110D87.8Confident89.8Confident21 Ų2125.9 Ų25.911%0.11213%0.133CC..SBendtrans-79.497.7175.7-73.3-33.1000110.9R104 G108 F112 R163R104-D110 IonicContact CZ-OD1 2.78Å; R104-D110 IonicContact CZ-OD2 3.62Å; R104-D110 IonicContact NE-OD1 2.72Å; R104-D110 PolarHBondContact NE-OD1 2.93Å; R104-D110 IonicContact NE-OD2 2.72Å; R104-D110 PolarHBondContact NE-OD2 3.41Å; R104-D110 VanDerWaalsContact NE-OD2 3.1Å; R104-D110 IonicContact NH2-OD1 2.61Å; R104-D110 PolarHBondContact NH2-OD1 2.98Å; R104-D110 IonicContact NH2-OD2 3.68Å; G108-D110 VanDerWaalsContact C-N 3.29Å; D110-F112 HydrophobicContact CB-CD2 4.41Å; D110-F112 HydrophobicContact CB-CE2 3.75Å; D110-F112 HydrophobicContact CB-CZ 3.95Å; D110-F112 VanDerWaalsContact O-CD2 3.32Å; D110-F112 WeakPolarHBondContact O-CD2 3.4Å; D110-F112 PolarHBondContact O-N 3.33Å; D110-F112 VanDerWaalsContact O-N 3.16Å; D110-R163 IonicContact OD2-CZ 3Å; D110-R163 IonicContact OD2-NE 3.84Å; D110-R163 IonicContact OD2-NH1 3.4Å; D110-R163 PolarHBondContact OD2-NH1 3.48Å
111N86.6Confident89.5Confident20 Ų2027.4 Ų27.411%0.10714%0.141CC..  trans-89.773.9-172.365.1-33.6000112.6I109 G113 H114 G115 Y117 W120 R324I109-N111 PolarHBondContact O-N 2.95Å; N111-G113 PolarHBondContact O-N 3.43Å; N111-H114 HydrophobicContact CB-CB 4.25Å; N111-H114 PolarHBondContact ND2-O 2.96Å; N111-H114 PolarHBondContact O-N 3.41Å; N111-G115 PolarHBondContact ND2-O 3.16Å; N111-G115 PolarHBondContact OD1-O 2.94Å; N111-Y117 VanDerWaalsContact ND2-CD2 3.35Å; N111-Y117 WeakPolarHBondContact ND2-CD2 3.19Å; N111-W120 HydrophobicContact CB-CE3 4Å; N111-W120 HydrophobicContact CB-CZ3 3.59Å; N111-W120 WeakPolarHBondContact ND2-CZ3 3.4Å; N111-R324 PolarHBondContact O-NH1 3.46Å; N111-R324 PolarHBondContact O-NH2 3.09Å
112F89.7Confident89.3Confident11 Ų1127.8 Ų27.85%0.04814%0.142CC..THydrogen-bonded Turntrans-54.4128.6179.4-60.8-74.9000112.9L105 D110 H114 L157 I158 L321 R324 L479L105-F112 HydrophobicContact CD2-CE2 4.2Å; D110-F112 HydrophobicContact CB-CD2 4.41Å; D110-F112 HydrophobicContact CB-CE2 3.75Å; D110-F112 HydrophobicContact CB-CZ 3.95Å; D110-F112 VanDerWaalsContact O-CD2 3.32Å; D110-F112 WeakPolarHBondContact O-CD2 3.4Å; D110-F112 PolarHBondContact O-N 3.33Å; D110-F112 VanDerWaalsContact O-N 3.16Å; F112-H114 VanDerWaalsContact C-N 3.34Å; F112-H114 PolarHBondContact O-N 3.2Å; F112-H114 PolarHBondContact O-ND1 2.72Å; F112-L157 HydrophobicContact CD1-CB 3.99Å; F112-L157 HydrophobicContact CD1-CD1 4.22Å; F112-L157 HydrophobicContact CD2-CD1 3.66Å; F112-L157 HydrophobicContact CE1-CB 3.55Å; F112-L157 HydrophobicContact CE1-CD1 4.2Å; F112-L157 HydrophobicContact CE1-CG 4.48Å; F112-L157 HydrophobicContact CE2-CB 4.35Å; F112-L157 HydrophobicContact CE2-CD1 3.62Å; F112-L157 HydrophobicContact CG-CD1 3.95Å; F112-L157 HydrophobicContact CZ-CB 3.73Å; F112-L157 HydrophobicContact CZ-CD1 3.89Å; F112-L157 HydrophobicContact CZ-CG 4.48Å; F112-I158 HydrophobicContact CE1-CD1 4.1Å; F112-I158 HydrophobicContact CE1-CG1 3.82Å; F112-I158 HydrophobicContact CZ-CD1 4.35Å; F112-I158 HydrophobicContact CZ-CG1 4.13Å; F112-L321 HydrophobicContact CB-CD1 3.81Å; F112-R324 VanDerWaalsContact CA-CZ 3.45Å; F112-L479 HydrophobicContact CB-CD1 4.17Å; F112-L479 HydrophobicContact CB-CD2 3.87Å; F112-L479 HydrophobicContact CD2-CD2 3.97Å; F112-L479 HydrophobicContact CG-CD2 4.25Å
113G87.2Confident89.2Confident0 Ų028.3 Ų28.30%015%0.146CC..THydrogen-bonded Turntrans78.2-1.4-178.200000117.1N111 Y445 F470N111-G113 PolarHBondContact O-N 3.43Å; G113-Y445 VanDerWaalsContact O-CD1 3.3Å; G113-Y445 WeakPolarHBondContact O-CD1 3.5Å; G113-F470 WeakPolarHBondContact O-CZ 3.42Å
114H89.1Confident89.3Confident56 Ų5627.5 Ų27.526%0.25914%0.141SC..SBendtrans-115.326.1-173-67.280000114.1N111 F112 F470N111-H114 HydrophobicContact CB-CB 4.25Å; N111-H114 PolarHBondContact ND2-O 2.96Å; N111-H114 PolarHBondContact O-N 3.41Å; F112-H114 VanDerWaalsContact C-N 3.34Å; F112-H114 PolarHBondContact O-N 3.2Å; F112-H114 PolarHBondContact O-ND1 2.72Å; H114-F470 AromaticContact CD2-CE1 3.62Å; H114-F470 AromaticContact CD2-CZ 3.66Å; H114-F470 AromaticContact NE2-CE1 3.53Å; H114-F470 AromaticContact NE2-CZ 3.68Å
115G90.9Very high89.4Confident0 Ų027.8 Ų27.80%014%0.143CC..  trans69.9-177.2-17000000112.3N111 I308 E310N111-G115 PolarHBondContact ND2-O 3.16Å; N111-G115 PolarHBondContact OD1-O 2.94Å; G115-I308 CarbonylContact C-O 3.57Å; G115-I308 WeakPolarHBondContact CA-O 3.25Å; G115-E310 WeakPolarHBondContact CA-OE1 3.39Å; G115-E310 PolarHBondContact N-OE1 3.12Å
116R92.3Very high89.7Confident14 Ų1426.9 Ų26.95%0.05314%0.139CC..BIsolated β-bridgetrans-119.9116.1177.9-56.4-177.6-170.1-157.85110.7P118 W164 P307 I308 T325 A326R116-P118 WeakPolarHBondContact O-CD 3.42Å; R116-W164 HydrophobicContact CB-CH2 3.93Å; R116-W164 HydrophobicContact CB-CZ2 4.32Å; R116-W164 HydrophobicContact CB-CZ3 4.22Å; R116-P307 CarbonylContact O-C 3.55Å; R116-P307 WeakPolarHBondContact O-CA 3.44Å; R116-I308 HydrophobicContact CB-CB 4.43Å; R116-I308 PolarHBondContact N-O 2.94Å; R116-I308 PolarHBondContact O-N 3.45Å; R116-T325 PolarHBondContact NH1-O 3.11Å; R116-T325 PolarHBondContact NH2-O 3.25Å; R116-A326 PolarHBondContact NH1-O 3.32Å
117Y91.1Very high90Very high30 Ų3025 Ų2512%0.11813%0.13CC..  trans-89.5117.7177.8-70.9-83.6000110.8N111 H119 W120 P307N111-Y117 VanDerWaalsContact ND2-CD2 3.35Å; N111-Y117 WeakPolarHBondContact ND2-CD2 3.19Å; Y117-H119 PolarHBondContact O-N 3.34Å; Y117-W120 AromaticContact CD2-CD2 3.97Å; Y117-W120 HydrophobicContact CD2-CD2 3.97Å; Y117-W120 AromaticContact CD2-CE3 3.75Å; Y117-W120 HydrophobicContact CD2-CE3 3.75Å; Y117-W120 AromaticContact CD2-CH2 3.8Å; Y117-W120 HydrophobicContact CD2-CH2 3.8Å; Y117-W120 HydrophobicContact CD2-CZ2 4.02Å; Y117-W120 AromaticContact CD2-CZ3 3.66Å; Y117-W120 HydrophobicContact CD2-CZ3 3.66Å; Y117-W120 AromaticContact CE2-CH2 3.92Å; Y117-W120 HydrophobicContact CE2-CH2 3.92Å; Y117-W120 HydrophobicContact CE2-CZ2 4.3Å; Y117-W120 HydrophobicContact CE2-CZ3 4.09Å; Y117-W120 HydrophobicContact CG-CD2 4.13Å; Y117-W120 HydrophobicContact CG-CE3 4.34Å; Y117-W120 HydrophobicContact CG-CZ2 4.42Å; Y117-W120 PolarHBondContact O-N 3.13Å; Y117-W120 VanDerWaalsContact O-N 3.11Å; Y117-P307 HydrophobicContact CD1-CB 4.04Å; Y117-P307 HydrophobicContact CD2-CB 4.23Å; Y117-P307 HydrophobicContact CE1-CB 3.8Å; Y117-P307 HydrophobicContact CE1-CG 4.01Å; Y117-P307 HydrophobicContact CE2-CB 3.96Å; Y117-P307 HydrophobicContact CE2-CG 4.39Å; Y117-P307 HydrophobicContact CG-CB 4.26Å
118P89.5Confident90.4Very high0 Ų022.5 Ų22.50%011%0.113CC..THydrogen-bonded Turntrans-64.4-11.2179.5-22.834.6000114.7R116 L121 W164 I291 V293 I308 Y350R116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-L121 WeakPolarHBondContact O-CD1 3.34Å; P118-L121 VanDerWaalsContact O-CD2 3.25Å; P118-L121 WeakPolarHBondContact O-CD2 3.24Å; P118-L121 WeakPolarHBondContact O-CG 3.46Å; P118-W164 HydrophobicContact CB-CH2 4.24Å; P118-W164 HydrophobicContact CG-CH2 4.18Å; P118-I291 HydrophobicContact CB-CD1 4.41Å; P118-V293 HydrophobicContact CB-CG2 4.19Å; P118-V293 WeakPolarHBondContact O-CG1 3.49Å; P118-V293 WeakPolarHBondContact O-CG2 3.38Å; P118-I308 HydrophobicContact CG-CD1 4.09Å; P118-I308 HydrophobicContact CG-CG1 4.21Å; P118-Y350 HydrophobicContact CB-CE1 4.07Å; P118-Y350 HydrophobicContact CB-CE2 4.19Å; P118-Y350 HydrophobicContact CG-CE2 3.91Å
119H86.1Confident90.8Very high36 Ų3620.9 Ų20.917%0.16710%0.096CC..THydrogen-bonded Turntrans-93.7-14.7175.6-68.7-2000114Y117 L121 V293 A302 S304 Y350Y117-H119 PolarHBondContact O-N 3.34Å; H119-L121 PolarHBondContact O-N 3.26Å; H119-V293 WeakPolarHBondContact ND1-CG1 3.44Å; H119-A302 PolarHBondContact CD2-O 3.34Å; H119-A302 VanDerWaalsContact CD2-O 3.24Å; H119-S304 VanDerWaalsContact CD2-CB 3.46Å; H119-S304 WeakPolarHBondContact CD2-CB 3.32Å; H119-S304 PolarHBondContact CD2-N 3.08Å; H119-S304 PolarHBondContact NE2-N 3.42Å; H119-Y350 AromaticContact CE1-CE1 3.5Å; H119-Y350 AromaticContact CE1-CZ 3.93Å; H119-Y350 PolarHBondContact CE1-OH 3.14Å; H119-Y350 AromaticContact ND1-CE1 3.86Å
120W87.2Confident91.1Very high124 Ų12419.3 Ų19.347%0.479%0.088SC..SBendtrans-82.773.9175.7-67.61.9000108.5I109 N111 Y117I109-W120 HydrophobicContact CG2-CB 4.07Å; I109-W120 WeakPolarHBondContact CG2-O 3.47Å; N111-W120 HydrophobicContact CB-CE3 4Å; N111-W120 HydrophobicContact CB-CZ3 3.59Å; N111-W120 WeakPolarHBondContact ND2-CZ3 3.4Å; Y117-W120 AromaticContact CD2-CD2 3.97Å; Y117-W120 HydrophobicContact CD2-CD2 3.97Å; Y117-W120 AromaticContact CD2-CE3 3.75Å; Y117-W120 HydrophobicContact CD2-CE3 3.75Å; Y117-W120 AromaticContact CD2-CH2 3.8Å; Y117-W120 HydrophobicContact CD2-CH2 3.8Å; Y117-W120 HydrophobicContact CD2-CZ2 4.02Å; Y117-W120 AromaticContact CD2-CZ3 3.66Å; Y117-W120 HydrophobicContact CD2-CZ3 3.66Å; Y117-W120 AromaticContact CE2-CH2 3.92Å; Y117-W120 HydrophobicContact CE2-CH2 3.92Å; Y117-W120 HydrophobicContact CE2-CZ2 4.3Å; Y117-W120 HydrophobicContact CE2-CZ3 4.09Å; Y117-W120 HydrophobicContact CG-CD2 4.13Å; Y117-W120 HydrophobicContact CG-CE3 4.34Å; Y117-W120 HydrophobicContact CG-CZ2 4.42Å; Y117-W120 PolarHBondContact O-N 3.13Å; Y117-W120 VanDerWaalsContact O-N 3.11Å
121L87.1Confident91.3Very high36 Ų3618.5 Ų18.519%0.1888%0.084CC..  trans-114.6144.3-171.8-56.3-177.3000112P118 H119 W164 D165 V232 V293P118-L121 WeakPolarHBondContact O-CD1 3.34Å; P118-L121 VanDerWaalsContact O-CD2 3.25Å; P118-L121 WeakPolarHBondContact O-CD2 3.24Å; P118-L121 WeakPolarHBondContact O-CG 3.46Å; H119-L121 PolarHBondContact O-N 3.26Å; L121-W164 HydrophobicContact CD2-CZ2 4.21Å; L121-D165 HydrophobicContact CD2-CB 4.08Å; L121-V232 HydrophobicContact CD1-CG2 3.74Å; L121-V232 HydrophobicContact CD2-CG2 3.33Å; L121-V232 HydrophobicContact CG-CG2 4.15Å; L121-V293 HydrophobicContact CD1-CB 3.81Å; L121-V293 HydrophobicContact CD1-CG1 3.92Å; L121-V293 HydrophobicContact CD1-CG2 4.02Å
122E88.9Confident91.3Very high25 Ų2518.3 Ų18.312%0.1179%0.086CC..  trans-127.277.4161.6-179161.4-147.700106.7I3 W67 N103 R104 I109 A124 D165I3-E122 HydrophobicContact CD1-CG 3.41Å; I3-E122 VanDerWaalsContact CD1-CG 3.41Å; I3-E122 VanDerWaalsContact CD1-OE1 3.31Å; I3-E122 WeakPolarHBondContact CD1-OE1 3.44Å; W67-E122 WeakPolarHBondContact CH2-OE1 3.43Å; W67-E122 WeakPolarHBondContact CZ3-OE1 3.48Å; N103-E122 PolarHBondContact ND2-OE1 2.87Å; N103-E122 PolarHBondContact ND2-OE2 3.41Å; R104-E122 WeakPolarHBondContact CG-OE2 3.45Å; I109-E122 HydrophobicContact CD1-CB 4.06Å; E122-A124 PolarHBondContact O-N 3.31Å; E122-A124 VanDerWaalsContact O-N 3.15Å; E122-D165 PolarHBondContact N-OD2 3.01Å
123P90.4Very high91Very high16 Ų1621.5 Ų21.510%0.10410%0.104CC..  trans-66.4118.5-170.426.5-32.8000109.4T2 I3 T230T2-P123 HydrophobicContact CG2-CB 4.14Å; T2-P123 HydrophobicContact CG2-CG 3.78Å; I3-P123 PolarHBondContact N-O 3.19Å; P123-T230 HydrophobicContact CB-CG2 4.21Å; P123-T230 HydrophobicContact CG-CG2 3.89Å
124A94Very high90.9Very high2 Ų223.5 Ų23.52%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-123.8139.7179.800000111I3 L100 E122 D165 Q166 R167I3-A124 HydrophobicContact CB-CB 4.11Å; I3-A124 HydrophobicContact CG2-CB 4.45Å; I3-A124 CarbonylContact O-C 3.52Å; I3-A124 VanDerWaalsContact O-CA 3.27Å; I3-A124 WeakPolarHBondContact O-CA 3.38Å; L100-A124 HydrophobicContact CD1-CB 3.88Å; L100-A124 HydrophobicContact CD2-CB 3.99Å; E122-A124 PolarHBondContact O-N 3.31Å; E122-A124 VanDerWaalsContact O-N 3.15Å; A124-D165 PolarHBondContact N-O 2.84Å; A124-Q166 HydrophobicContact CB-CG 4.25Å; A124-Q166 VanDerWaalsContact O-CA 3.31Å; A124-Q166 WeakPolarHBondContact O-CA 3.29Å; A124-R167 PolarHBondContact O-N 3.36Å; A124-R167 VanDerWaalsContact O-N 3.08Å
125V95.2Very high90.9Very high7 Ų721.6 Ų21.64%0.04211%0.112CC..EExtended strand (participates in β ladder)trans-124.8123.2175.6-175.20000109.2I3 I4 L5 I127 R167 F169 L228I3-V125 PolarHBondContact O-N 3.19Å; I4-V125 WeakPolarHBondContact CA-O 3.18Å; L5-V125 PolarHBondContact N-O 3.09Å; V125-I127 HydrophobicContact CG1-CG1 4.21Å; V125-R167 CarbonylContact C-O 3.24Å; V125-R167 WeakPolarHBondContact CA-O 3.49Å; V125-F169 HydrophobicContact CG1-CD2 3.45Å; V125-F169 VanDerWaalsContact CG1-CD2 3.45Å; V125-F169 HydrophobicContact CG1-CE2 3.67Å; V125-L228 HydrophobicContact CB-CD2 4Å; V125-L228 HydrophobicContact CG1-CD2 3.52Å; V125-L228 HydrophobicContact CG2-CD2 3.95Å
126V96.7Very high90.8Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-96119.3174.3-178.90000108.1L5 L7 F97 L100 V128 R167 I168 F169L5-V126 HydrophobicContact CB-CG2 4.4Å; L5-V126 HydrophobicContact CD2-CG1 4.11Å; L5-V126 CarbonylContact O-C 3.6Å; L5-V126 VanDerWaalsContact O-CA 3.32Å; L5-V126 WeakPolarHBondContact O-CA 3.32Å; L7-V126 HydrophobicContact CB-CG1 4.24Å; F97-V126 HydrophobicContact CE1-CG2 4.49Å; L100-V126 HydrophobicContact CD1-CG2 4.05Å; V126-V128 HydrophobicContact CG1-CG2 3.9Å; V126-R167 PolarHBondContact N-O 3.42Å; V126-I168 HydrophobicContact CB-CG1 4.37Å; V126-I168 CarbonylContact O-C 3.47Å; V126-I168 VanDerWaalsContact O-CA 3.3Å; V126-I168 WeakPolarHBondContact O-CA 3.35Å; V126-F169 PolarHBondContact O-N 3.23Å
127I96.9Very high90.4Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-107.2110.9174.6-57.1174.1000107.2I4 L5 F6 L7 I35 V125 F129 F169 I171 L224I4-I127 HydrophobicContact CG2-CD1 3.96Å; L5-I127 PolarHBondContact O-N 2.87Å; F6-I127 HydrophobicContact CD1-CB 4.05Å; F6-I127 HydrophobicContact CD1-CD1 4.34Å; F6-I127 HydrophobicContact CD1-CG2 4.46Å; F6-I127 HydrophobicContact CE1-CB 4.35Å; F6-I127 HydrophobicContact CE1-CD1 3.79Å; L7-I127 PolarHBondContact N-O 3.39Å; I35-I127 HydrophobicContact CD1-CD1 4.28Å; V125-I127 HydrophobicContact CG1-CG1 4.21Å; I127-F129 HydrophobicContact CG2-CD2 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.65Å; I127-F129 HydrophobicContact CG2-CZ 4.21Å; I127-F169 CarbonylContact C-O 3.59Å; I127-F169 WeakPolarHBondContact CA-O 3.4Å; I127-I171 HydrophobicContact CG2-CD1 4.04Å; I127-L224 HydrophobicContact CD1-CD2 3.75Å; I127-L224 HydrophobicContact CG2-CD1 4.49Å
128V96.7Very high90.1Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-95.7125.3-178.1-172.60000109.1L7 F56 L89 L93 V126 I168 F169 A170 I171 I197L7-V128 HydrophobicContact CB-CG2 4.27Å; L7-V128 HydrophobicContact CD2-CG1 4.36Å; L7-V128 HydrophobicContact CD2-CG2 4.14Å; L7-V128 CarbonylContact O-C 3.59Å; L7-V128 WeakPolarHBondContact O-CA 3.49Å; F56-V128 HydrophobicContact CZ-CG1 4.5Å; L89-V128 HydrophobicContact CD1-CG1 4.01Å; L93-V128 HydrophobicContact CD2-CG2 4Å; V126-V128 HydrophobicContact CG1-CG2 3.9Å; V128-I168 HydrophobicContact CG2-CG2 3.82Å; V128-F169 PolarHBondContact N-O 2.96Å; V128-A170 HydrophobicContact CB-CB 4.49Å; V128-A170 CarbonylContact O-C 3.52Å; V128-A170 WeakPolarHBondContact O-CA 3.29Å; V128-I171 PolarHBondContact O-N 3Å; V128-I197 HydrophobicContact CB-CD1 3.99Å; V128-I197 HydrophobicContact CG1-CD1 3.81Å; V128-I197 HydrophobicContact CG2-CD1 4.12Å
129F96.1Very high89.9Confident0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-104.4124.7168.4-72.3-92.9000108.5F6 L7 D9 A31 I32 I35 I127 I171F6-F129 HydrophobicContact CD1-CE2 4.1Å; L7-F129 PolarHBondContact O-N 2.82Å; D9-F129 WeakPolarHBondContact CB-O 3.4Å; D9-F129 PolarHBondContact N-O 3.38Å; A31-F129 HydrophobicContact CB-CE1 3.62Å; A31-F129 HydrophobicContact CB-CZ 3.89Å; I32-F129 HydrophobicContact CD1-CD2 4.14Å; I32-F129 HydrophobicContact CD1-CE2 3.93Å; I32-F129 HydrophobicContact CG1-CD2 4.2Å; I32-F129 HydrophobicContact CG1-CE2 3.49Å; I32-F129 VanDerWaalsContact CG1-CE2 3.49Å; I32-F129 HydrophobicContact CG1-CZ 3.83Å; I35-F129 HydrophobicContact CD1-CZ 4.27Å; I127-F129 HydrophobicContact CG2-CD2 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.65Å; I127-F129 HydrophobicContact CG2-CZ 4.21Å; F129-I171 HydrophobicContact CD1-CB 4.05Å; F129-I171 HydrophobicContact CD1-CD1 4.41Å; F129-I171 HydrophobicContact CD1-CG2 4.11Å; F129-I171 HydrophobicContact CE1-CB 4.09Å; F129-I171 HydrophobicContact CE1-CD1 3.63Å; F129-I171 HydrophobicContact CE1-CG1 4.44Å; F129-I171 HydrophobicContact CE1-CG2 4.05Å; F129-I171 HydrophobicContact CE2-CD1 4.41Å; F129-I171 HydrophobicContact CZ-CD1 3.65Å
130T94.4Very high89.9Confident7 Ų734.9 Ų34.94%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-150.9157.2178.5-176.70000109.8D9 G132 I171 V172 L173D9-T130 PolarHBondContact OD2-OG1 3.42Å; D9-T130 VanDerWaalsContact OD2-OG1 3.11Å; T130-G132 VanDerWaalsContact C-N 3.3Å; T130-I171 PolarHBondContact N-O 2.85Å; T130-V172 HydrophobicContact CG2-CG2 4.18Å; T130-V172 CarbonylContact O-C 3.52Å; T130-V172 WeakPolarHBondContact O-CA 3.38Å; T130-L173 PolarHBondContact O-N 3Å
131D91.8Very high90Very high4 Ų434.8 Ų34.82%0.02122%0.215CC..  trans-75.5-18.6175.664-2.7000113S13 M14 L24 N133S13-D131 WeakPolarHBondContact CB-OD2 3.27Å; S13-D131 PolarHBondContact OG-OD2 3.16Å; M14-D131 HydrophobicContact SD-CB 3.89Å; L24-D131 HydrophobicContact CD1-CB 3.88Å; D131-N133 VanDerWaalsContact C-N 3.32Å; D131-N133 VanDerWaalsContact CG-ND2 3.35Å; D131-N133 PolarHBondContact OD1-N 3.13Å; D131-N133 WeakPolarHBondContact OD2-CB 3.35Å; D131-N133 PolarHBondContact OD2-ND2 3.5Å
132G85.7Confident89.8Confident16 Ų1636.1 Ų36.117%0.16522%0.224CC..  trans79.312.3-177.700000114.6T130T130-G132 VanDerWaalsContact C-N 3.3Å
133N84.9Confident89.4Confident79 Ų7941.3 Ų41.342%0.42225%0.253SS..  trans-77.3178.6173.4-69.2-35.2000111Q16 D131Q16-N133 PolarHBondContact NE2-ND2 3.07Å; D131-N133 VanDerWaalsContact C-N 3.32Å; D131-N133 VanDerWaalsContact CG-ND2 3.35Å; D131-N133 PolarHBondContact OD1-N 3.13Å; D131-N133 WeakPolarHBondContact OD2-CB 3.35Å; D131-N133 PolarHBondContact OD2-ND2 3.5Å
134A84.7Confident89.1Confident42 Ų4248.3 Ų48.335%0.34728%0.284SS..  trans-65.8142.2-175.900000112T136 I141A134-T136 PolarHBondContact O-N 3.29Å; A134-I141 HydrophobicContact CB-CG2 3.33Å
135I87.9Confident88.7Confident15 Ų1549.5 Ų49.58%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-71.1127.1-178.4-55.3170.2000107.8T87 L89 I141 T142 L145 P196T87-I135 WeakPolarHBondContact O-CG2 3.07Å; L89-I135 HydrophobicContact CB-CD1 4.49Å; L89-I135 HydrophobicContact CB-CG1 4.44Å; L89-I135 HydrophobicContact CB-CG2 4.44Å; L89-I135 HydrophobicContact CD2-CD1 4.3Å; I135-I141 WeakPolarHBondContact O-CA 3.18Å; I135-T142 WeakPolarHBondContact CB-O 3.5Å; I135-T142 PolarHBondContact N-O 2.97Å; I135-T142 PolarHBondContact O-N 3.09Å; I135-L145 HydrophobicContact CD1-CB 3.97Å; I135-L145 HydrophobicContact CD1-CD1 3.93Å; I135-P196 HydrophobicContact CD1-CG 4.24Å
136T88.6Confident88.3Confident36 Ų3655.4 Ų55.422%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-113.3137.7-177.154.20000111T87 A134 I141T87-T136 CarbonylContact C-O 3.31Å; T87-T136 WeakPolarHBondContact CB-OG1 3.27Å; T87-T136 PolarHBondContact N-OG1 3.35Å; T87-T136 PolarHBondContact O-N 3.08Å; T87-T136 PolarHBondContact OG1-OG1 3.48Å; A134-T136 PolarHBondContact O-N 3.29Å; T136-I141 HydrophobicContact CG2-CG1 4.25Å
137S85.5Confident87.8Confident39 Ų3956.6 Ų56.627%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-133.2171.3175.271.80000109.8N139 G140S137-N139 PolarHBondContact O-N 3.28Å; S137-N139 PolarHBondContact OG-N 2.9Å; S137-G140 PolarHBondContact N-O 3.27Å; S137-G140 PolarHBondContact O-N 3.2Å; S137-G140 VanDerWaalsContact O-N 3.12Å; S137-G140 PolarHBondContact OG-O 3.29Å; S137-G140 VanDerWaalsContact OG-O 3.1Å
138S84.4Confident87.3Confident95 Ų9559.6 Ų59.666%0.66435%0.348SS*.THydrogen-bonded Turntrans-57-22.7173.455.70000113.4
139N84Confident86.6Confident156 Ų15669.5 Ų69.583%0.83439%0.386SS*.THydrogen-bonded Turntrans-94.9-4.3-176.2-63.1-4.2000113.1S137S137-N139 PolarHBondContact O-N 3.28Å; S137-N139 PolarHBondContact OG-N 2.9Å
140G87.4Confident86Confident34 Ų3470.9 Ų70.935%0.35140%0.396SS..EExtended strand (participates in β ladder)trans128.8-163.2-178.400000113.7S137S137-G140 PolarHBondContact N-O 3.27Å; S137-G140 PolarHBondContact O-N 3.2Å; S137-G140 VanDerWaalsContact O-N 3.12Å; S137-G140 PolarHBondContact OG-O 3.29Å; S137-G140 VanDerWaalsContact OG-O 3.1Å
141I88.1Confident85.4Confident121 Ų12176.7 Ų76.762%0.62144%0.436SS*.EExtended strand (participates in β ladder)trans-96.7132.5-176.5-52.6179.3000109.1A134 I135 T136A134-I141 HydrophobicContact CB-CG2 3.33Å; I135-I141 WeakPolarHBondContact O-CA 3.18Å; T136-I141 HydrophobicContact CG2-CG1 4.25Å
142T84.7Confident84.9Confident64 Ų6476.9 Ų76.939%0.39344%0.439SS..EExtended strand (participates in β ladder)trans-124.8128.7176.853.40000110.1I135I135-T142 WeakPolarHBondContact CB-O 3.5Å; I135-T142 PolarHBondContact N-O 2.97Å; I135-T142 PolarHBondContact O-N 3.09Å
143D80.1Confident84.8Confident134 Ų13478.8 Ų78.872%0.71744%0.444SS*.SBendtrans-86-14.3176.9-66.1-29.2000112.8
144E83.5Confident84.7Confident163 Ų16375 Ų7576%0.76242%0.424SS*.SBendtrans-98133.8179.1-169.5171.1-171.900111.1D146E144-D146 PolarHBondContact O-N 2.99Å
145L85.8Confident84.8Confident27 Ų2774.9 Ų74.914%0.14142%0.42CS..  trans-88.297.8174.8177.163.4000109.6L89 L93 I135 V147 P196 I197 M200L89-L145 HydrophobicContact CB-CD1 4.2Å; L89-L145 HydrophobicContact CD2-CD1 3.89Å; L89-L145 HydrophobicContact CD2-CD2 4.21Å; L89-L145 HydrophobicContact CG-CD1 3.81Å; L93-L145 HydrophobicContact CD1-CD1 4.43Å; L93-L145 HydrophobicContact CD1-CD2 4.19Å; I135-L145 HydrophobicContact CD1-CB 3.97Å; I135-L145 HydrophobicContact CD1-CD1 3.93Å; L145-V147 HydrophobicContact CD1-CG2 4.47Å; L145-V147 HydrophobicContact CG-CG2 4.32Å; L145-P196 HydrophobicContact CB-CB 3.79Å; L145-P196 HydrophobicContact CB-CG 4.34Å; L145-I197 HydrophobicContact CD2-CB 4.34Å; L145-I197 HydrophobicContact CD2-CG1 4.49Å; L145-M200 HydrophobicContact CD2-CB 4.43Å; L145-M200 HydrophobicContact CD2-SD 3.93Å
146D85.8Confident84.8Confident132 Ų13278.1 Ų78.171%0.70644%0.435SS*.  trans-97129.3166.1-168.714.9000110.2G90 E144 P148G90-D146 WeakPolarHBondContact CA-O 3.43Å; E144-D146 PolarHBondContact O-N 2.99Å; D146-P148 WeakPolarHBondContact O-CD 3.34Å
147V87.2Confident85Confident24 Ų2476.9 Ų76.915%0.14543%0.427CS..  trans-103.2107.2-179.6-178.70000107.5L145 R149 P161 M200L145-V147 HydrophobicContact CD1-CG2 4.47Å; L145-V147 HydrophobicContact CG-CG2 4.32Å; V147-R149 PolarHBondContact O-N 2.94Å; V147-P161 HydrophobicContact CG1-CB 4.44Å; V147-P161 HydrophobicContact CG1-CG 4.09Å; V147-M200 HydrophobicContact CG2-CE 3.83Å; V147-M200 HydrophobicContact CG2-SD 3.7Å
148P85.8Confident85.3Confident63 Ų6375.8 Ų75.841%0.40942%0.418SS..PPolyproline II helixtrans-60.3136.3-177.223.7-31.9000110S94 D146S94-P148 VanDerWaalsContact CB-O 3.3Å; S94-P148 WeakPolarHBondContact CB-O 3.44Å; S94-P148 PolarHBondContact OG-O 3.31Å; D146-P148 WeakPolarHBondContact O-CD 3.34Å
149R83.1Confident85.6Confident208 Ų20873.5 Ų73.579%0.78540%0.402SS*.PPolyproline II helixtrans-67.3136176.5-70.2-175.1178.5161.21.7110.2V147 S151V147-R149 PolarHBondContact O-N 2.94Å; R149-S151 PolarHBondContact O-N 3.33Å
150S82.8Confident86Confident30 Ų3068.5 Ų68.521%0.2137%0.373CS..PPolyproline II helixtrans-62.7134.2173.5178.10000110.5H98 A152 S155H98-S150 PolarHBondContact ND1-OG 3.05Å; S150-A152 PolarHBondContact O-N 3.35Å; S150-A152 WeakPolarHBondContact OG-CB 3.47Å; S150-A152 PolarHBondContact OG-N 3.19Å; S150-S155 WeakPolarHBondContact O-CB 3.36Å; S150-S155 PolarHBondContact O-OG 3.08Å
151S80.9Confident86.2Confident129 Ų12968.9 Ų68.990%0.90237%0.369SS*.  trans-78.20.3175.752.90000113.7R149R149-S151 PolarHBondContact O-N 3.33Å
152A82.3Confident86.5Confident8 Ų863.7 Ų63.77%0.06634%0.342CS..SBendtrans-63.3140.9-179.600000111.9S150 G154 S155S150-A152 PolarHBondContact O-N 3.35Å; S150-A152 WeakPolarHBondContact OG-CB 3.47Å; S150-A152 PolarHBondContact OG-N 3.19Å; A152-G154 PolarHBondContact O-N 2.87Å; A152-S155 WeakPolarHBondContact O-CB 3.46Å; A152-S155 PolarHBondContact O-N 3.31Å; A152-S155 VanDerWaalsContact O-N 3.1Å; A152-S155 PolarHBondContact O-OG 3.06Å
153M83Confident86.9Confident56 Ų5661 Ų6128%0.27633%0.325SS..THydrogen-bonded Turntrans-64.3130.7178.2-162.4173.273.800110.5Y478 N481 V482 R485M153-Y478 HydrophobicContact CG-CE2 4.48Å; M153-N481 HydrophobicContact CE-CB 4.06Å; M153-N481 VanDerWaalsContact CE-O 3.22Å; M153-N481 WeakPolarHBondContact CE-O 3.39Å; M153-V482 VanDerWaalsContact CE-CA 3.45Å; M153-V482 HydrophobicContact CE-CB 4.35Å; M153-V482 HydrophobicContact CE-CG2 4Å; M153-V482 HydrophobicContact CG-CG2 4.1Å; M153-R485 HydrophobicContact CE-CB 3.64Å; M153-R485 HydrophobicContact CE-CG 4.31Å
154G84.2Confident87.5Confident0 Ų055.2 Ų55.20%029%0.293CS..THydrogen-bonded Turntrans93-5.2-174.500000113.9A152 E156 L157A152-G154 PolarHBondContact O-N 2.87Å; G154-E156 WeakPolarHBondContact CA-OE1 3.48Å; G154-E156 VanDerWaalsContact CA-OE2 3.32Å; G154-E156 WeakPolarHBondContact CA-OE2 3.15Å; G154-E156 PolarHBondContact N-OE2 3.26Å; G154-E156 PolarHBondContact O-N 3.3Å; G154-L157 PolarHBondContact O-N 3.39Å
155S85.6Confident88Confident38 Ų3847.6 Ų47.627%0.26626%0.258SS..G310 helixtrans-65.5-29.1173.172.90000111.7S150 A152 L157 I158S150-S155 WeakPolarHBondContact O-CB 3.36Å; S150-S155 PolarHBondContact O-OG 3.08Å; A152-S155 WeakPolarHBondContact O-CB 3.46Å; A152-S155 PolarHBondContact O-N 3.31Å; A152-S155 VanDerWaalsContact O-N 3.1Å; A152-S155 PolarHBondContact O-OG 3.06Å; S155-L157 PolarHBondContact O-N 2.94Å; S155-I158 PolarHBondContact O-N 3.38Å; S155-I158 VanDerWaalsContact O-O 3.06Å
156E89Confident88.4Confident84 Ų8446.4 Ų46.439%0.39325%0.252SS..G310 helixtrans-71.2-14.718074.8-62148.700114.2G154 I158 T323 Y478G154-E156 WeakPolarHBondContact CA-OE1 3.48Å; G154-E156 VanDerWaalsContact CA-OE2 3.32Å; G154-E156 WeakPolarHBondContact CA-OE2 3.15Å; G154-E156 PolarHBondContact N-OE2 3.26Å; G154-E156 PolarHBondContact O-N 3.3Å; E156-I158 PolarHBondContact O-N 3Å; E156-T323 WeakPolarHBondContact O-CG2 3.49Å; E156-Y478 VanDerWaalsContact CD-OH 3.23Å; E156-Y478 WeakPolarHBondContact OE1-CE1 3.18Å; E156-Y478 VanDerWaalsContact OE1-CZ 3.28Å; E156-Y478 PolarHBondContact OE1-OH 3.41Å
157L90.9Very high88.9Confident10 Ų1040.9 Ų40.95%0.05222%0.221CC..G310 helixtrans-70.4-16.9178.2-63.5173.5000112.8F112 G154 S155 R324 Y478 L479F112-L157 HydrophobicContact CD1-CB 3.99Å; F112-L157 HydrophobicContact CD1-CD1 4.22Å; F112-L157 HydrophobicContact CD2-CD1 3.66Å; F112-L157 HydrophobicContact CE1-CB 3.55Å; F112-L157 HydrophobicContact CE1-CD1 4.2Å; F112-L157 HydrophobicContact CE1-CG 4.48Å; F112-L157 HydrophobicContact CE2-CB 4.35Å; F112-L157 HydrophobicContact CE2-CD1 3.62Å; F112-L157 HydrophobicContact CG-CD1 3.95Å; F112-L157 HydrophobicContact CZ-CB 3.73Å; F112-L157 HydrophobicContact CZ-CD1 3.89Å; F112-L157 HydrophobicContact CZ-CG 4.48Å; G154-L157 PolarHBondContact O-N 3.39Å; S155-L157 PolarHBondContact O-N 2.94Å; L157-R324 PolarHBondContact O-N 3.43Å; L157-Y478 HydrophobicContact CD1-CE1 4.5Å; L157-Y478 HydrophobicContact CD2-CE1 4.34Å; L157-L479 HydrophobicContact CD1-CD2 3.81Å
158I92.9Very high89.3Confident15 Ų1539.7 Ų39.78%0.07721%0.214CC..BIsolated β-bridgetrans-127.4136.9176.2-56.8-149.4000110F112 S155 E156 E160 R324 A326F112-I158 HydrophobicContact CE1-CD1 4.1Å; F112-I158 HydrophobicContact CE1-CG1 3.82Å; F112-I158 HydrophobicContact CZ-CD1 4.35Å; F112-I158 HydrophobicContact CZ-CG1 4.13Å; S155-I158 PolarHBondContact O-N 3.38Å; S155-I158 VanDerWaalsContact O-O 3.06Å; E156-I158 PolarHBondContact O-N 3Å; I158-E160 WeakPolarHBondContact CG2-O 3.26Å; I158-R324 CarbonylContact C-O 3.27Å; I158-R324 VanDerWaalsContact CA-O 3.27Å; I158-R324 WeakPolarHBondContact CA-O 3.48Å; I158-R324 HydrophobicContact CG1-CB 4.26Å; I158-A326 HydrophobicContact CG2-CB 3.91Å
159S91Very high89.7Confident47 Ų4736.9 Ų36.933%0.32920%0.195SC..SBendtrans-67.8-35.3-178.236.40000114.3R324S159-R324 PolarHBondContact N-O 2.69Å; S159-R324 PolarHBondContact OG-O 3.12Å
160E91.8Very high90.3Very high52 Ų5227 Ų2724%0.24316%0.157CC..SBendtrans-102.1152.3-176.8-55.892.9147.900112.1I158 F162 A326I158-E160 WeakPolarHBondContact CG2-O 3.26Å; E160-F162 VanDerWaalsContact C-N 3.27Å; E160-F162 HydrophobicContact CB-CD1 4.05Å; E160-F162 HydrophobicContact CB-CE1 3.74Å; E160-F162 HydrophobicContact CB-CZ 3.99Å; E160-F162 HydrophobicContact CG-CE1 4.14Å; E160-F162 HydrophobicContact CG-CZ 4.09Å; E160-F162 PolarHBondContact O-N 3.08Å; E160-A326 HydrophobicContact CB-CB 3.9Å; E160-A326 HydrophobicContact CG-CB 4.33Å; E160-A326 PolarHBondContact OE2-N 3.32Å
161P92.4Very high90.9Very high41 Ų4125.5 Ų25.527%0.26615%0.147SC..SBendtrans-71.2-21.3-179.228.2-34.9000113.4F97 N101 V147F97-P161 HydrophobicContact CB-CB 4.43Å; F97-P161 WeakPolarHBondContact CB-O 3.09Å; F97-P161 HydrophobicContact CD2-CB 4.14Å; F97-P161 HydrophobicContact CD2-CG 4.4Å; F97-P161 HydrophobicContact CG-CB 4.41Å; N101-P161 PolarHBondContact ND2-O 3.2Å; V147-P161 HydrophobicContact CG1-CB 4.44Å; V147-P161 HydrophobicContact CG1-CG 4.09Å
162F93.7Very high91.6Very high12 Ų1219.4 Ų19.45%0.05311%0.105CC..SBendtrans-98.5172.2-179.261.3-93.4000112.4F97 E160 Q166 A203 T204 A326 V327F97-F162 HydrophobicContact CD1-CB 3.84Å; F97-F162 HydrophobicContact CE1-CB 3.53Å; F97-F162 HydrophobicContact CZ-CB 3.99Å; E160-F162 VanDerWaalsContact C-N 3.27Å; E160-F162 HydrophobicContact CB-CD1 4.05Å; E160-F162 HydrophobicContact CB-CE1 3.74Å; E160-F162 HydrophobicContact CB-CZ 3.99Å; E160-F162 HydrophobicContact CG-CE1 4.14Å; E160-F162 HydrophobicContact CG-CZ 4.09Å; E160-F162 PolarHBondContact O-N 3.08Å; F162-Q166 VanDerWaalsContact CA-OE1 3.23Å; F162-A203 HydrophobicContact CE1-CB 4.43Å; F162-A203 HydrophobicContact CZ-CB 4.14Å; F162-T204 HydrophobicContact CB-CG2 4.11Å; F162-T204 HydrophobicContact CD1-CG2 3.75Å; F162-T204 HydrophobicContact CD2-CG2 3.73Å; F162-T204 HydrophobicContact CE1-CG2 4.05Å; F162-T204 HydrophobicContact CE2-CG2 4.03Å; F162-T204 HydrophobicContact CG-CG2 3.59Å; F162-T204 HydrophobicContact CZ-CG2 4.18Å; F162-A326 HydrophobicContact CD2-CB 4.02Å; F162-A326 HydrophobicContact CE2-CB 3.89Å; F162-A326 WeakPolarHBondContact O-CB 3.37Å; F162-V327 HydrophobicContact CE2-CG2 4.17Å
163R93.5Very high92.2Very high7 Ų719.1 Ų19.13%0.02610%0.102CC..  trans-116.6161175.8-53.7-67.7162.8142.3-18.7110.7N101 D110 D165 Q166N101-R163 WeakPolarHBondContact OD1-CG 3.41Å; D110-R163 IonicContact OD2-CZ 3Å; D110-R163 IonicContact OD2-NE 3.84Å; D110-R163 IonicContact OD2-NH1 3.4Å; D110-R163 PolarHBondContact OD2-NH1 3.48Å; R163-D165 PolarHBondContact O-N 3.4Å; R163-D165 VanDerWaalsContact O-N 3.14Å; R163-Q166 HydrophobicContact CB-CG 4.04Å; R163-Q166 WeakPolarHBondContact O-CB 3.22Å; R163-Q166 PolarHBondContact O-N 2.96Å
164W93.3Very high92.5Very high14 Ų1421.5 Ų21.55%0.05311%0.108CC..THydrogen-bonded Turntrans-59.7-18.4-17960.6-17.7000116.6R116 P118 L121 V232 V233 L234 I308 A326 P328R116-W164 HydrophobicContact CB-CH2 3.93Å; R116-W164 HydrophobicContact CB-CZ2 4.32Å; R116-W164 HydrophobicContact CB-CZ3 4.22Å; P118-W164 HydrophobicContact CB-CH2 4.24Å; P118-W164 HydrophobicContact CG-CH2 4.18Å; L121-W164 HydrophobicContact CD2-CZ2 4.21Å; W164-V232 HydrophobicContact CB-CG1 3.84Å; W164-V232 HydrophobicContact CD2-CG1 3.12Å; W164-V232 HydrophobicContact CE3-CB 4.34Å; W164-V232 HydrophobicContact CE3-CG1 2.95Å; W164-V232 HydrophobicContact CG-CG1 3.58Å; W164-V232 HydrophobicContact CH2-CG1 3.89Å; W164-V232 HydrophobicContact CZ2-CG1 4.07Å; W164-V232 HydrophobicContact CZ3-CB 4.42Å; W164-V232 HydrophobicContact CZ3-CG1 3.35Å; W164-V233 PolarHBondContact O-N 3.09Å; W164-L234 HydrophobicContact CE3-CD2 4.28Å; W164-L234 HydrophobicContact CZ3-CD2 4.35Å; W164-I308 HydrophobicContact CZ3-CD1 4.18Å; W164-A326 WeakPolarHBondContact CB-O 3.34Å; W164-P328 HydrophobicContact CE3-CG 3.89Å; W164-P328 HydrophobicContact CZ3-CG 4.33Å
165D92.9Very high92.7Very high3 Ų322.3 Ų22.32%0.01611%0.112CC..THydrogen-bonded Turntrans-106.211176.658.6-21.4000112.7R104 L121 E122 A124 R163R104-D165 IonicContact CZ-OD1 3.39Å; R104-D165 IonicContact CZ-OD2 3.07Å; R104-D165 VanDerWaalsContact NH1-CG 3.28Å; R104-D165 IonicContact NH1-OD1 2.69Å; R104-D165 PolarHBondContact NH1-OD1 3.35Å; R104-D165 VanDerWaalsContact NH1-OD1 3.08Å; R104-D165 IonicContact NH1-OD2 3.92Å; R104-D165 PolarHBondContact NH1-OD2 3.31Å; R104-D165 IonicContact NH2-OD1 3.47Å; R104-D165 IonicContact NH2-OD2 3.97Å; L121-D165 HydrophobicContact CD2-CB 4.08Å; E122-D165 PolarHBondContact N-OD2 3.01Å; A124-D165 PolarHBondContact N-O 2.84Å; R163-D165 PolarHBondContact O-N 3.4Å; R163-D165 VanDerWaalsContact O-N 3.14Å
166Q95Very high92.5Very high2 Ų223.8 Ų23.81%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-105.9127174.2-64.1174.4-9.900110N101 A124 F162 R163N101-Q166 PolarHBondContact OD1-NE2 2.95Å; A124-Q166 HydrophobicContact CB-CG 4.25Å; A124-Q166 VanDerWaalsContact O-CA 3.31Å; A124-Q166 WeakPolarHBondContact O-CA 3.29Å; F162-Q166 VanDerWaalsContact CA-OE1 3.23Å; R163-Q166 HydrophobicContact CB-CG 4.04Å; R163-Q166 WeakPolarHBondContact O-CB 3.22Å; R163-Q166 PolarHBondContact O-N 2.96Å
167R94.9Very high92Very high15 Ų1522.8 Ų22.86%0.05713%0.128CC..EExtended strand (participates in β ladder)trans-125.1145.3-178.6-58.9-172.1-70.9157.3-0.8111.2A124 V125 V126 F169 T204 K227 Q229 V233 M290A124-R167 PolarHBondContact O-N 3.36Å; A124-R167 VanDerWaalsContact O-N 3.08Å; V125-R167 CarbonylContact C-O 3.24Å; V125-R167 WeakPolarHBondContact CA-O 3.49Å; V126-R167 PolarHBondContact N-O 3.42Å; R167-F169 HydrophobicContact CB-CE2 4.32Å; R167-T204 WeakPolarHBondContact CG-O 3.41Å; R167-K227 VanDerWaalsContact CZ-O 3.28Å; R167-K227 PolarHBondContact NH1-O 3.3Å; R167-K227 PolarHBondContact NH2-O 2.72Å; R167-Q229 PolarHBondContact NH2-O 3.44Å; R167-V233 HydrophobicContact CG-CG2 4.41Å; R167-M290 VanDerWaalsContact CD-CE 3.45Å; R167-M290 VanDerWaalsContact NE-CE 3.29Å
168I95.5Very high91.2Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-115.2128.4177.2-50.1169.9000109.9F97 V126 V128 M200 T204 G206 R207F97-I168 HydrophobicContact CE2-CD1 4.23Å; F97-I168 HydrophobicContact CZ-CD1 3.58Å; F97-I168 HydrophobicContact CZ-CG1 3.92Å; V126-I168 HydrophobicContact CB-CG1 4.37Å; V126-I168 CarbonylContact O-C 3.47Å; V126-I168 VanDerWaalsContact O-CA 3.3Å; V126-I168 WeakPolarHBondContact O-CA 3.35Å; V128-I168 HydrophobicContact CG2-CG2 3.82Å; I168-M200 HydrophobicContact CD1-CE 3.67Å; I168-M200 HydrophobicContact CD1-CG 3.75Å; I168-M200 HydrophobicContact CD1-SD 4.22Å; I168-T204 WeakPolarHBondContact CB-OG1 3.37Å; I168-T204 HydrophobicContact CD1-CG2 3.65Å; I168-T204 HydrophobicContact CG1-CG2 3.82Å; I168-T204 WeakPolarHBondContact CG1-OG1 3.3Å; I168-T204 PolarHBondContact N-OG1 3.2Å; I168-G206 VanDerWaalsContact O-CA 3.28Å; I168-G206 WeakPolarHBondContact O-CA 3.48Å; I168-R207 PolarHBondContact O-N 3Å
169F95.7Very high89.8Confident3 Ų335.1 Ų35.11%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-115125.9165.9-64.3-79.3000108.7V125 V126 I127 V128 R167 R207 Y209 L224 K227 L228V125-F169 HydrophobicContact CG1-CD2 3.45Å; V125-F169 VanDerWaalsContact CG1-CD2 3.45Å; V125-F169 HydrophobicContact CG1-CE2 3.67Å; V126-F169 PolarHBondContact O-N 3.23Å; I127-F169 CarbonylContact C-O 3.59Å; I127-F169 WeakPolarHBondContact CA-O 3.4Å; V128-F169 PolarHBondContact N-O 2.96Å; R167-F169 HydrophobicContact CB-CE2 4.32Å; F169-R207 WeakPolarHBondContact CA-O 3.06Å; F169-R207 HydrophobicContact CD1-CG 3.91Å; F169-R207 HydrophobicContact CE1-CG 4.09Å; F169-Y209 HydrophobicContact CB-CE2 4.24Å; F169-Y209 AromaticContact CD1-CE2 3.98Å; F169-Y209 HydrophobicContact CD1-CE2 3.98Å; F169-L224 HydrophobicContact CB-CD1 3.98Å; F169-L224 HydrophobicContact CG-CD1 4.35Å; F169-K227 HydrophobicContact CE1-CD 4.37Å; F169-K227 HydrophobicContact CZ-CB 4.17Å; F169-L228 HydrophobicContact CD2-CD2 4.23Å; F169-L228 HydrophobicContact CE2-CD2 3.99Å
170A95.8Very high88.2Confident0 Ų036.6 Ų36.60%021%0.209CC..EExtended strand (participates in β ladder)trans-104.9122.6177.400000110V128 V172 I197 C201 R207 S208 Y209V128-A170 HydrophobicContact CB-CB 4.49Å; V128-A170 CarbonylContact O-C 3.52Å; V128-A170 WeakPolarHBondContact O-CA 3.29Å; A170-V172 HydrophobicContact CB-CG2 4.45Å; A170-I197 HydrophobicContact CB-CD1 3.66Å; A170-I197 HydrophobicContact CB-CG1 4.03Å; A170-I197 HydrophobicContact CB-CG2 3.86Å; A170-C201 VanDerWaalsContact CB-SG 3.57Å; A170-R207 PolarHBondContact N-O 3Å; A170-S208 CarbonylContact O-C 3.38Å; A170-S208 WeakPolarHBondContact O-CA 3.4Å; A170-Y209 WeakPolarHBondContact O-CD2 3.46Å; A170-Y209 PolarHBondContact O-N 3.28Å
171I95.8Very high86.3Confident0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-100.7104.3170.7-62175000106.4I127 V128 F129 T130 L173 Y209 I211 L217 L221 L224I127-I171 HydrophobicContact CG2-CD1 4.04Å; V128-I171 PolarHBondContact O-N 3Å; F129-I171 HydrophobicContact CD1-CB 4.05Å; F129-I171 HydrophobicContact CD1-CD1 4.41Å; F129-I171 HydrophobicContact CD1-CG2 4.11Å; F129-I171 HydrophobicContact CE1-CB 4.09Å; F129-I171 HydrophobicContact CE1-CD1 3.63Å; F129-I171 HydrophobicContact CE1-CG1 4.44Å; F129-I171 HydrophobicContact CE1-CG2 4.05Å; F129-I171 HydrophobicContact CE2-CD1 4.41Å; F129-I171 HydrophobicContact CZ-CD1 3.65Å; T130-I171 PolarHBondContact N-O 2.85Å; I171-L173 HydrophobicContact CG2-CD2 3.84Å; I171-L173 HydrophobicContact CG2-CG 4.49Å; I171-Y209 HydrophobicContact CG1-CD2 4.37Å; I171-I211 HydrophobicContact CG2-CG1 3.84Å; I171-L217 HydrophobicContact CG2-CD1 3.96Å; I171-L221 HydrophobicContact CD1-CD2 3.95Å; I171-L224 HydrophobicContact CD1-CD1 4.07Å; I171-L224 HydrophobicContact CG1-CD1 4.43Å
172V94.8Very high84.2Confident0 Ų045.4 Ų45.40%026%0.261CS..EExtended strand (participates in β ladder)trans-96.2111.1-178.9-1720000108.7T130 A170 R174 D193 I197 Y209 I211T130-V172 HydrophobicContact CG2-CG2 4.18Å; T130-V172 CarbonylContact O-C 3.52Å; T130-V172 WeakPolarHBondContact O-CA 3.38Å; A170-V172 HydrophobicContact CB-CG2 4.45Å; V172-R174 HydrophobicContact CG1-CG 4.07Å; V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.16Å; V172-D193 HydrophobicContact CB-CB 4.2Å; V172-D193 HydrophobicContact CG2-CB 4.01Å; V172-I197 HydrophobicContact CG2-CG2 4.49Å; V172-Y209 PolarHBondContact N-O 3.14Å; V172-I211 PolarHBondContact O-N 3.22Å
173L93.7Very high82.3Confident3 Ų351.7 Ų51.72%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-86.381.9-174.7-59.2177.3000110.9M14 L24 V27 S28 T130 I171 M175 I211 L217M14-L173 HydrophobicContact CE-CD1 4.36Å; L24-L173 HydrophobicContact CB-CD1 4.36Å; L24-L173 HydrophobicContact CD2-CB 4.02Å; V27-L173 HydrophobicContact CB-CD1 4.46Å; V27-L173 HydrophobicContact CG1-CD1 4.23Å; V27-L173 HydrophobicContact CG1-CD2 4.2Å; S28-L173 WeakPolarHBondContact OG-CD1 3.43Å; T130-L173 PolarHBondContact O-N 3Å; I171-L173 HydrophobicContact CG2-CD2 3.84Å; I171-L173 HydrophobicContact CG2-CG 4.49Å; L173-M175 HydrophobicContact CD2-CE 4.45Å; L173-M175 PolarHBondContact O-N 3.4Å; L173-I211 HydrophobicContact CD2-CB 4.33Å; L173-I211 HydrophobicContact CD2-CG2 4.41Å; L173-L217 HydrophobicContact CD2-CD1 4.36Å
174R90.5Very high80.1Confident105 Ų10560.3 Ų60.340%0.39633%0.331SS..  trans-89.750.1171.4-61.2-159.3-174.2-133.90.7111.7V172 D193 R210 I211V172-R174 HydrophobicContact CG1-CG 4.07Å; V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.16Å; R174-D193 WeakPolarHBondContact CD-OD1 3.48Å; R174-D193 IonicContact CZ-OD1 2.73Å; R174-D193 IonicContact CZ-OD2 3.95Å; R174-D193 IonicContact NE-OD1 3.1Å; R174-D193 PolarHBondContact NE-OD1 3.22Å; R174-D193 IonicContact NE-OD2 3.06Å; R174-D193 PolarHBondContact NE-OD2 2.92Å; R174-D193 IonicContact NH2-OD1 3.97Å; R174-D193 PolarHBondContact NH2-OD1 3.22Å; R174-D193 IonicContact NH2-OD2 3.84Å; R174-D193 PolarHBondContact NH2-OD2 3.12Å; R174-R210 HydrophobicContact CG-CG 4.44Å; R174-I211 CarbonylContact C-O 3.57Å; R174-I211 VanDerWaalsContact C-O 3.23Å; R174-I211 WeakPolarHBondContact CA-O 3.16Å; R174-I211 PolarHBondContact N-O 3.12Å
175M87.9Confident78.3Confident18 Ų1864.7 Ų64.79%0.08935%0.352CS..  trans-83.6117.7176.5-64-171.9174.700109.4T18 L24 V27 L173 I211 M214 L217T18-M175 HydrophobicContact CG2-CB 3.83Å; T18-M175 HydrophobicContact CG2-CG 4.49Å; T18-M175 HydrophobicContact CG2-SD 3.89Å; L24-M175 HydrophobicContact CD2-CB 4.18Å; V27-M175 HydrophobicContact CG1-CE 4.04Å; V27-M175 HydrophobicContact CG1-SD 4.17Å; V27-M175 HydrophobicContact CG2-SD 4.38Å; L173-M175 HydrophobicContact CD2-CE 4.45Å; L173-M175 PolarHBondContact O-N 3.4Å; M175-I211 HydrophobicContact CE-CG2 3.53Å; M175-M214 HydrophobicContact CE-CE 4.41Å; M175-L217 HydrophobicContact CE-CB 4.15Å; M175-L217 HydrophobicContact CE-CD2 4.1Å
176S81.5Confident76.3Confident69 Ų6969.8 Ų69.848%0.48338%0.384SS..  trans-79.9151.3173.8-167.60000111.1S19 D178S19-S176 PolarHBondContact N-O 3.31Å; S176-D178 VanDerWaalsContact C-N 3.28Å; S176-D178 PolarHBondContact OG-N 3.14Å
177A77.8Confident74.4Confident62 Ų6275.6 Ų75.651%0.51242%0.422SS..SBendtrans-70.1-28.5168.600000111.7
178D74.7Confident72.8Confident127 Ų12778 Ų7868%0.67945%0.451SS*.SBendtrans-74.1138.2177.9-70.9-23.2000110.9S176 A180S176-D178 VanDerWaalsContact C-N 3.28Å; S176-D178 PolarHBondContact OG-N 3.14Å; D178-A180 PolarHBondContact O-N 3.48Å
179L63.7Low71.6Confident158 Ų15884.9 Ų84.983%0.82749%0.486SS*.  trans-53.7110.3172.2-72.9163.2000108.8
180A56.7Low70.9Confident78 Ų7885.8 Ų85.865%0.64549%0.491SS*.  trans-51.1128.4-175.700000110.2D178 N182D178-A180 PolarHBondContact O-N 3.48Å; A180-N182 PolarHBondContact O-N 3.24Å
181P52.1Low70.2Confident111 Ų11191.8 Ų91.872%0.72152%0.519SS*.  trans-7292.518028.2-33.1000109.2Q183P181-Q183 PolarHBondContact O-N 3.39Å
182N48.9Very low69.7Low166 Ų16695.2 Ų95.289%0.88854%0.542SS*.  trans28.348.3160.3-136.57000115.2A180 Q184A180-N182 PolarHBondContact O-N 3.24Å; N182-Q184 PolarHBondContact O-N 3.29Å
183Q53.9Low68.9Low144 Ų14495.4 Ų95.467%0.67354%0.543SS*.  trans-70.9123.7173.3-72.5-171.9-5.200104.9P181 E185P181-Q183 PolarHBondContact O-N 3.39Å; Q183-E185 PolarHBondContact O-N 3.45Å
184Q47.9Very low68.4Low189 Ų18998.2 Ų98.288%0.88357%0.572SS**  trans-56.996.8168.6-81.6177.4-28.600106.9N182 T186N182-Q184 PolarHBondContact O-N 3.29Å; Q184-T186 PolarHBondContact O-N 3.1Å
185E54.2Low68.1Low105 Ų10593.8 Ų93.849%0.49156%0.558SS.*  trans-56.9105.7171.4-68-176.2167.900105.9Q183 P187 R215Q183-E185 PolarHBondContact O-N 3.45Å; E185-P187 WeakPolarHBondContact O-CD 3.36Å; E185-R215 WeakPolarHBondContact OE2-CD 3.46Å; E185-R215 IonicContact OE2-NE 3.62Å; E185-R215 PolarHBondContact OE2-NE 3.02Å
186T52.5Low68Low111 Ų11195.6 Ų95.668%0.68157%0.571SS**  trans-67.5112.9172.938.60000106.8Q184 G188Q184-T186 PolarHBondContact O-N 3.1Å; T186-G188 PolarHBondContact O-N 2.89Å; T186-G188 VanDerWaalsContact O-N 3.13Å
187P53.7Low68.5Low124 Ų12492.5 Ų92.581%0.80555%0.549SS*.THydrogen-bonded Turntrans-67.5119.6-179.227-31.1000108.6E185E185-P187 WeakPolarHBondContact O-CD 3.36Å
188G62.2Low69.1Low66 Ų6690.7 Ų90.768%0.6853%0.531SS*.THydrogen-bonded Turntrans126.8-16.2154.900000118T186T186-G188 PolarHBondContact O-N 2.89Å; T186-G188 VanDerWaalsContact O-N 3.13Å
189I70.8Confident69.9Low143 Ų14388.1 Ų88.173%0.73353%0.527SS*.  trans-137.6109.6179.2-53.2178.5000110.4
190I79.4Confident71.2Confident23 Ų2381.7 Ų81.712%0.11849%0.493CS..PPolyproline II helixtrans-76.2124.5171.6-64175.9000108.8Y209 I211 M216 C220I190-Y209 HydrophobicContact CB-CD1 4.22Å; I190-Y209 HydrophobicContact CD1-CD1 4.36Å; I190-Y209 HydrophobicContact CG2-CD1 3.82Å; I190-Y209 HydrophobicContact CG2-CG 4.41Å; I190-I211 HydrophobicContact CD1-CD1 4.26Å; I190-I211 HydrophobicContact CG2-CD1 4.49Å; I190-M216 HydrophobicContact CB-CE 3.9Å; I190-M216 HydrophobicContact CD1-CE 4.41Å; I190-M216 HydrophobicContact CD1-CG 4.05Å; I190-M216 HydrophobicContact CG1-CE 3.7Å; I190-M216 HydrophobicContact CG1-CG 4.1Å; I190-M216 HydrophobicContact CG2-CE 3.5Å; I190-C220 HydrophobicContact CD1-CB 3.45Å; I190-C220 VanDerWaalsContact CD1-CB 3.45Å
191E82.4Confident72.9Confident125 Ų12578 Ų7858%0.58446%0.462SS*.PPolyproline II helixtrans-71.9147.3178.2-63.8-172.9165.200111.9R210E191-R210 PolarHBondContact O-N 3.29Å; E191-R210 VanDerWaalsContact O-N 3.15Å
192P84.3Confident74.8Confident73 Ų7377 Ų7747%0.47445%0.451SS..PPolyproline II helixtrans-67.1152.1169.230-33.8000110.4
193D79.2Confident76.8Confident3 Ų370.4 Ų70.42%0.01642%0.419CS..  trans-78.4-22.4-174.5-171.656.6000113.6V172 R174 S195 S208 R210V172-D193 HydrophobicContact CB-CB 4.2Å; V172-D193 HydrophobicContact CG2-CB 4.01Å; R174-D193 WeakPolarHBondContact CD-OD1 3.48Å; R174-D193 IonicContact CZ-OD1 2.73Å; R174-D193 IonicContact CZ-OD2 3.95Å; R174-D193 IonicContact NE-OD1 3.1Å; R174-D193 PolarHBondContact NE-OD1 3.22Å; R174-D193 IonicContact NE-OD2 3.06Å; R174-D193 PolarHBondContact NE-OD2 2.92Å; R174-D193 IonicContact NH2-OD1 3.97Å; R174-D193 PolarHBondContact NH2-OD1 3.22Å; R174-D193 IonicContact NH2-OD2 3.84Å; R174-D193 PolarHBondContact NH2-OD2 3.12Å; D193-S195 WeakPolarHBondContact CB-OG 3.49Å; D193-S195 PolarHBondContact O-N 3.46Å; D193-S195 WeakPolarHBondContact OD2-CB 3.45Å; D193-S195 PolarHBondContact OD2-OG 3.37Å; D193-S208 PolarHBondContact N-OG 3.38Å; D193-S208 VanDerWaalsContact N-OG 3.09Å; D193-R210 HydrophobicContact CB-CB 4.01Å; D193-R210 PolarHBondContact O-NH2 3.46Å; D193-R210 WeakPolarHBondContact OD1-CG 3.37Å; D193-R210 IonicContact OD1-CZ 3.8Å; D193-R210 IonicContact OD1-NE 3.39Å; D193-R210 PolarHBondContact OD1-NE 2.69Å; D193-R210 IonicContact OD1-NH2 3.93Å
194G82.6Confident78.6Confident62 Ų6263.6 Ų63.664%0.63939%0.387SS*.  trans64.913.3-172.800000114.2
195S83.7Confident80.6Confident13 Ų1355.4 Ų55.49%0.09135%0.354CS..SBendtrans-69.2162.3168.734.30000111D193 I197 D198D193-S195 WeakPolarHBondContact CB-OG 3.49Å; D193-S195 PolarHBondContact O-N 3.46Å; D193-S195 WeakPolarHBondContact OD2-CB 3.45Å; D193-S195 PolarHBondContact OD2-OG 3.37Å; S195-I197 PolarHBondContact O-N 2.67Å; S195-I197 WeakPolarHBondContact OG-CG2 3.49Å; S195-D198 WeakPolarHBondContact O-CB 3.38Å; S195-D198 PolarHBondContact O-N 3.03Å
196P86.3Confident82.4Confident56 Ų5651.1 Ų51.136%0.36434%0.338SS..Hα-helixtrans-59.8-21.9-178.625.2-37000113.5I135 L145 D198I135-P196 HydrophobicContact CD1-CG 4.24Å; L145-P196 HydrophobicContact CB-CB 3.79Å; L145-P196 HydrophobicContact CB-CG 4.34Å; P196-D198 VanDerWaalsContact C-N 3.27Å; P196-D198 PolarHBondContact O-N 3.35Å
197I91.3Very high84.2Confident3 Ų348.4 Ų48.42%0.01532%0.315CS..Hα-helixtrans-68.9-22173.6-162.1168000113.5L89 V128 L145 A170 V172 S195 A199 M200 C201L89-I197 HydrophobicContact CD1-CD1 4.11Å; L89-I197 HydrophobicContact CD2-CB 4.31Å; L89-I197 HydrophobicContact CD2-CD1 4.12Å; V128-I197 HydrophobicContact CB-CD1 3.99Å; V128-I197 HydrophobicContact CG1-CD1 3.81Å; V128-I197 HydrophobicContact CG2-CD1 4.12Å; L145-I197 HydrophobicContact CD2-CB 4.34Å; L145-I197 HydrophobicContact CD2-CG1 4.49Å; A170-I197 HydrophobicContact CB-CD1 3.66Å; A170-I197 HydrophobicContact CB-CG1 4.03Å; A170-I197 HydrophobicContact CB-CG2 3.86Å; V172-I197 HydrophobicContact CG2-CG2 4.49Å; S195-I197 PolarHBondContact O-N 2.67Å; S195-I197 WeakPolarHBondContact OG-CG2 3.49Å; I197-A199 PolarHBondContact O-N 3.12Å; I197-M200 PolarHBondContact O-N 3.2Å; I197-M200 VanDerWaalsContact O-N 3.17Å; I197-C201 PolarHBondContact O-N 3.1Å; I197-C201 PolarHBondContact O-SG 3.38Å
198D92Very high86.1Confident25 Ų2542.6 Ų42.613%0.13428%0.277CS..Hα-helixtrans-63.6-44-177.3-165.442.3000111.4S195 P196 M200 C201 D202 S208S195-D198 WeakPolarHBondContact O-CB 3.38Å; S195-D198 PolarHBondContact O-N 3.03Å; P196-D198 VanDerWaalsContact C-N 3.27Å; P196-D198 PolarHBondContact O-N 3.35Å; D198-M200 PolarHBondContact O-N 3.4Å; D198-C201 WeakPolarHBondContact O-CB 3.49Å; D198-C201 PolarHBondContact O-N 3.42Å; D198-C201 VanDerWaalsContact O-N 3.16Å; D198-D202 PolarHBondContact O-N 3.15Å; D198-S208 VanDerWaalsContact CG-OG 3.26Å; D198-S208 VanDerWaalsContact OD1-CB 3.25Å; D198-S208 WeakPolarHBondContact OD1-CB 3.22Å; D198-S208 PolarHBondContact OD1-OG 2.93Å
199A90Very high87.6Confident72 Ų7239.5 Ų39.560%0.59525%0.245SC*.Hα-helixtrans-58.9-35.1175.500000112.3I197 A203I197-A199 PolarHBondContact O-N 3.12Å; A199-A203 WeakPolarHBondContact O-CB 3.3Å; A199-A203 PolarHBondContact O-N 2.95Å
200M90.8Very high88.7Confident23 Ų2336.5 Ų36.511%0.11323%0.225CC..Hα-helixtrans-77.5-38.1178.2-166.8173.7170.900112.3L93 F97 L145 V147 I168 I197 D198 D202 A203 T204L93-M200 HydrophobicContact CB-CE 4.2Å; L93-M200 HydrophobicContact CD1-CE 3.96Å; L93-M200 HydrophobicContact CD1-SD 3.65Å; L93-M200 HydrophobicContact CD2-CE 4.46Å; L93-M200 HydrophobicContact CG-CE 4.46Å; F97-M200 HydrophobicContact CD2-CE 4.28Å; F97-M200 HydrophobicContact CE2-CE 3.3Å; F97-M200 HydrophobicContact CZ-CE 3.94Å; L145-M200 HydrophobicContact CD2-CB 4.43Å; L145-M200 HydrophobicContact CD2-SD 3.93Å; V147-M200 HydrophobicContact CG2-CE 3.83Å; V147-M200 HydrophobicContact CG2-SD 3.7Å; I168-M200 HydrophobicContact CD1-CE 3.67Å; I168-M200 HydrophobicContact CD1-CG 3.75Å; I168-M200 HydrophobicContact CD1-SD 4.22Å; I197-M200 PolarHBondContact O-N 3.2Å; I197-M200 VanDerWaalsContact O-N 3.17Å; D198-M200 PolarHBondContact O-N 3.4Å; M200-D202 VanDerWaalsContact C-N 3.35Å; M200-A203 PolarHBondContact O-N 3Å; M200-T204 WeakPolarHBondContact O-CG2 3.42Å; M200-T204 PolarHBondContact O-N 3.33Å; M200-T204 VanDerWaalsContact O-N 3.09Å; M200-T204 PolarHBondContact O-OG1 3.45Å
201C93.5Very high89.3Confident0 Ų035.4 Ų35.40%022%0.219CC..Hα-helixtrans-58.3-47.8170.2-67.80000110.8A170 I197 D198 A203 T204 G205 G206A170-C201 VanDerWaalsContact CB-SG 3.57Å; I197-C201 PolarHBondContact O-N 3.1Å; I197-C201 PolarHBondContact O-SG 3.38Å; D198-C201 WeakPolarHBondContact O-CB 3.49Å; D198-C201 PolarHBondContact O-N 3.42Å; D198-C201 VanDerWaalsContact O-N 3.16Å; C201-A203 PolarHBondContact O-N 3.27Å; C201-T204 PolarHBondContact O-N 3.48Å; C201-T204 PolarHBondContact O-OG1 2.98Å; C201-T204 VanDerWaalsContact O-OG1 3.04Å; C201-G205 PolarHBondContact O-N 2.78Å; C201-G206 CarbonylContact O-C 3.59Å; C201-G206 WeakPolarHBondContact O-CA 3.28Å; C201-G206 PolarHBondContact O-N 3.33Å
202D91.1Very high89.7Confident91 Ų9132.5 Ų32.549%0.48721%0.21SC..Hα-helixtrans-63.5-41.1177.9-81.3-7.4000112.1D198 M200 T204 G205 R288D198-D202 PolarHBondContact O-N 3.15Å; M200-D202 VanDerWaalsContact C-N 3.35Å; D202-T204 VanDerWaalsContact C-N 3.27Å; D202-T204 PolarHBondContact O-N 3.31Å; D202-G205 PolarHBondContact O-N 3.07Å; D202-G205 VanDerWaalsContact O-N 3.11Å; D202-R288 WeakPolarHBondContact O-CD 3.3Å
203A90.8Very high89.9Confident27 Ų2730.8 Ų30.822%0.22320%0.199CC..Hα-helixtrans-61.7-34175.900000112.4F162 A199 M200 C201 G205 R288F162-A203 HydrophobicContact CE1-CB 4.43Å; F162-A203 HydrophobicContact CZ-CB 4.14Å; A199-A203 WeakPolarHBondContact O-CB 3.3Å; A199-A203 PolarHBondContact O-N 2.95Å; M200-A203 PolarHBondContact O-N 3Å; C201-A203 PolarHBondContact O-N 3.27Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-R288 VanDerWaalsContact O-CD 3.25Å; A203-R288 WeakPolarHBondContact O-CD 3.46Å; A203-R288 PolarHBondContact O-NH1 2.9Å
204T92.6Very high90.4Very high1 Ų133.9 Ų33.91%0.00622%0.215CC..THydrogen-bonded Turntrans-87.92177.561.50000113.6F162 R167 I168 M200 C201 D202 G206F162-T204 HydrophobicContact CB-CG2 4.11Å; F162-T204 HydrophobicContact CD1-CG2 3.75Å; F162-T204 HydrophobicContact CD2-CG2 3.73Å; F162-T204 HydrophobicContact CE1-CG2 4.05Å; F162-T204 HydrophobicContact CE2-CG2 4.03Å; F162-T204 HydrophobicContact CG-CG2 3.59Å; F162-T204 HydrophobicContact CZ-CG2 4.18Å; R167-T204 WeakPolarHBondContact CG-O 3.41Å; I168-T204 WeakPolarHBondContact CB-OG1 3.37Å; I168-T204 HydrophobicContact CD1-CG2 3.65Å; I168-T204 HydrophobicContact CG1-CG2 3.82Å; I168-T204 WeakPolarHBondContact CG1-OG1 3.3Å; I168-T204 PolarHBondContact N-OG1 3.2Å; M200-T204 WeakPolarHBondContact O-CG2 3.42Å; M200-T204 PolarHBondContact O-N 3.33Å; M200-T204 VanDerWaalsContact O-N 3.09Å; M200-T204 PolarHBondContact O-OG1 3.45Å; C201-T204 PolarHBondContact O-N 3.48Å; C201-T204 PolarHBondContact O-OG1 2.98Å; C201-T204 VanDerWaalsContact O-OG1 3.04Å; D202-T204 VanDerWaalsContact C-N 3.27Å; D202-T204 PolarHBondContact O-N 3.31Å; T204-G206 VanDerWaalsContact C-N 3.33Å
205G89.5Confident90.6Very high18 Ų1838.5 Ų38.519%0.18621%0.213CC..THydrogen-bonded Turntrans74.821.2-177.200000114C201 D202 A203C201-G205 PolarHBondContact O-N 2.78Å; D202-G205 PolarHBondContact O-N 3.07Å; D202-G205 VanDerWaalsContact O-N 3.11Å; A203-G205 VanDerWaalsContact C-N 3.32Å
206G91.3Very high91Very high14 Ų1439.7 Ų39.714%0.14422%0.217CC..  trans-100.6-151.1169.800000112.3I168 C201 T204I168-G206 VanDerWaalsContact O-CA 3.28Å; I168-G206 WeakPolarHBondContact O-CA 3.48Å; C201-G206 CarbonylContact O-C 3.59Å; C201-G206 WeakPolarHBondContact O-CA 3.28Å; C201-G206 PolarHBondContact O-N 3.33Å; T204-G206 VanDerWaalsContact C-N 3.33Å
207R91.6Very high91.3Very high55 Ų5537.1 Ų37.121%0.20820%0.201CC..EExtended strand (participates in β ladder)trans-158.3150.5175.562.4173.9173.1171.59.1111.2I168 F169 A170 Y209 S223 K227I168-R207 PolarHBondContact O-N 3Å; F169-R207 WeakPolarHBondContact CA-O 3.06Å; F169-R207 HydrophobicContact CD1-CG 3.91Å; F169-R207 HydrophobicContact CE1-CG 4.09Å; A170-R207 PolarHBondContact N-O 3Å; R207-Y209 HydrophobicContact CG-CD2 4.36Å; R207-Y209 HydrophobicContact CG-CE1 4.26Å; R207-Y209 HydrophobicContact CG-CE2 3.78Å; R207-Y209 PolarHBondContact NE-OH 2.68Å; R207-Y209 VanDerWaalsContact NH2-CZ 3.31Å; R207-Y209 PolarHBondContact NH2-OH 2.91Å; R207-S223 PolarHBondContact NH2-OG 3.27Å; R207-K227 VanDerWaalsContact NH1-NZ 3.12Å
208S93.5Very high91.4Very high2 Ų240 Ų401%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-84.8154.8163.775.20000111.3A170 D193 D198A170-S208 CarbonylContact O-C 3.38Å; A170-S208 WeakPolarHBondContact O-CA 3.4Å; D193-S208 PolarHBondContact N-OG 3.38Å; D193-S208 VanDerWaalsContact N-OG 3.09Å; D198-S208 VanDerWaalsContact CG-OG 3.26Å; D198-S208 VanDerWaalsContact OD1-CB 3.25Å; D198-S208 WeakPolarHBondContact OD1-CB 3.22Å; D198-S208 PolarHBondContact OD1-OG 2.93Å
209Y93.9Very high91.4Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-129.1120.9175.8-59.4-95.6000108.9F169 A170 I171 V172 I190 R207 C220 L224F169-Y209 HydrophobicContact CB-CE2 4.24Å; F169-Y209 AromaticContact CD1-CE2 3.98Å; F169-Y209 HydrophobicContact CD1-CE2 3.98Å; A170-Y209 WeakPolarHBondContact O-CD2 3.46Å; A170-Y209 PolarHBondContact O-N 3.28Å; I171-Y209 HydrophobicContact CG1-CD2 4.37Å; V172-Y209 PolarHBondContact N-O 3.14Å; I190-Y209 HydrophobicContact CB-CD1 4.22Å; I190-Y209 HydrophobicContact CD1-CD1 4.36Å; I190-Y209 HydrophobicContact CG2-CD1 3.82Å; I190-Y209 HydrophobicContact CG2-CG 4.41Å; R207-Y209 HydrophobicContact CG-CD2 4.36Å; R207-Y209 HydrophobicContact CG-CE1 4.26Å; R207-Y209 HydrophobicContact CG-CE2 3.78Å; R207-Y209 PolarHBondContact NE-OH 2.68Å; R207-Y209 VanDerWaalsContact NH2-CZ 3.31Å; R207-Y209 PolarHBondContact NH2-OH 2.91Å; Y209-C220 HydrophobicContact CD1-CB 4.41Å; Y209-C220 WeakPolarHBondContact CD1-SG 3.39Å; Y209-C220 WeakPolarHBondContact CE1-SG 3.3Å; Y209-L224 HydrophobicContact CE2-CD1 3.94Å
210R92.9Very high91.5Very high81 Ų8139 Ų3931%0.30620%0.198SC..EExtended strand (participates in β ladder)trans-83.8115.7168.5-179.3-178.9-73.8168.6-4.1109.1R174 E191 D193 T212 M216R174-R210 HydrophobicContact CG-CG 4.44Å; E191-R210 PolarHBondContact O-N 3.29Å; E191-R210 VanDerWaalsContact O-N 3.15Å; D193-R210 HydrophobicContact CB-CB 4.01Å; D193-R210 PolarHBondContact O-NH2 3.46Å; D193-R210 WeakPolarHBondContact OD1-CG 3.37Å; D193-R210 IonicContact OD1-CZ 3.8Å; D193-R210 IonicContact OD1-NE 3.39Å; D193-R210 PolarHBondContact OD1-NE 2.69Å; D193-R210 IonicContact OD1-NH2 3.93Å; R210-T212 HydrophobicContact CG-CG2 4.46Å; R210-M216 WeakPolarHBondContact O-CE 3.22Å
211I93Very high91.7Very high0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-108.2121.7179.4-56.3-55.4000109.9I171 V172 L173 R174 M175 I190 S213 M216 L217 C220I171-I211 HydrophobicContact CG2-CG1 3.84Å; V172-I211 PolarHBondContact O-N 3.22Å; L173-I211 HydrophobicContact CD2-CB 4.33Å; L173-I211 HydrophobicContact CD2-CG2 4.41Å; R174-I211 CarbonylContact C-O 3.57Å; R174-I211 VanDerWaalsContact C-O 3.23Å; R174-I211 WeakPolarHBondContact CA-O 3.16Å; R174-I211 PolarHBondContact N-O 3.12Å; M175-I211 HydrophobicContact CE-CG2 3.53Å; I190-I211 HydrophobicContact CD1-CD1 4.26Å; I190-I211 HydrophobicContact CG2-CD1 4.49Å; I211-S213 WeakPolarHBondContact CG2-O 3.5Å; I211-M216 HydrophobicContact CD1-CG 4.21Å; I211-L217 HydrophobicContact CG1-CD1 4.26Å; I211-L217 HydrophobicContact CG2-CB 3.8Å; I211-L217 HydrophobicContact CG2-CD1 4.26Å; I211-C220 HydrophobicContact CD1-CB 3.71Å
212T89.9Confident91.5Very high63 Ų6343.2 Ų43.239%0.38722%0.218SC..  trans-109.3-19.2178.756.10000113.7R210R210-T212 HydrophobicContact CG-CG2 4.46Å
213S88.2Confident91.5Very high37 Ų3741 Ų4126%0.25921%0.209SC..SBendtrans-141.8150.4-173.51690000111.2I211 R215 M216 L217I211-S213 WeakPolarHBondContact CG2-O 3.5Å; S213-R215 PolarHBondContact O-N 3.15Å; S213-R215 PolarHBondContact OG-N 3.14Å; S213-M216 WeakPolarHBondContact O-CB 3.41Å; S213-M216 PolarHBondContact O-N 3.17Å; S213-M216 VanDerWaalsContact O-N 3.16Å; S213-L217 PolarHBondContact O-N 3.33Å
214M89.3Confident91.6Very high69 Ų6939.7 Ų39.734%0.3420%0.198SC..Hα-helixtrans-60.3-32.7175.9-172.859.866.400112.5I22 V27 M175 L217 N218I22-M214 HydrophobicContact CD1-CE 3.9Å; V27-M214 HydrophobicContact CG1-CE 4.01Å; V27-M214 HydrophobicContact CG2-CE 3.99Å; M175-M214 HydrophobicContact CE-CE 4.41Å; M214-L217 WeakPolarHBondContact O-CB 3.49Å; M214-L217 PolarHBondContact O-N 2.76Å; M214-L217 HydrophobicContact SD-CD2 3.77Å; M214-N218 PolarHBondContact O-N 2.96Å; M214-N218 PolarHBondContact O-ND2 3.01Å
215R88.6Confident91.4Very high159 Ų15941 Ų4160%0.621%0.206SC*.Hα-helixtrans-65.3-44.4175.1-179.3-180170.21113.7111.4E185 S213 L217 N218 Q219E185-R215 WeakPolarHBondContact OE2-CD 3.46Å; E185-R215 IonicContact OE2-NE 3.62Å; E185-R215 PolarHBondContact OE2-NE 3.02Å; S213-R215 PolarHBondContact O-N 3.15Å; S213-R215 PolarHBondContact OG-N 3.14Å; R215-L217 VanDerWaalsContact C-N 3.29Å; R215-L217 PolarHBondContact O-N 3.1Å; R215-N218 PolarHBondContact O-N 3.44Å; R215-Q219 PolarHBondContact O-N 3.09Å
216M90.9Very high91.3Very high37 Ų3746.5 Ų46.518%0.18223%0.231CC..Hα-helixtrans-64.4-35.6176.8-170.3-179.3-174.800111.6I190 R210 I211 S213 C220I190-M216 HydrophobicContact CB-CE 3.9Å; I190-M216 HydrophobicContact CD1-CE 4.41Å; I190-M216 HydrophobicContact CD1-CG 4.05Å; I190-M216 HydrophobicContact CG1-CE 3.7Å; I190-M216 HydrophobicContact CG1-CG 4.1Å; I190-M216 HydrophobicContact CG2-CE 3.5Å; R210-M216 WeakPolarHBondContact O-CE 3.22Å; I211-M216 HydrophobicContact CD1-CG 4.21Å; S213-M216 WeakPolarHBondContact O-CB 3.41Å; S213-M216 PolarHBondContact O-N 3.17Å; S213-M216 VanDerWaalsContact O-N 3.16Å; M216-C220 WeakPolarHBondContact O-CB 3.13Å; M216-C220 PolarHBondContact O-N 3.43Å
217L93.2Very high91.2Very high3 Ų349.1 Ų49.12%0.01624%0.238CC..Hα-helixtrans-58.4-52.5172.7-17660.5000111V27 A31 I171 L173 M175 I211 S213 M214 R215 Q219 C220 L221V27-L217 HydrophobicContact CG1-CD2 3.59Å; A31-L217 HydrophobicContact CB-CD1 4.44Å; A31-L217 HydrophobicContact CB-CD2 4.19Å; I171-L217 HydrophobicContact CG2-CD1 3.96Å; L173-L217 HydrophobicContact CD2-CD1 4.36Å; M175-L217 HydrophobicContact CE-CB 4.15Å; M175-L217 HydrophobicContact CE-CD2 4.1Å; I211-L217 HydrophobicContact CG1-CD1 4.26Å; I211-L217 HydrophobicContact CG2-CB 3.8Å; I211-L217 HydrophobicContact CG2-CD1 4.26Å; S213-L217 PolarHBondContact O-N 3.33Å; M214-L217 WeakPolarHBondContact O-CB 3.49Å; M214-L217 PolarHBondContact O-N 2.76Å; M214-L217 HydrophobicContact SD-CD2 3.77Å; R215-L217 VanDerWaalsContact C-N 3.29Å; R215-L217 PolarHBondContact O-N 3.1Å; L217-Q219 PolarHBondContact O-N 2.82Å; L217-C220 CarbonylContact O-C 3.57Å; L217-C220 WeakPolarHBondContact O-CA 3.21Å; L217-C220 WeakPolarHBondContact O-CB 3.4Å; L217-C220 PolarHBondContact O-N 2.76Å; L217-L221 HydrophobicContact CD1-CD2 4.32Å; L217-L221 HydrophobicContact CD1-CG 4.38Å; L217-L221 HydrophobicContact CG-CD1 4.39Å; L217-L221 HydrophobicContact CG-CG 4.4Å; L217-L221 VanDerWaalsContact O-CG 3.32Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.09Å
218N92.5Very high90.9Very high64 Ų6446.7 Ų46.734%0.34223%0.229SC..Hα-helixtrans-59.8-43.3-178.7-74.2-64.2000112.8M214 R215 C220 L221 E222M214-N218 PolarHBondContact O-N 2.96Å; M214-N218 PolarHBondContact O-ND2 3.01Å; R215-N218 PolarHBondContact O-N 3.44Å; N218-C220 VanDerWaalsContact C-N 3.29Å; N218-C220 PolarHBondContact O-N 3.21Å; N218-L221 PolarHBondContact O-N 2.93Å; N218-L221 VanDerWaalsContact O-N 3.14Å; N218-E222 PolarHBondContact O-N 3.18Å
219Q91.6Very high90.5Very high75 Ų7551 Ų5135%0.3525%0.249SC..Hα-helixtrans-61.1-38.1173.5-67.2177.32.600112.4R215 L217 S223R215-Q219 PolarHBondContact O-N 3.09Å; L217-Q219 PolarHBondContact O-N 2.82Å; Q219-S223 WeakPolarHBondContact O-CB 3.26Å; Q219-S223 PolarHBondContact O-N 3.15Å; Q219-S223 VanDerWaalsContact O-N 3.12Å
220C93.3Very high90.1Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-61-47.2173.4-179.10000111.3I190 Y209 I211 M216 L217 N218 S223 L224I190-C220 HydrophobicContact CD1-CB 3.45Å; I190-C220 VanDerWaalsContact CD1-CB 3.45Å; Y209-C220 HydrophobicContact CD1-CB 4.41Å; Y209-C220 WeakPolarHBondContact CD1-SG 3.39Å; Y209-C220 WeakPolarHBondContact CE1-SG 3.3Å; I211-C220 HydrophobicContact CD1-CB 3.71Å; M216-C220 WeakPolarHBondContact O-CB 3.13Å; M216-C220 PolarHBondContact O-N 3.43Å; L217-C220 CarbonylContact O-C 3.57Å; L217-C220 WeakPolarHBondContact O-CA 3.21Å; L217-C220 WeakPolarHBondContact O-CB 3.4Å; L217-C220 PolarHBondContact O-N 2.76Å; N218-C220 VanDerWaalsContact C-N 3.29Å; N218-C220 PolarHBondContact O-N 3.21Å; C220-S223 PolarHBondContact O-N 3.11Å; C220-L224 WeakPolarHBondContact O-CB 3.47Å; C220-L224 PolarHBondContact O-N 3.37Å
221L93.8Very high89.8Confident2 Ų248.3 Ų48.31%0.0124%0.243CC..Hα-helixtrans-62-46.2-177.7-63.1-174000111.5A31 T34 I35 I171 L217 N218 S223 L224 V225A31-L221 HydrophobicContact CB-CD1 4Å; A31-L221 HydrophobicContact CB-CD2 4.37Å; T34-L221 HydrophobicContact CG2-CD1 3.83Å; I35-L221 HydrophobicContact CD1-CD2 3.77Å; I35-L221 HydrophobicContact CG1-CD2 3.79Å; I171-L221 HydrophobicContact CD1-CD2 3.95Å; L217-L221 HydrophobicContact CD1-CD2 4.32Å; L217-L221 HydrophobicContact CD1-CG 4.38Å; L217-L221 HydrophobicContact CG-CD1 4.39Å; L217-L221 HydrophobicContact CG-CG 4.4Å; L217-L221 VanDerWaalsContact O-CG 3.32Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.09Å; N218-L221 PolarHBondContact O-N 2.93Å; N218-L221 VanDerWaalsContact O-N 3.14Å; L221-S223 PolarHBondContact O-N 2.85Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.04Å
222E90.6Very high89.8Confident110 Ų11048.3 Ų48.351%0.51424%0.243SC..Hα-helixtrans-58.9-47.3175.3-70.4173.4-171.400111.7N218 L224 V225 L226N218-E222 PolarHBondContact O-N 3.18Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 2.76Å; E222-V225 PolarHBondContact O-N 2.72Å; E222-L226 PolarHBondContact O-N 2.91Å
223S90.6Very high90Very high43 Ų4345.4 Ų45.430%0.30123%0.225SC..Hα-helixtrans-65.2-36.9177.8-170.50000112.5R207 Q219 C220 L221 K227R207-S223 PolarHBondContact NH2-OG 3.27Å; Q219-S223 WeakPolarHBondContact O-CB 3.26Å; Q219-S223 PolarHBondContact O-N 3.15Å; Q219-S223 VanDerWaalsContact O-N 3.12Å; C220-S223 PolarHBondContact O-N 3.11Å; L221-S223 PolarHBondContact O-N 2.85Å; S223-K227 WeakPolarHBondContact O-CG 3.21Å; S223-K227 PolarHBondContact O-N 3.43Å
224L92.1Very high90.3Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-65.7-46.1179.7-174.4153.5000110.1I127 F169 I171 Y209 C220 L221 E222 L226 K227 L228I127-L224 HydrophobicContact CD1-CD2 3.75Å; I127-L224 HydrophobicContact CG2-CD1 4.49Å; F169-L224 HydrophobicContact CB-CD1 3.98Å; F169-L224 HydrophobicContact CG-CD1 4.35Å; I171-L224 HydrophobicContact CD1-CD1 4.07Å; I171-L224 HydrophobicContact CG1-CD1 4.43Å; Y209-L224 HydrophobicContact CE2-CD1 3.94Å; C220-L224 WeakPolarHBondContact O-CB 3.47Å; C220-L224 PolarHBondContact O-N 3.37Å; L221-L224 PolarHBondContact O-N 3.39Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 2.76Å; L224-L226 VanDerWaalsContact C-N 3.28Å; L224-L226 PolarHBondContact O-N 3.29Å; L224-K227 WeakPolarHBondContact O-CA 3.04Å; L224-K227 WeakPolarHBondContact O-CB 3.26Å; L224-K227 PolarHBondContact O-N 3.39Å; L224-L228 HydrophobicContact CD2-CD1 3.76Å; L224-L228 HydrophobicContact CD2-CD2 3.89Å; L224-L228 HydrophobicContact CD2-CG 3.88Å; L224-L228 WeakPolarHBondContact O-CG 3.43Å; L224-L228 PolarHBondContact O-N 3.33Å
225V89.8Confident90.6Very high29 Ų2940.5 Ų40.518%0.17620%0.198CC..Hα-helixtrans-56.4-42-179.9171.80000111.6I35 H38 L221 E222 K227 L228I35-V225 HydrophobicContact CG2-CG2 4.47Å; H38-V225 HydrophobicContact CB-CG2 4Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.04Å; E222-V225 PolarHBondContact O-N 2.72Å; V225-K227 PolarHBondContact O-N 2.93Å; V225-L228 PolarHBondContact O-N 3.42Å
226L87.3Confident90.8Very high133 Ų13333 Ų3370%0.69617%0.169SC*.Hα-helixtrans-63.7-27176.4-65.4175.2000113.5E222 L224E222-L226 PolarHBondContact O-N 2.91Å; L224-L226 VanDerWaalsContact C-N 3.28Å; L224-L226 PolarHBondContact O-N 3.29Å
227K87.9Confident91Very high69 Ų6933.4 Ų33.430%0.317%0.171SC..Hα-helixtrans-84-11.7178.8-68.4-174.9177.5-152.70113.6R167 F169 R207 S223 L224 V225 Q229R167-K227 VanDerWaalsContact CZ-O 3.28Å; R167-K227 PolarHBondContact NH1-O 3.3Å; R167-K227 PolarHBondContact NH2-O 2.72Å; F169-K227 HydrophobicContact CE1-CD 4.37Å; F169-K227 HydrophobicContact CZ-CB 4.17Å; R207-K227 VanDerWaalsContact NH1-NZ 3.12Å; S223-K227 WeakPolarHBondContact O-CG 3.21Å; S223-K227 PolarHBondContact O-N 3.43Å; L224-K227 WeakPolarHBondContact O-CA 3.04Å; L224-K227 WeakPolarHBondContact O-CB 3.26Å; L224-K227 PolarHBondContact O-N 3.39Å; V225-K227 PolarHBondContact O-N 2.93Å; K227-Q229 PolarHBondContact O-N 3.13Å
228L86.7Confident90.9Very high4 Ų435 Ų352%0.02118%0.178CC..  trans-79.442.3-178-57176000113.5I4 R39 V125 F169 L224 V225I4-L228 HydrophobicContact CD1-CD1 4.35Å; R39-L228 VanDerWaalsContact NH2-CD1 3.27Å; R39-L228 PolarHBondContact NH2-O 3.15Å; V125-L228 HydrophobicContact CB-CD2 4Å; V125-L228 HydrophobicContact CG1-CD2 3.52Å; V125-L228 HydrophobicContact CG2-CD2 3.95Å; F169-L228 HydrophobicContact CD2-CD2 4.23Å; F169-L228 HydrophobicContact CE2-CD2 3.99Å; L224-L228 HydrophobicContact CD2-CD1 3.76Å; L224-L228 HydrophobicContact CD2-CD2 3.89Å; L224-L228 HydrophobicContact CD2-CG 3.88Å; L224-L228 WeakPolarHBondContact O-CG 3.43Å; L224-L228 PolarHBondContact O-N 3.33Å; V225-L228 PolarHBondContact O-N 3.42Å
229Q84.6Confident90.6Very high92 Ų9236.3 Ų36.343%0.4318%0.18SC..  trans-78.7162.8176.6-64.5176.8-15.400112.1R167 K227 Y292R167-Q229 PolarHBondContact NH2-O 3.44Å; K227-Q229 PolarHBondContact O-N 3.13Å; Q229-Y292 HydrophobicContact CB-CD1 4.4Å; Q229-Y292 HydrophobicContact CB-CE1 4.18Å; Q229-Y292 VanDerWaalsContact OE1-CZ 3.22Å; Q229-Y292 PolarHBondContact OE1-OH 3.23Å
230T84.9Confident89.8Confident21 Ų2134.8 Ų34.813%0.12919%0.185CC..  trans-87.9129.1175.846.90000110.5T2 P123 V293 R295T2-T230 HydrophobicContact CG2-CG2 3.29Å; P123-T230 HydrophobicContact CB-CG2 4.21Å; P123-T230 HydrophobicContact CG-CG2 3.89Å; T230-V293 PolarHBondContact O-N 3.03Å; T230-V293 PolarHBondContact OG1-O 2.98Å; T230-R295 HydrophobicContact CG2-CG 4.05Å; T230-R295 VanDerWaalsContact CG2-NE 3.33Å; T230-R295 VanDerWaalsContact OG1-CG 3.29Å; T230-R295 WeakPolarHBondContact OG1-CG 3.31Å
231G87.8Confident88.5Confident4 Ų442.1 Ų42.14%0.04122%0.224CC..EExtended strand (participates in β ladder)trans176.1-173.5177.600000110.8I291G231-I291 CarbonylContact C-O 3.59Å; G231-I291 WeakPolarHBondContact CA-O 3.31Å
232V92.7Very high86.6Confident0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-133.7137-169.4-174.10000109.9L121 W164 M290 I291 V293L121-V232 HydrophobicContact CD1-CG2 3.74Å; L121-V232 HydrophobicContact CD2-CG2 3.33Å; L121-V232 HydrophobicContact CG-CG2 4.15Å; W164-V232 HydrophobicContact CB-CG1 3.84Å; W164-V232 HydrophobicContact CD2-CG1 3.12Å; W164-V232 HydrophobicContact CE3-CB 4.34Å; W164-V232 HydrophobicContact CE3-CG1 2.95Å; W164-V232 HydrophobicContact CG-CG1 3.58Å; W164-V232 HydrophobicContact CH2-CG1 3.89Å; W164-V232 HydrophobicContact CZ2-CG1 4.07Å; W164-V232 HydrophobicContact CZ3-CB 4.42Å; W164-V232 HydrophobicContact CZ3-CG1 3.35Å; V232-M290 CarbonylContact O-C 3.55Å; V232-M290 WeakPolarHBondContact O-CA 3.39Å; V232-I291 HydrophobicContact CB-CD1 4.48Å; V232-I291 HydrophobicContact CB-CG1 4.02Å; V232-I291 PolarHBondContact N-O 3.3Å; V232-I291 VanDerWaalsContact O-CG1 3.32Å; V232-I291 WeakPolarHBondContact O-CG1 3.35Å; V232-I291 PolarHBondContact O-N 3.02Å; V232-V293 HydrophobicContact CG2-CG2 3.88Å
233V94.2Very high84.7Confident2 Ų245.4 Ų45.41%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-85.9127.6-178.7-176.80000109.9W164 R167 R288 V327W164-V233 PolarHBondContact O-N 3.09Å; R167-V233 HydrophobicContact CG-CG2 4.41Å; V233-R288 HydrophobicContact CG1-CG 3.38Å; V233-V327 HydrophobicContact CB-CG2 4.41Å; V233-V327 HydrophobicContact CG1-CG1 4.29Å; V233-V327 HydrophobicContact CG1-CG2 4.26Å
234L94.5Very high82.2Confident0 Ų049 Ų490%027%0.268CS..EExtended strand (participates in β ladder)trans-119.6150170.9-61.8-178.3000109.7W164 F236 R288 K289 I291 I308 P328 V330 L402W164-L234 HydrophobicContact CE3-CD2 4.28Å; W164-L234 HydrophobicContact CZ3-CD2 4.35Å; L234-F236 HydrophobicContact CB-CE2 3.95Å; L234-F236 HydrophobicContact CB-CZ 4.05Å; L234-F236 HydrophobicContact CD1-CZ 4Å; L234-R288 WeakPolarHBondContact O-CA 3.33Å; L234-K289 PolarHBondContact N-O 3.29Å; L234-K289 PolarHBondContact O-N 3.2Å; L234-I291 HydrophobicContact CD1-CD1 3.81Å; L234-I291 HydrophobicContact CD1-CG1 4.09Å; L234-I291 HydrophobicContact CD1-CG2 3.92Å; L234-I291 HydrophobicContact CG-CD1 4.33Å; L234-I291 HydrophobicContact CG-CG1 4.26Å; L234-I308 HydrophobicContact CD1-CD1 4.09Å; L234-I308 HydrophobicContact CD2-CD1 3.97Å; L234-P328 HydrophobicContact CD2-CB 4.06Å; L234-P328 HydrophobicContact CD2-CG 3.53Å; L234-V330 HydrophobicContact CD1-CG2 4.44Å; L234-L402 HydrophobicContact CD1-CD2 3.86Å
235C94.6Very high79.7Confident4 Ų453.4 Ų53.43%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-103.7115.6170.2-174.40000109.2T287 V327 P328 V329 V330C235-T287 CarbonylContact C-O 3.46Å; C235-T287 WeakPolarHBondContact CA-O 3.19Å; C235-V327 HydrophobicContact CB-CG1 3.97Å; C235-P328 PolarHBondContact N-O 3.15Å; C235-V329 HydrophobicContact CB-CG2 4.31Å; C235-V329 CarbonylContact O-C 3.57Å; C235-V329 WeakPolarHBondContact O-CA 3.26Å; C235-V330 PolarHBondContact O-N 2.93Å
236F94.1Very high77.1Confident1 Ų157.1 Ų57.10%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-94.6122.5175.4-62.7-81.2000110L234 K286 T287 I291 V330 F332 L352 L357 L391L234-F236 HydrophobicContact CB-CE2 3.95Å; L234-F236 HydrophobicContact CB-CZ 4.05Å; L234-F236 HydrophobicContact CD1-CZ 4Å; F236-K286 VanDerWaalsContact O-CA 3.31Å; F236-K286 WeakPolarHBondContact O-CA 3.4Å; F236-T287 PolarHBondContact N-O 3.41Å; F236-T287 PolarHBondContact O-N 2.95Å; F236-I291 HydrophobicContact CZ-CG2 4.32Å; F236-V330 CarbonylContact C-O 3.58Å; F236-V330 VanDerWaalsContact CA-O 3.28Å; F236-V330 WeakPolarHBondContact CA-O 3.37Å; F236-V330 HydrophobicContact CD1-CB 4.13Å; F236-V330 HydrophobicContact CD1-CG1 4.18Å; F236-V330 HydrophobicContact CE1-CB 4.32Å; F236-V330 HydrophobicContact CE1-CG1 4.24Å; F236-F332 HydrophobicContact CB-CD1 4.06Å; F236-F332 HydrophobicContact CB-CE1 3.94Å; F236-L352 HydrophobicContact CD2-CD2 4.49Å; F236-L352 HydrophobicContact CE2-CD2 3.84Å; F236-L352 HydrophobicContact CE2-CG 4.29Å; F236-L352 HydrophobicContact CZ-CD2 3.86Å; F236-L352 HydrophobicContact CZ-CG 4.22Å; F236-L357 HydrophobicContact CB-CD2 3.65Å; F236-L357 HydrophobicContact CD1-CD2 4.5Å; F236-L357 HydrophobicContact CD2-CD2 4.27Å; F236-L357 HydrophobicContact CG-CD2 3.9Å; F236-L391 HydrophobicContact CD1-CD1 4.25Å; F236-L391 HydrophobicContact CE1-CD1 4.42Å; F236-L391 HydrophobicContact CE1-CD2 4.03Å; F236-L391 HydrophobicContact CZ-CD2 4.49Å
237E93.4Very high74.5Confident46 Ų4659.5 Ų59.522%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-119134.2174.2-84.6-174.9164.700111.3H285 K286 V329 V330 K331 F332E237-H285 CarbonylContact C-O 3.46Å; E237-H285 WeakPolarHBondContact CA-O 3.44Å; E237-K286 HydrophobicContact CG-CB 4.32Å; E237-K286 HydrophobicContact CG-CD 4.09Å; E237-K286 HydrophobicContact CG-CG 3.9Å; E237-K286 WeakPolarHBondContact OE1-CD 3.41Å; E237-K286 WeakPolarHBondContact OE1-CE 3.21Å; E237-K286 IonicContact OE1-NZ 3.32Å; E237-K286 PolarHBondContact OE1-NZ 3.27Å; E237-V329 HydrophobicContact CB-CG1 4.4Å; E237-V329 HydrophobicContact CG-CG1 4.16Å; E237-V329 WeakPolarHBondContact OE2-CG1 3.45Å; E237-V330 PolarHBondContact N-O 3.31Å; E237-K331 HydrophobicContact CB-CG 4.26Å; E237-K331 CarbonylContact O-C 3.56Å; E237-K331 WeakPolarHBondContact O-CA 3.32Å; E237-F332 VanDerWaalsContact C-CE1 3.41Å; E237-F332 VanDerWaalsContact O-CD1 3.27Å; E237-F332 WeakPolarHBondContact O-CD1 3.47Å; E237-F332 PolarHBondContact O-N 3.07Å
238K91.1Very high71.9Confident37 Ų3765 Ų6516%0.16136%0.358CS..EExtended strand (participates in β ladder)trans-69.4132.1173.6-174.5-179.1-175.1178.40109.9D242 W284 H285 F332K238-D242 WeakPolarHBondContact CE-OD1 3.11Å; K238-D242 IonicContact NZ-OD1 3.21Å; K238-D242 PolarHBondContact NZ-OD1 2.92Å; K238-D242 IonicContact NZ-OD2 2.86Å; K238-D242 PolarHBondContact NZ-OD2 3.22Å; K238-W284 HydrophobicContact CD-CH2 3.85Å; K238-W284 HydrophobicContact CD-CZ3 4.02Å; K238-W284 VanDerWaalsContact NZ-CH2 3.25Å; K238-H285 HydrophobicContact CB-CB 4.25Å; K238-H285 VanDerWaalsContact CD-CD2 3.46Å; K238-H285 WeakPolarHBondContact CD-CD2 3.34Å; K238-H285 PolarHBondContact N-O 3.14Å; K238-H285 PolarHBondContact NZ-NE2 3.47Å; K238-F332 HydrophobicContact CB-CE1 4.35Å; K238-F332 HydrophobicContact CB-CE2 4.05Å; K238-F332 HydrophobicContact CB-CZ 3.77Å; K238-F332 HydrophobicContact CG-CE2 4.17Å; K238-F332 HydrophobicContact CG-CZ 4.38Å
239F86.1Confident69.3Low90 Ų9070.6 Ų70.640%0.39540%0.398SS..EExtended strand (participates in β ladder)trans-121.4139173.2178.5-93.2000111.2K331 F332 L384F239-K331 HydrophobicContact CB-CB 4.06Å; F239-K331 HydrophobicContact CB-CD 4.38Å; F239-K331 HydrophobicContact CD2-CD 4.27Å; F239-F332 PolarHBondContact N-O 3.1Å; F239-L384 HydrophobicContact CD1-CD1 4.13Å; F239-L384 HydrophobicContact CD1-CD2 3.62Å; F239-L384 HydrophobicContact CD2-CD1 3.91Å; F239-L384 HydrophobicContact CE1-CD1 4.3Å; F239-L384 HydrophobicContact CE1-CD2 3.4Å; F239-L384 VanDerWaalsContact CE1-CD2 3.4Å; F239-L384 HydrophobicContact CE1-CG 4.43Å; F239-L384 HydrophobicContact CE2-CD1 4.07Å; F239-L384 HydrophobicContact CG-CD1 3.93Å; F239-L384 HydrophobicContact CG-CD2 4.29Å; F239-L384 HydrophobicContact CZ-CD1 4.26Å; F239-L384 HydrophobicContact CZ-CD2 3.88Å
240G75.9Confident67Low43 Ų4374.2 Ų74.244%0.44342%0.419SS..SBendtrans92.2161.9-179.100000113.4
241N65.4Low64.5Low155 Ų15581 Ų8183%0.82946%0.455SS*.  trans-63.4145.7178.7-68.20.6000110.8V243N241-V243 PolarHBondContact O-N 2.89Å
242D55.4Low61.9Low95 Ų9586.3 Ų86.351%0.50849%0.49SS..  trans-54.5111.3171.2-71.324.4000108.8K238 V244 H285K238-D242 WeakPolarHBondContact CE-OD1 3.11Å; K238-D242 IonicContact NZ-OD1 3.21Å; K238-D242 PolarHBondContact NZ-OD1 2.92Å; K238-D242 IonicContact NZ-OD2 2.86Å; K238-D242 PolarHBondContact NZ-OD2 3.22Å; D242-V244 VanDerWaalsContact C-N 3.27Å; D242-V244 PolarHBondContact O-N 2.9Å; D242-H285 IonicContact OD2-CE1 2.76Å
243V49.8Very low59.1Low85 Ų8592 Ų9252%0.51553%0.529SS..  trans-68.198.3166.7-177.70000105.1N241 P245N241-V243 PolarHBondContact O-N 2.89Å; V243-P245 VanDerWaalsContact O-CD 3.28Å; V243-P245 WeakPolarHBondContact O-CD 3.2Å; V243-P245 VanDerWaalsContact O-N 3.1Å
244V38.7Very low56.5Low119 Ų119100 Ų10072%0.72157%0.571SS**  trans-52.1118.3166.1-176.40000105.5D242 S246D242-V244 VanDerWaalsContact C-N 3.27Å; D242-V244 PolarHBondContact O-N 2.9Å; V244-S246 PolarHBondContact O-N 3.45Å
245P39.3Very low53.8Low92 Ų92107.7 Ų107.760%0.59761%0.612SS**  trans-62107.7172-12.826.7000105.7V243 E247V243-P245 VanDerWaalsContact O-CD 3.28Å; V243-P245 WeakPolarHBondContact O-CD 3.2Å; V243-P245 VanDerWaalsContact O-N 3.1Å; P245-E247 VanDerWaalsContact C-N 3.26Å; P245-E247 PolarHBondContact O-N 2.61Å
246S34.8Very low51.2Low108 Ų108111.2 Ų111.276%0.75565%0.649SS**  trans-64.396.1167.848.10000107V244 Q248V244-S246 PolarHBondContact O-N 3.45Å; S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 3.08Å
247E32.4Very low48.4Very low182 Ų182119.9 Ų119.985%0.8569%0.69SS**  trans-60.590.8160.6-64.6-173.2170.500107.5P245P245-E247 VanDerWaalsContact C-N 3.26Å; P245-E247 PolarHBondContact O-N 2.61Å
248Q33.2Very low45.7Very low186 Ų186124.8 Ų124.887%0.86972%0.718SS**  trans-16769.9169.8-107.11614500110.2S246S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 3.08Å
249S32.6Very low43.4Very low121 Ų121128.4 Ų128.485%0.84675%0.747SS**  trans-147.460.5154.168.80000108.5
250L36.4Very low40.9Very low167 Ų167131.4 Ų131.487%0.87477%0.767SS**  trans-91.192.5158.3-96.5149.6000106.2C252L250-C252 PolarHBondContact O-N 3.07Å; L250-C252 VanDerWaalsContact O-N 3.15Å
251D31.8Very low39.2Very low165 Ų165136 Ų13688%0.88279%0.787SS**  trans-61.3103.8157-90.2-25.7000107.6
252C34.5Very low37.5Very low115 Ų115136.4 Ų136.478%0.77778%0.784SS**  trans-153.496158.8-91.80000108.1L250 L254L250-C252 PolarHBondContact O-N 3.07Å; L250-C252 VanDerWaalsContact O-N 3.15Å; C252-L254 PolarHBondContact O-N 2.87Å
253S32.2Very low36.8Very low119 Ų119138.2 Ų138.283%0.83280%0.798SS**  trans-51.1125.7167.4-33.40000110.8
254L40.8Very low35.9Very low169 Ų169141.5 Ų141.589%0.88581%0.808SS**  trans-171.4128.3151.1-102.4150.4000110.5C252C252-L254 PolarHBondContact O-N 2.87Å
255D37.7Very low36Very low163 Ų163144 Ų14487%0.87282%0.816SS**  trans-63.6154.2-174.4-48.1-75000114.2
256G38.9Very low35.6Very low78 Ų78144.1 Ų144.180%0.80482%0.819SS**  trans144.2111.6155.300000115.6
257E36Very low35.5Very low183 Ų183147 Ų14786%0.85583%0.826SS**  trans-69.3162178.9-62.2167123.100114
258D37.6Very low35.5Very low149 Ų149147.3 Ų147.380%0.79783%0.827SS**  trans93.9125.6151.7-65.7-24.8000122.3
259S41.3Very low36Very low112 Ų112147.4 Ų147.478%0.78383%0.828SS**  trans102.995.9136.860.10000121.2
260D33.7Very low36Very low153 Ų153149.9 Ų149.982%0.81883%0.826SS**  trans16.3121130.6-71.8-29.3000120
261V40.4Very low35.9Very low141 Ų141148.8 Ų148.886%0.85582%0.82SS**  trans-148106.3132.9-177.60000109.8V263V261-V263 HydrophobicContact CG1-CG2 4.24Å
262Q30.3Very low35.9Very low162 Ų162150 Ų15076%0.75782%0.818SS**  trans-79.2139.2157.4-79.9178.2-53.600109.9
263V39.8Very low35.9Very low134 Ų134150 Ų15081%0.81282%0.819SS**  trans-132.9103.9150.9179.60000108V261V261-V263 HydrophobicContact CG1-CG2 4.24Å
264E31.8Very low35.9Very low153 Ų153149.4 Ų149.472%0.71581%0.812SS**  trans-63155.2164.2-60.9175.214400110.6
265L39.7Very low35.2Very low173 Ų173149.4 Ų149.491%0.90681%0.813SS**  -165.1119.6127.7-98.1165000110.2
266S31.9Very low34.8Very low93 Ų93146.1 Ų146.165%0.6580%0.803SS**  trans-73.9155.5-177.939.30000113.8
267N31.8Very low34.2Very low170 Ų170148.1 Ų148.191%0.90981%0.805SS**  trans-158.4101.7142.4-95.4-15000108.5
268E34Very low33.6Very low187 Ų187145.8 Ų145.887%0.87481%0.807SS**  trans-94.1119.9164.5-64.6-173.1125.400108.1
269E42.6Very low33.3Very low189 Ų189143 Ų14388%0.88380%0.8SS**  trans-146.5105154-76.5-160.9159.600109.9
270E32.8Very low33.1Very low172 Ų172143.5 Ų143.580%0.80480%0.803SS**  trans29.3136.1136.8-72.1-170.3132.500123.3
271L33.5Very low34Very low144 Ų144141.4 Ų141.475%0.75480%0.796SS**  trans83.2117.1140.2-70.9153.2000119.9
272K33.1Very low35.4Very low191 Ų191136.5 Ų136.583%0.8377%0.77SS**  trans106118.6153.7-65171.6177.6174.60116.1
273S33.8Very low37.8Very low114 Ų114133.1 Ų133.180%0.79776%0.764SS**  trans-40.6143.9168.349.40000114
274P32.4Very low40Very low108 Ų108128.2 Ų128.270%0.70173%0.731SS**  -140.9132.4126.132.6-16.1000113.4S276P274-S276 PolarHBondContact O-N 3.22Å
275D26.6Very low42.5Very low168 Ų168122.7 Ų122.790%0.89871%0.705SS**  trans-55.3108.9150.9-63.6-53.4000109
276S28.8Very low44.9Very low94 Ų94120.6 Ų120.666%0.65769%0.689SS**  trans177130151.755.40000112P274P274-S276 PolarHBondContact O-N 3.22Å
277S27.1Very low47.6Very low120 Ų120116.5 Ų116.584%0.83966%0.66SS**  trans66.891155.564.60000119.5
278C23.2Very low50.4Low135 Ų135112.4 Ų112.491%0.91263%0.632SS**  trans-148.6141.5146.6-164.40000110.1
279S31.4Very low53Low91 Ų91106.4 Ų106.464%0.63660%0.603SS**  trans89.585.4178.6-163.40000116.7T281S279-T281 PolarHBondContact O-N 3.37Å
280S35.6Very low55.3Low121 Ų12197.6 Ų97.685%0.84656%0.562SS**  trans-55.6105.1144.140.60000108A282S280-A282 PolarHBondContact O-N 3.31Å
281T52.5Low58.1Low109 Ų10989.4 Ų89.467%0.66952%0.523SS*.  trans-56.9114.8172.748.90000108S279 S283S279-T281 PolarHBondContact O-N 3.37Å; T281-S283 PolarHBondContact O-N 3.19Å
282A71.1Confident60.7Low38 Ų3885.2 Ų85.231%0.31450%0.498SS..  trans-52.613017800000108.7S280 W284 H285S280-A282 PolarHBondContact O-N 3.31Å; A282-W284 HydrophobicContact CB-CG 4.47Å; A282-W284 PolarHBondContact O-N 3.41Å; A282-H285 VanDerWaalsContact O-CB 3.3Å; A282-H285 WeakPolarHBondContact O-CB 3.34Å; A282-H285 PolarHBondContact O-N 3.38Å
283S80Confident63.1Low91 Ų9176.5 Ų76.564%0.63646%0.461SS*.THydrogen-bonded Turntrans-56.9-16.5-169.855.50000114.7T281 T287T281-S283 PolarHBondContact O-N 3.19Å; S283-T287 WeakPolarHBondContact O-CG2 3.23Å
284W85.6Confident65.1Low31 Ų3175 Ų7512%0.11745%0.448CS..THydrogen-bonded Turntrans-82.6-15.3174.971.2-92.3000114.3K238 A282 K286 F332 P356 L357 Y360K238-W284 HydrophobicContact CD-CH2 3.85Å; K238-W284 HydrophobicContact CD-CZ3 4.02Å; K238-W284 VanDerWaalsContact NZ-CH2 3.25Å; A282-W284 HydrophobicContact CB-CG 4.47Å; A282-W284 PolarHBondContact O-N 3.41Å; W284-K286 VanDerWaalsContact C-N 3.28Å; W284-K286 PolarHBondContact O-N 2.74Å; W284-F332 HydrophobicContact CE3-CZ 4.43Å; W284-F332 HydrophobicContact CZ3-CE2 4.12Å; W284-F332 HydrophobicContact CZ3-CZ 4.29Å; W284-P356 HydrophobicContact CB-CB 3.97Å; W284-L357 HydrophobicContact CE3-CD1 4.04Å; W284-Y360 AromaticContact CD2-CD1 3.92Å; W284-Y360 HydrophobicContact CD2-CD1 3.92Å; W284-Y360 HydrophobicContact CD2-CD2 4.46Å; W284-Y360 HydrophobicContact CD2-CE1 4.37Å; W284-Y360 AromaticContact CD2-CG 3.98Å; W284-Y360 HydrophobicContact CD2-CG 3.98Å; W284-Y360 AromaticContact CE3-CD1 3.73Å; W284-Y360 HydrophobicContact CE3-CD1 3.73Å; W284-Y360 HydrophobicContact CE3-CE1 4.16Å; W284-Y360 HydrophobicContact CE3-CG 4.23Å; W284-Y360 HydrophobicContact CG-CG 4.33Å; W284-Y360 AromaticContact CH2-CD1 3.87Å; W284-Y360 HydrophobicContact CH2-CD1 3.87Å; W284-Y360 AromaticContact CH2-CE1 3.4Å; W284-Y360 HydrophobicContact CH2-CE1 3.4Å; W284-Y360 AromaticContact CH2-CZ 3.86Å; W284-Y360 HydrophobicContact CZ2-CD1 4.07Å; W284-Y360 HydrophobicContact CZ2-CD2 4.48Å; W284-Y360 AromaticContact CZ2-CE1 3.65Å; W284-Y360 HydrophobicContact CZ2-CE1 3.65Å; W284-Y360 HydrophobicContact CZ2-CE2 4.1Å; W284-Y360 HydrophobicContact CZ2-CG 4.47Å; W284-Y360 AromaticContact CZ2-CZ 3.67Å; W284-Y360 AromaticContact CZ3-CD1 3.71Å; W284-Y360 HydrophobicContact CZ3-CD1 3.71Å; W284-Y360 AromaticContact CZ3-CE1 3.69Å; W284-Y360 HydrophobicContact CZ3-CE1 3.69Å
285H85.7Confident66.8Low38 Ų3874.3 Ų74.318%0.17643%0.432CS..SBendtrans-68.6-26.6179-71.5-174.7000113E237 K238 D242 A282E237-H285 CarbonylContact C-O 3.46Å; E237-H285 WeakPolarHBondContact CA-O 3.44Å; K238-H285 HydrophobicContact CB-CB 4.25Å; K238-H285 VanDerWaalsContact CD-CD2 3.46Å; K238-H285 WeakPolarHBondContact CD-CD2 3.34Å; K238-H285 PolarHBondContact N-O 3.14Å; K238-H285 PolarHBondContact NZ-NE2 3.47Å; D242-H285 IonicContact OD2-CE1 2.76Å; A282-H285 VanDerWaalsContact O-CB 3.3Å; A282-H285 WeakPolarHBondContact O-CB 3.34Å; A282-H285 PolarHBondContact O-N 3.38Å
286K88.8Confident68.4Low128 Ų12871 Ų7156%0.55741%0.413SS*.EExtended strand (participates in β ladder)trans-139.5111176-177.8168.3-177.5153.80108.5F236 E237 W284F236-K286 VanDerWaalsContact O-CA 3.31Å; F236-K286 WeakPolarHBondContact O-CA 3.4Å; E237-K286 HydrophobicContact CG-CB 4.32Å; E237-K286 HydrophobicContact CG-CD 4.09Å; E237-K286 HydrophobicContact CG-CG 3.9Å; E237-K286 WeakPolarHBondContact OE1-CD 3.41Å; E237-K286 WeakPolarHBondContact OE1-CE 3.21Å; E237-K286 IonicContact OE1-NZ 3.32Å; E237-K286 PolarHBondContact OE1-NZ 3.27Å; W284-K286 VanDerWaalsContact C-N 3.28Å; W284-K286 PolarHBondContact O-N 2.74Å
287T89.2Confident69.6Low8 Ų869.9 Ų69.95%0.04941%0.405CS..EExtended strand (participates in β ladder)trans-131.4134.1-179.557.50000110.2C235 F236 S283 P356 L357C235-T287 CarbonylContact C-O 3.46Å; C235-T287 WeakPolarHBondContact CA-O 3.19Å; F236-T287 PolarHBondContact N-O 3.41Å; F236-T287 PolarHBondContact O-N 2.95Å; S283-T287 WeakPolarHBondContact O-CG2 3.23Å; T287-P356 HydrophobicContact CG2-CB 4.44Å; T287-L357 HydrophobicContact CG2-CB 3.94Å
288R89.6Confident70.7Confident83 Ų8370.6 Ų70.631%0.31341%0.407SS..EExtended strand (participates in β ladder)trans-108.7108.5173.1-177.4-179.9-60.4-136.1-0.2108.2D202 A203 V233 L234D202-R288 WeakPolarHBondContact O-CD 3.3Å; A203-R288 VanDerWaalsContact O-CD 3.25Å; A203-R288 WeakPolarHBondContact O-CD 3.46Å; A203-R288 PolarHBondContact O-NH1 2.9Å; V233-R288 HydrophobicContact CG1-CG 3.38Å; L234-R288 WeakPolarHBondContact O-CA 3.33Å
289K89.9Confident71.8Confident62 Ų6275.6 Ų75.627%0.2741%0.407SS..EExtended strand (participates in β ladder)trans-146.4155.6-169.3-73-72.9161-166.60112.3L234 E353 S355L234-K289 PolarHBondContact N-O 3.29Å; L234-K289 PolarHBondContact O-N 3.2Å; K289-E353 HydrophobicContact CD-CG 4.34Å; K289-E353 WeakPolarHBondContact CD-OE2 3.34Å; K289-E353 IonicContact NZ-OE1 3.56Å; K289-S355 VanDerWaalsContact CG-CB 3.46Å
290M90.4Very high72.1Confident4 Ų473.1 Ų73.12%0.0240%0.396CS..EExtended strand (participates in β ladder)trans-74.8141.6-179.5-178.9-178.1-67.700111.2R167 V232 Y292 E353R167-M290 VanDerWaalsContact CD-CE 3.45Å; R167-M290 VanDerWaalsContact NE-CE 3.29Å; V232-M290 CarbonylContact O-C 3.55Å; V232-M290 WeakPolarHBondContact O-CA 3.39Å; M290-Y292 HydrophobicContact CG-CD1 4.22Å; M290-Y292 HydrophobicContact CG-CE1 4.31Å; M290-Y292 HydrophobicContact SD-CD1 3.54Å; M290-Y292 VanDerWaalsContact SD-CD1 3.54Å; M290-Y292 HydrophobicContact SD-CE1 3.5Å; M290-Y292 VanDerWaalsContact SD-CE1 3.5Å; M290-E353 HydrophobicContact CB-CB 4.07Å; M290-E353 WeakPolarHBondContact CB-OE2 3.39Å; M290-E353 PolarHBondContact N-OE2 3.21Å; M290-E353 VanDerWaalsContact N-OE2 3.12Å; M290-E353 WeakPolarHBondContact O-CB 3.33Å; M290-E353 PolarHBondContact O-N 3.42Å
291I90.9Very high72.3Confident0 Ų077.5 Ų77.50%040%0.395CS..EExtended strand (participates in β ladder)trans-97.6126.715456.8161.1000108.8P118 G231 V232 L234 F236 V293 Y350 E351 L352P118-I291 HydrophobicContact CB-CD1 4.41Å; G231-I291 CarbonylContact C-O 3.59Å; G231-I291 WeakPolarHBondContact CA-O 3.31Å; V232-I291 HydrophobicContact CB-CD1 4.48Å; V232-I291 HydrophobicContact CB-CG1 4.02Å; V232-I291 PolarHBondContact N-O 3.3Å; V232-I291 VanDerWaalsContact O-CG1 3.32Å; V232-I291 WeakPolarHBondContact O-CG1 3.35Å; V232-I291 PolarHBondContact O-N 3.02Å; L234-I291 HydrophobicContact CD1-CD1 3.81Å; L234-I291 HydrophobicContact CD1-CG1 4.09Å; L234-I291 HydrophobicContact CD1-CG2 3.92Å; L234-I291 HydrophobicContact CG-CD1 4.33Å; L234-I291 HydrophobicContact CG-CG1 4.26Å; F236-I291 HydrophobicContact CZ-CG2 4.32Å; I291-V293 PolarHBondContact O-N 2.84Å; I291-Y350 HydrophobicContact CD1-CD2 4.18Å; I291-Y350 HydrophobicContact CD1-CG 4.03Å; I291-E351 CarbonylContact C-O 3.47Å; I291-E351 WeakPolarHBondContact CA-O 3.18Å; I291-L352 HydrophobicContact CG2-CD1 4.08Å; I291-L352 HydrophobicContact CG2-CG 4.12Å
292Y89.2Confident72.3Confident55 Ų5573.9 Ų73.922%0.21638%0.376CS..EExtended strand (participates in β ladder)trans-72.6128.1177.5-63.3-57.1000109.6Q229 M290 E351 E353Q229-Y292 HydrophobicContact CB-CD1 4.4Å; Q229-Y292 HydrophobicContact CB-CE1 4.18Å; Q229-Y292 VanDerWaalsContact OE1-CZ 3.22Å; Q229-Y292 PolarHBondContact OE1-OH 3.23Å; M290-Y292 HydrophobicContact CG-CD1 4.22Å; M290-Y292 HydrophobicContact CG-CE1 4.31Å; M290-Y292 HydrophobicContact SD-CD1 3.54Å; M290-Y292 VanDerWaalsContact SD-CD1 3.54Å; M290-Y292 HydrophobicContact SD-CE1 3.5Å; M290-Y292 VanDerWaalsContact SD-CE1 3.5Å; Y292-E351 HydrophobicContact CD2-CB 4.23Å; Y292-E351 HydrophobicContact CD2-CG 4.26Å; Y292-E351 PolarHBondContact N-O 3.02Å; Y292-E353 HydrophobicContact CE2-CB 4.32Å
293V83.3Confident71.9Confident9 Ų976 Ų766%0.05539%0.385CS..  trans-109112175.3-178.90000107.1P118 H119 L121 T230 V232 I291 R295 Y350P118-V293 HydrophobicContact CB-CG2 4.19Å; P118-V293 WeakPolarHBondContact O-CG1 3.49Å; P118-V293 WeakPolarHBondContact O-CG2 3.38Å; H119-V293 WeakPolarHBondContact ND1-CG1 3.44Å; L121-V293 HydrophobicContact CD1-CB 3.81Å; L121-V293 HydrophobicContact CD1-CG1 3.92Å; L121-V293 HydrophobicContact CD1-CG2 4.02Å; T230-V293 PolarHBondContact O-N 3.03Å; T230-V293 PolarHBondContact OG1-O 2.98Å; V232-V293 HydrophobicContact CG2-CG2 3.88Å; I291-V293 PolarHBondContact O-N 2.84Å; V293-R295 PolarHBondContact O-N 3.06Å; V293-Y350 HydrophobicContact CG1-CE1 4.44Å; V293-Y350 HydrophobicContact CG2-CD1 4.14Å; V293-Y350 HydrophobicContact CG2-CE1 4.16Å
294P76.7Confident71.6Confident82 Ų8272.2 Ų72.253%0.53236%0.359SS..  trans-54.5133.6179.3-25.733.9000110.8I296P294-I296 PolarHBondContact O-N 2.91Å
295R67Low71.5Confident94 Ų9473 Ų7336%0.35536%0.363SS..  trans-66.3133.4173.6-63.9-174.6-173.6-178.3-0.4108.6N44 T230 V293 S297N44-R295 PolarHBondContact O-NH1 2.63Å; T230-R295 HydrophobicContact CG2-CG 4.05Å; T230-R295 VanDerWaalsContact CG2-NE 3.33Å; T230-R295 VanDerWaalsContact OG1-CG 3.29Å; T230-R295 WeakPolarHBondContact OG1-CG 3.31Å; V293-R295 PolarHBondContact O-N 3.06Å; R295-S297 PolarHBondContact O-N 2.86Å
296I60.8Low71.8Confident97 Ų9771.2 Ų71.250%0.49736%0.355SS..  trans-56.8110.8169.5-60170.9000106.9P294 G300 A302P294-I296 PolarHBondContact O-N 2.91Å; I296-G300 WeakPolarHBondContact CG2-O 3.43Å; I296-A302 HydrophobicContact CG1-CB 3.92Å
297S53.2Low72Confident71 Ų7165.1 Ų65.150%0.49733%0.329SS..  trans-58.8139.4168.1172.90000107.6R295 R299 G300R295-S297 PolarHBondContact O-N 2.86Å; S297-R299 PolarHBondContact O-N 2.93Å; S297-G300 PolarHBondContact O-N 2.84Å; S297-G300 VanDerWaalsContact O-O 3.12Å
298P51Low72.2Confident136 Ų13664.8 Ų64.888%0.88333%0.326SS*.THydrogen-bonded Turntrans-57.3-10-17922-33000114.1
299R45.2Very low72.4Confident240 Ų24060.8 Ų60.891%0.90631%0.311SS*.THydrogen-bonded Turntrans-109.84.7176.3-59.8-164.4-165.2-176.67.1115.7S297S297-R299 PolarHBondContact O-N 2.93Å
300G37.4Very low72.5Confident39 Ų3957.9 Ų57.940%0.40230%0.299SS..SBendtrans-151.9125.4-17700000112.7I296 S297 A302I296-G300 WeakPolarHBondContact CG2-O 3.43Å; S297-G300 PolarHBondContact O-N 2.84Å; S297-G300 VanDerWaalsContact O-O 3.12Å; G300-A302 PolarHBondContact O-N 2.89Å
301Y39.8Very low72.6Confident213 Ų21360 Ų6084%0.83531%0.31SS*.  trans-70.3111.1175.3-62.3-85.8000109.8V303Y301-V303 PolarHBondContact O-N 3.27Å
302A52.8Low72.6Confident32 Ų3260.9 Ų60.926%0.26431%0.314SS..  trans-76.6107.7155.300000106H119 I296 G300H119-A302 PolarHBondContact CD2-O 3.34Å; H119-A302 VanDerWaalsContact CD2-O 3.24Å; I296-A302 HydrophobicContact CG1-CB 3.92Å; G300-A302 PolarHBondContact O-N 2.89Å
303V62.9Low72.5Confident84 Ų8459.7 Ų59.751%0.50931%0.309SS..  trans-104.9117.7176.2-177.40000106.7Y301 H305Y301-V303 PolarHBondContact O-N 3.27Å; V303-H305 PolarHBondContact O-CE1 2.97Å; V303-H305 PolarHBondContact O-N 3.49Å; V303-H305 PolarHBondContact O-ND1 3.48Å
304S73.9Confident72.7Confident11 Ų1159.3 Ų59.38%0.07731%0.307CS..  trans-74.6122169.2510000105.5H119H119-S304 VanDerWaalsContact CD2-CB 3.46Å; H119-S304 WeakPolarHBondContact CD2-CB 3.32Å; H119-S304 PolarHBondContact CD2-N 3.08Å; H119-S304 PolarHBondContact NE2-N 3.42Å
305H83.4Confident73Confident47 Ų4758.4 Ų58.422%0.21830%0.297CS..  trans-78.1-39.3179.6-58.384.9000110.4V303 P346 D348 P449 R456V303-H305 PolarHBondContact O-CE1 2.97Å; V303-H305 PolarHBondContact O-N 3.49Å; V303-H305 PolarHBondContact O-ND1 3.48Å; H305-P346 HydrophobicContact CB-CB 4.26Å; H305-P346 VanDerWaalsContact CD2-CB 3.47Å; H305-P346 WeakPolarHBondContact CD2-CB 3.14Å; H305-D348 IonicContact CE1-OD1 2.83Å; H305-D348 IonicContact CG-OD1 3.32Å; H305-D348 VanDerWaalsContact N-CG 3.31Å; H305-D348 PolarHBondContact N-OD1 3.01Å; H305-D348 PolarHBondContact N-OD2 3.26Å; H305-D348 IonicContact ND1-OD1 3.41Å; H305-D348 PolarHBondContact ND1-OD1 2.95Å; H305-P449 WeakPolarHBondContact O-CB 3.18Å; H305-R456 PolarHBondContact CD2-NH2 3.37Å; H305-R456 VanDerWaalsContact CD2-NH2 3.34Å; H305-R456 PolarHBondContact NE2-NH1 3.14Å; H305-R456 PolarHBondContact NE2-NH2 3.37Å
306W92.2Very high73.7Confident1 Ų157 Ų570%0.00430%0.301CS..SBendtrans-120.2127.4-168.1-59.1106.6000111.9F345 P346 D348 V404 P406 Y446 P449 L450 A453W306-F345 AromaticContact CE2-CE1 3.89Å; W306-F345 HydrophobicContact CH2-CE1 4.25Å; W306-F345 AromaticContact CH2-CZ 3.96Å; W306-F345 HydrophobicContact CH2-CZ 3.96Å; W306-F345 AromaticContact CZ2-CE1 3.36Å; W306-F345 HydrophobicContact CZ2-CE1 3.36Å; W306-F345 AromaticContact CZ2-CZ 3.47Å; W306-F345 HydrophobicContact CZ2-CZ 3.47Å; W306-F345 VanDerWaalsContact CZ2-CZ 3.47Å; W306-F345 AromaticContact NE1-CE1 3.96Å; W306-P346 PolarHBondContact NE1-O 3.46Å; W306-D348 PolarHBondContact N-OD2 2.89Å; W306-V404 HydrophobicContact CB-CG1 3.81Å; W306-P406 HydrophobicContact CD2-CG 4.2Å; W306-P406 HydrophobicContact CE3-CB 4.24Å; W306-P406 HydrophobicContact CE3-CG 4.29Å; W306-P406 HydrophobicContact CH2-CB 3.95Å; W306-P406 HydrophobicContact CH2-CG 3.56Å; W306-P406 HydrophobicContact CZ2-CB 4.34Å; W306-P406 HydrophobicContact CZ2-CG 3.51Å; W306-P406 HydrophobicContact CZ3-CB 3.89Å; W306-P406 HydrophobicContact CZ3-CG 3.97Å; W306-Y446 AromaticContact CE3-CD1 3.76Å; W306-Y446 HydrophobicContact CE3-CD1 3.76Å; W306-Y446 HydrophobicContact CE3-CE1 4.06Å; W306-Y446 HydrophobicContact CZ3-CD1 4.05Å; W306-P449 HydrophobicContact CE3-CB 3.73Å; W306-P449 HydrophobicContact CH2-CB 4.2Å; W306-P449 HydrophobicContact CZ3-CB 3.57Å; W306-L450 HydrophobicContact CH2-CB 4.23Å; W306-L450 HydrophobicContact CH2-CD1 4.09Å; W306-L450 HydrophobicContact CZ3-CB 4.35Å; W306-A453 HydrophobicContact CH2-CB 3.89Å; W306-A453 HydrophobicContact CZ2-CB 3.57Å
307P93Very high74.9Confident0 Ų060.1 Ų60.10%032%0.315CS..PPolyproline II helixtrans-71.9153.1169.529.3-30.8000110.3R116 Y117 Y445 Y446R116-P307 CarbonylContact O-C 3.55Å; R116-P307 WeakPolarHBondContact O-CA 3.44Å; Y117-P307 HydrophobicContact CD1-CB 4.04Å; Y117-P307 HydrophobicContact CD2-CB 4.23Å; Y117-P307 HydrophobicContact CE1-CB 3.8Å; Y117-P307 HydrophobicContact CE1-CG 4.01Å; Y117-P307 HydrophobicContact CE2-CB 3.96Å; Y117-P307 HydrophobicContact CE2-CG 4.39Å; Y117-P307 HydrophobicContact CG-CB 4.26Å; P307-Y445 HydrophobicContact CG-CD2 4.15Å; P307-Y445 HydrophobicContact CG-CE2 4.25Å; P307-Y446 HydrophobicContact CG-CD1 4.49Å; P307-Y446 HydrophobicContact CG-CE1 4.1Å; P307-Y446 HydrophobicContact CG-CE2 4.33Å; P307-Y446 PolarHBondContact O-OH 2.94Å
308I94.2Very high76.4Confident0 Ų059.1 Ų59.10%030%0.303CS..BIsolated β-bridgetrans-71.2134158.1-62.1-179.7000106.7G115 R116 P118 W164 L234 F388G115-I308 CarbonylContact C-O 3.57Å; G115-I308 WeakPolarHBondContact CA-O 3.25Å; R116-I308 HydrophobicContact CB-CB 4.43Å; R116-I308 PolarHBondContact N-O 2.94Å; R116-I308 PolarHBondContact O-N 3.45Å; P118-I308 HydrophobicContact CG-CD1 4.09Å; P118-I308 HydrophobicContact CG-CG1 4.21Å; W164-I308 HydrophobicContact CZ3-CD1 4.18Å; L234-I308 HydrophobicContact CD1-CD1 4.09Å; L234-I308 HydrophobicContact CD2-CD1 3.97Å; I308-F388 HydrophobicContact CG1-CE2 4.35Å; I308-F388 HydrophobicContact CG2-CE2 4.3Å; I308-F388 HydrophobicContact CG2-CZ 4.37Å
309P93.6Very high78.1Confident0 Ų057.4 Ų57.40%029%0.291CS..PPolyproline II helixtrans-65.5168.7-17421.8-26.9000112.4L375 F388 Y407 Y445 Y446P309-L375 VanDerWaalsContact C-CD2 3.44Å; P309-L375 HydrophobicContact CB-CD2 4.14Å; P309-L375 HydrophobicContact CG-CB 3.85Å; P309-L375 HydrophobicContact CG-CD2 3.81Å; P309-L375 HydrophobicContact CG-CG 4.49Å; P309-L375 WeakPolarHBondContact O-CD2 3.33Å; P309-F388 HydrophobicContact CG-CB 4.15Å; P309-F388 HydrophobicContact CG-CD1 3.93Å; P309-F388 HydrophobicContact CG-CE1 4.5Å; P309-F388 HydrophobicContact CG-CG 3.94Å; P309-Y407 HydrophobicContact CB-CD2 4.27Å; P309-Y407 HydrophobicContact CB-CE2 4.37Å; P309-Y407 HydrophobicContact CG-CD2 4.25Å; P309-Y407 HydrophobicContact CG-CE2 4.32Å; P309-Y445 WeakPolarHBondContact CA-OH 3.38Å; P309-Y446 HydrophobicContact CB-CE2 4.1Å; P309-Y446 WeakPolarHBondContact CD-OH 3.48Å
310E92.5Very high80.2Confident0 Ų050 Ų500%028%0.275CS..PPolyproline II helixtrans-78154.2170.5-70.8-52.513600111.9G115 F312 R324 L375 S378 Y445G115-E310 WeakPolarHBondContact CA-OE1 3.39Å; G115-E310 PolarHBondContact N-OE1 3.12Å; E310-F312 HydrophobicContact CB-CD1 4.03Å; E310-F312 HydrophobicContact CB-CE1 4Å; E310-F312 HydrophobicContact CB-CG 4.4Å; E310-F312 HydrophobicContact CB-CZ 4.34Å; E310-F312 VanDerWaalsContact CB-O 3.29Å; E310-F312 WeakPolarHBondContact CB-O 3.49Å; E310-F312 HydrophobicContact CG-CE1 4.06Å; E310-F312 HydrophobicContact CG-CZ 4.12Å; E310-F312 PolarHBondContact O-N 3.06Å; E310-F312 WeakPolarHBondContact OE2-CE1 3.26Å; E310-R324 IonicContact OE1-CZ 3.35Å; E310-R324 IonicContact OE1-NE 2.73Å; E310-R324 PolarHBondContact OE1-NE 3Å; E310-R324 IonicContact OE1-NH2 3.08Å; E310-R324 PolarHBondContact OE1-NH2 3.06Å; E310-R324 IonicContact OE2-CZ 3.47Å; E310-R324 IonicContact OE2-NE 3.59Å; E310-R324 PolarHBondContact OE2-NE 3.44Å; E310-R324 IonicContact OE2-NH2 2.72Å; E310-R324 PolarHBondContact OE2-NH2 3.46Å; E310-L375 VanDerWaalsContact C-CD2 3.49Å; E310-L375 WeakPolarHBondContact O-CD2 3.49Å; E310-S378 WeakPolarHBondContact O-CA 3.29Å; E310-S378 WeakPolarHBondContact O-CB 3.28Å; E310-Y445 HydrophobicContact CG-CE1 4.22Å; E310-Y445 PolarHBondContact N-OH 3.08Å
311N91.3Very high82.7Confident49 Ų4949.4 Ų49.426%0.26226%0.263SS..SBendtrans-77.113.8170.965-51.4000113P376N311-P376 WeakPolarHBondContact CA-O 3.33Å
312F91Very high85.2Confident18 Ų1841.5 Ų41.58%0.07924%0.238CC..SBendtrans-151.3157.6176.664.9-88.6000109.5E310 P314 L321 P322 R324 G377E310-F312 HydrophobicContact CB-CD1 4.03Å; E310-F312 HydrophobicContact CB-CE1 4Å; E310-F312 HydrophobicContact CB-CG 4.4Å; E310-F312 HydrophobicContact CB-CZ 4.34Å; E310-F312 VanDerWaalsContact CB-O 3.29Å; E310-F312 WeakPolarHBondContact CB-O 3.49Å; E310-F312 HydrophobicContact CG-CE1 4.06Å; E310-F312 HydrophobicContact CG-CZ 4.12Å; E310-F312 PolarHBondContact O-N 3.06Å; E310-F312 WeakPolarHBondContact OE2-CE1 3.26Å; F312-P314 HydrophobicContact CE2-CB 4.48Å; F312-L321 HydrophobicContact CE2-CD2 3.96Å; F312-L321 HydrophobicContact CZ-CD2 4.06Å; F312-P322 HydrophobicContact CB-CB 4.48Å; F312-P322 HydrophobicContact CB-CG 4Å; F312-P322 HydrophobicContact CD1-CB 4.24Å; F312-P322 HydrophobicContact CD1-CG 4.14Å; F312-P322 HydrophobicContact CD2-CG 3.87Å; F312-P322 HydrophobicContact CE2-CG 4.39Å; F312-P322 HydrophobicContact CG-CB 4.27Å; F312-P322 HydrophobicContact CG-CG 3.73Å; F312-R324 HydrophobicContact CE1-CG 4.29Å; F312-G377 CarbonylContact C-O 3.56Å; F312-G377 VanDerWaalsContact C-O 3.24Å; F312-G377 WeakPolarHBondContact CA-O 3.46Å; F312-G377 PolarHBondContact N-O 3.04Å
313W88.4Confident87Confident30 Ų3044.1 Ų44.111%0.11425%0.25CS..  trans-85.4124172.3-175.8-82.3000110.8D315 G377 R380 S441 I442 P443W313-D315 PolarHBondContact O-N 2.8Å; W313-D315 VanDerWaalsContact O-N 3.1Å; W313-G377 PolarHBondContact N-O 3.06Å; W313-R380 HydrophobicContact CB-CG 4.45Å; W313-R380 HydrophobicContact CD2-CG 3.46Å; W313-R380 VanDerWaalsContact CD2-CG 3.46Å; W313-R380 HydrophobicContact CE3-CG 3.88Å; W313-R380 HydrophobicContact CG-CG 3.68Å; W313-R380 HydrophobicContact CH2-CG 4.34Å; W313-R380 HydrophobicContact CZ2-CG 4.07Å; W313-R380 HydrophobicContact CZ3-CG 4.3Å; W313-R380 VanDerWaalsContact NE1-NH2 3.13Å; W313-S441 VanDerWaalsContact CH2-O 3.3Å; W313-S441 WeakPolarHBondContact CH2-O 3.42Å; W313-S441 WeakPolarHBondContact CZ3-O 3.38Å; W313-I442 WeakPolarHBondContact CH2-O 3.43Å; W313-P443 HydrophobicContact CE3-CG 4.2Å; W313-P443 HydrophobicContact CH2-CG 4.5Å; W313-P443 HydrophobicContact CZ3-CB 4.31Å; W313-P443 HydrophobicContact CZ3-CG 3.85Å
314P85.8Confident88.4Confident1 Ų140.4 Ų40.41%0.00623%0.227CC..  trans-72.9105.3174.530.8-35000110F312 Y445 F470 L471F312-P314 HydrophobicContact CE2-CB 4.48Å; P314-Y445 HydrophobicContact CG-CD1 3.86Å; P314-Y445 HydrophobicContact CG-CE1 3.73Å; P314-F470 HydrophobicContact CB-CD2 4.39Å; P314-F470 HydrophobicContact CB-CE2 3.93Å; P314-F470 HydrophobicContact CG-CE2 4.12Å; P314-L471 HydrophobicContact CB-CD2 3.94Å
315D82.9Confident89.4Confident63 Ų6341.9 Ų41.934%0.33724%0.236SC..  trans-96.5127.5174-178.4-12000109.7W313 M317 M318W313-D315 PolarHBondContact O-N 2.8Å; W313-D315 VanDerWaalsContact O-N 3.1Å; D315-M317 PolarHBondContact O-N 2.98Å; D315-M317 PolarHBondContact OD1-N 3.46Å; D315-M318 HydrophobicContact CB-CG 3.86Å; D315-M318 HydrophobicContact CB-SD 3.84Å; D315-M318 PolarHBondContact N-SD 3.35Å; D315-M318 WeakPolarHBondContact O-CB 3.46Å; D315-M318 WeakPolarHBondContact O-CG 3.46Å; D315-M318 PolarHBondContact O-N 3.13Å
316P82.4Confident89.8Confident66 Ų6639.7 Ų39.743%0.42923%0.226SC..THydrogen-bonded Turntrans-52.5-23.7174.7-26.433.4000114.8M318 N472P316-M318 VanDerWaalsContact C-N 3.3Å; P316-M318 PolarHBondContact O-N 2.91Å; P316-N472 WeakPolarHBondContact O-CB 3.47Å; P316-N472 PolarHBondContact O-ND2 2.97Å
317M85.2Confident89.9Confident161 Ų16139.9 Ų39.979%0.79323%0.227SC*.THydrogen-bonded Turntrans-77.7-10.9178.2-60.4-166.6-177.500113.9D315 T319D315-M317 PolarHBondContact O-N 2.98Å; D315-M317 PolarHBondContact OD1-N 3.46Å; M317-T319 PolarHBondContact O-N 3.29Å
318M85.8Confident89.9Confident50 Ų5040.1 Ų40.125%0.24623%0.228CC..  trans-74.3115.5-176.4-65.6172.476.900111.8D315 P316 S320 P322 N472 V475D315-M318 HydrophobicContact CB-CG 3.86Å; D315-M318 HydrophobicContact CB-SD 3.84Å; D315-M318 PolarHBondContact N-SD 3.35Å; D315-M318 WeakPolarHBondContact O-CB 3.46Å; D315-M318 WeakPolarHBondContact O-CG 3.46Å; D315-M318 PolarHBondContact O-N 3.13Å; P316-M318 VanDerWaalsContact C-N 3.3Å; P316-M318 PolarHBondContact O-N 2.91Å; M318-S320 VanDerWaalsContact C-N 3.3Å; M318-S320 PolarHBondContact O-N 3.22Å; M318-P322 VanDerWaalsContact CE-CD 3.41Å; M318-P322 HydrophobicContact CE-CG 3.45Å; M318-P322 VanDerWaalsContact CE-CG 3.45Å; M318-N472 WeakPolarHBondContact O-CB 3.43Å; M318-V475 WeakPolarHBondContact O-CG2 3.5Å
319T87.4Confident89.9Confident101 Ų10142.1 Ų42.162%0.6224%0.241SC*.SBendtrans-76.6-17.5177.852.40000113.7M317 S474 V475M317-T319 PolarHBondContact O-N 3.29Å; T319-S474 WeakPolarHBondContact CA-OG 3.47Å; T319-S474 PolarHBondContact O-OG 3Å; T319-V475 WeakPolarHBondContact O-CG2 3.2Å
320S89.2Confident89.9Confident83 Ų8342.1 Ų42.158%0.5824%0.241SC*.SBendtrans-143146.5178.456.70000110.1M318M318-S320 VanDerWaalsContact C-N 3.3Å; M318-S320 PolarHBondContact O-N 3.22Å
321L89.9Confident90Very high27 Ų2744.7 Ų44.714%0.14125%0.252CS..PPolyproline II helixtrans-82.1145.5177.3-68.4173.1000111.5F112 F312 L471 V475 L479F112-L321 HydrophobicContact CB-CD1 3.81Å; F312-L321 HydrophobicContact CE2-CD2 3.96Å; F312-L321 HydrophobicContact CZ-CD2 4.06Å; L321-L471 HydrophobicContact CD2-CD2 4.37Å; L321-V475 HydrophobicContact CD1-CG1 3.59Å; L321-V475 HydrophobicContact CD2-CG1 4.13Å; L321-V475 HydrophobicContact CG-CG1 3.57Å; L321-V475 HydrophobicContact CG-CG2 4.41Å; L321-L479 HydrophobicContact CD1-CD1 4.26Å
322P91.3Very high90.1Very high48 Ų4842.3 Ų42.331%0.31224%0.239SC..PPolyproline II helixtrans-66.3154.3169.7-17.334.1000110.7F312 M318 R324F312-P322 HydrophobicContact CB-CB 4.48Å; F312-P322 HydrophobicContact CB-CG 4Å; F312-P322 HydrophobicContact CD1-CB 4.24Å; F312-P322 HydrophobicContact CD1-CG 4.14Å; F312-P322 HydrophobicContact CD2-CG 3.87Å; F312-P322 HydrophobicContact CE2-CG 4.39Å; F312-P322 HydrophobicContact CG-CB 4.27Å; F312-P322 HydrophobicContact CG-CG 3.73Å; M318-P322 VanDerWaalsContact CE-CD 3.41Å; M318-P322 HydrophobicContact CE-CG 3.45Å; M318-P322 VanDerWaalsContact CE-CG 3.45Å; P322-R324 PolarHBondContact O-N 3.45Å
323T91.3Very high90.1Very high86 Ų8642.1 Ų42.153%0.52824%0.24SC..PPolyproline II helixtrans-68.9131.2176.858.50000110.5E156E156-T323 WeakPolarHBondContact O-CG2 3.49Å
324R92.5Very high90Very high7 Ų741.5 Ų41.53%0.02624%0.24CC..BIsolated β-bridgetrans-83.1145.7174.8-76.8-176.6172.2173.2-4110.2N111 F112 L157 I158 S159 E310 F312 P322N111-R324 PolarHBondContact O-NH1 3.46Å; N111-R324 PolarHBondContact O-NH2 3.09Å; F112-R324 VanDerWaalsContact CA-CZ 3.45Å; L157-R324 PolarHBondContact O-N 3.43Å; I158-R324 CarbonylContact C-O 3.27Å; I158-R324 VanDerWaalsContact CA-O 3.27Å; I158-R324 WeakPolarHBondContact CA-O 3.48Å; I158-R324 HydrophobicContact CG1-CB 4.26Å; S159-R324 PolarHBondContact N-O 2.69Å; S159-R324 PolarHBondContact OG-O 3.12Å; E310-R324 IonicContact OE1-CZ 3.35Å; E310-R324 IonicContact OE1-NE 2.73Å; E310-R324 PolarHBondContact OE1-NE 3Å; E310-R324 IonicContact OE1-NH2 3.08Å; E310-R324 PolarHBondContact OE1-NH2 3.06Å; E310-R324 IonicContact OE2-CZ 3.47Å; E310-R324 IonicContact OE2-NE 3.59Å; E310-R324 PolarHBondContact OE2-NE 3.44Å; E310-R324 IonicContact OE2-NH2 2.72Å; E310-R324 PolarHBondContact OE2-NH2 3.46Å; F312-R324 HydrophobicContact CE1-CG 4.29Å; P322-R324 PolarHBondContact O-N 3.45Å
325T93.1Very high89.9Confident41 Ų4149.7 Ų49.725%0.25227%0.271SS..PPolyproline II helixtrans-75.5141.1161.662.10000109.5R116 V327R116-T325 PolarHBondContact NH1-O 3.11Å; R116-T325 PolarHBondContact NH2-O 3.25Å; T325-V327 VanDerWaalsContact C-N 3.33Å; T325-V327 PolarHBondContact O-N 3.18Å; T325-V327 PolarHBondContact OG1-O 3.34Å
326A92.7Very high90Very high2 Ų250.6 Ų50.62%0.01727%0.272CS..SBendtrans-58.4-48.3177.300000110.6R116 I158 E160 F162 W164R116-A326 PolarHBondContact NH1-O 3.32Å; I158-A326 HydrophobicContact CG2-CB 3.91Å; E160-A326 HydrophobicContact CB-CB 3.9Å; E160-A326 HydrophobicContact CG-CB 4.33Å; E160-A326 PolarHBondContact OE2-N 3.32Å; F162-A326 HydrophobicContact CD2-CB 4.02Å; F162-A326 HydrophobicContact CE2-CB 3.89Å; F162-A326 WeakPolarHBondContact O-CB 3.37Å; W164-A326 WeakPolarHBondContact CB-O 3.34Å
327V93.5Very high90Very high5 Ų550.7 Ų50.73%0.0327%0.267CS..SBendtrans-99.6124.8177.4174.90000110.2F162 V233 C235 T325F162-V327 HydrophobicContact CE2-CG2 4.17Å; V233-V327 HydrophobicContact CB-CG2 4.41Å; V233-V327 HydrophobicContact CG1-CG1 4.29Å; V233-V327 HydrophobicContact CG1-CG2 4.26Å; C235-V327 HydrophobicContact CB-CG1 3.97Å; T325-V327 VanDerWaalsContact C-N 3.33Å; T325-V327 PolarHBondContact O-N 3.18Å; T325-V327 PolarHBondContact OG1-O 3.34Å
328P94.2Very high90Very high4 Ų449.6 Ų49.63%0.02626%0.26CS..  trans-67136174.4-9.521.9000111.3W164 L234 C235 L375W164-P328 HydrophobicContact CE3-CG 3.89Å; W164-P328 HydrophobicContact CZ3-CG 4.33Å; L234-P328 HydrophobicContact CD2-CB 4.06Å; L234-P328 HydrophobicContact CD2-CG 3.53Å; C235-P328 PolarHBondContact N-O 3.15Å; P328-L375 HydrophobicContact CB-CD1 4.22Å
329V93.8Very high89.6Confident43 Ų4348.8 Ų48.826%0.26126%0.258SS..EExtended strand (participates in β ladder)trans-96.895.5175.1-174.90000109.5C235 E237 L375 P376C235-V329 HydrophobicContact CB-CG2 4.31Å; C235-V329 CarbonylContact O-C 3.57Å; C235-V329 WeakPolarHBondContact O-CA 3.26Å; E237-V329 HydrophobicContact CB-CG1 4.4Å; E237-V329 HydrophobicContact CG-CG1 4.16Å; E237-V329 WeakPolarHBondContact OE2-CG1 3.45Å; V329-L375 WeakPolarHBondContact O-CD1 3.36Å; V329-P376 VanDerWaalsContact O-CD 3.28Å; V329-P376 WeakPolarHBondContact O-CD 3.14Å
330V94.7Very high88.9Confident0 Ų048 Ų480%025%0.25CC..EExtended strand (participates in β ladder)trans-85.4118.3179.3-179.50000109.5L234 C235 F236 E237 T373 L375 F388L234-V330 HydrophobicContact CD1-CG2 4.44Å; C235-V330 PolarHBondContact O-N 2.93Å; F236-V330 CarbonylContact C-O 3.58Å; F236-V330 VanDerWaalsContact CA-O 3.28Å; F236-V330 WeakPolarHBondContact CA-O 3.37Å; F236-V330 HydrophobicContact CD1-CB 4.13Å; F236-V330 HydrophobicContact CD1-CG1 4.18Å; F236-V330 HydrophobicContact CE1-CB 4.32Å; F236-V330 HydrophobicContact CE1-CG1 4.24Å; E237-V330 PolarHBondContact N-O 3.31Å; V330-T373 HydrophobicContact CG1-CG2 3.95Å; V330-L375 HydrophobicContact CG2-CD1 4.26Å; V330-F388 HydrophobicContact CG1-CE1 4.11Å; V330-F388 HydrophobicContact CG1-CZ 3.86Å; V330-F388 HydrophobicContact CG2-CZ 4.06Å
331K94Very high88.4Confident53 Ų5347.1 Ų47.123%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-89.9138.7175-71-176.5177.4-178.90110.4E237 F239 T373 F374 P376 L384E237-K331 HydrophobicContact CB-CG 4.26Å; E237-K331 CarbonylContact O-C 3.56Å; E237-K331 WeakPolarHBondContact O-CA 3.32Å; F239-K331 HydrophobicContact CB-CB 4.06Å; F239-K331 HydrophobicContact CB-CD 4.38Å; F239-K331 HydrophobicContact CD2-CD 4.27Å; K331-T373 CarbonylContact O-C 3.51Å; K331-T373 WeakPolarHBondContact O-CA 3.4Å; K331-F374 PolarHBondContact N-O 2.85Å; K331-F374 PolarHBondContact O-N 3.35Å; K331-P376 HydrophobicContact CD-CG 4.47Å; K331-L384 HydrophobicContact CB-CD1 4.1Å; K331-L384 HydrophobicContact CD-CD1 3.72Å
332F93Very high87.9Confident0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-124.1145176.364.2-89.3000111.5F236 E237 K238 F239 W284 L357 W371 H372 T373 L391F236-F332 HydrophobicContact CB-CD1 4.06Å; F236-F332 HydrophobicContact CB-CE1 3.94Å; E237-F332 VanDerWaalsContact C-CE1 3.41Å; E237-F332 VanDerWaalsContact O-CD1 3.27Å; E237-F332 WeakPolarHBondContact O-CD1 3.47Å; E237-F332 PolarHBondContact O-N 3.07Å; K238-F332 HydrophobicContact CB-CE1 4.35Å; K238-F332 HydrophobicContact CB-CE2 4.05Å; K238-F332 HydrophobicContact CB-CZ 3.77Å; K238-F332 HydrophobicContact CG-CE2 4.17Å; K238-F332 HydrophobicContact CG-CZ 4.38Å; F239-F332 PolarHBondContact N-O 3.1Å; W284-F332 HydrophobicContact CE3-CZ 4.43Å; W284-F332 HydrophobicContact CZ3-CE2 4.12Å; W284-F332 HydrophobicContact CZ3-CZ 4.29Å; F332-L357 HydrophobicContact CE1-CD1 4.11Å; F332-L357 HydrophobicContact CE1-CD2 4.01Å; F332-L357 HydrophobicContact CE2-CD1 3.99Å; F332-L357 HydrophobicContact CZ-CD1 3.57Å; F332-L357 HydrophobicContact CZ-CD2 4.32Å; F332-W371 AromaticContact CD2-CE3 3.84Å; F332-W371 HydrophobicContact CD2-CE3 3.84Å; F332-W371 HydrophobicContact CD2-CZ3 4.3Å; F332-W371 HydrophobicContact CE2-CE3 4.06Å; F332-W371 HydrophobicContact CE2-CZ3 4.04Å; F332-H372 WeakPolarHBondContact CA-O 3.37Å; F332-T373 HydrophobicContact CB-CG2 4.28Å; F332-L391 HydrophobicContact CB-CD1 4.23Å; F332-L391 HydrophobicContact CD1-CD1 4.49Å; F332-L391 HydrophobicContact CG-CD1 4.28Å
333S90.2Very high87.1Confident14 Ų1450 Ų5010%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-103.7124178.7168.90000110.3R335 W371 H372S333-R335 PolarHBondContact O-N 2.91Å; S333-R335 WeakPolarHBondContact OG-CG 3.49Å; S333-W371 WeakPolarHBondContact O-CB 3.39Å; S333-H372 PolarHBondContact N-O 2.94Å; S333-H372 VanDerWaalsContact N-O 3.1Å
334C86Confident86.4Confident16 Ų1650.3 Ų50.311%0.10826%0.255CS..  trans-73.428178.2-63.50000114.2
335R85.7Confident86.1Confident173 Ų17350.3 Ų50.365%0.65326%0.255SS*.  trans-87.1119.7173.7-69.7-177.9-178.3-179.11.1108.8S333 Q337S333-R335 PolarHBondContact O-N 2.91Å; S333-R335 WeakPolarHBondContact OG-CG 3.49Å; R335-Q337 PolarHBondContact O-N 3.12Å
336F83.4Confident85.8Confident83 Ų8348.9 Ų48.936%0.36425%0.246SC..  trans-64.6117.5175.2-68.2-68.8000110.3L364 K366 H369 W371F336-L364 HydrophobicContact CE1-CD1 4.34Å; F336-L364 HydrophobicContact CZ-CD1 4.3Å; F336-K366 HydrophobicContact CE1-CD 4.04Å; F336-K366 HydrophobicContact CZ-CD 4.26Å; F336-H369 HydrophobicContact CB-CB 4.32Å; F336-H369 HydrophobicContact CD1-CB 3.64Å; F336-H369 AromaticContact CD1-CG 3.88Å; F336-H369 HydrophobicContact CG-CB 4.44Å; F336-W371 AromaticContact CD1-NE1 3.93Å; F336-W371 AromaticContact CE1-NE1 3.87Å
337Q83.3Confident85.6Confident68 Ų6852.7 Ų52.732%0.31826%0.263SS..BIsolated β-bridgetrans-130.3148.6174.9-73.4170.585.800109.3R335 H369 C370 H372R335-Q337 PolarHBondContact O-N 3.12Å; Q337-H369 CarbonylContact O-C 3.56Å; Q337-H369 WeakPolarHBondContact O-CA 3.41Å; Q337-C370 PolarHBondContact N-O 3.49Å; Q337-C370 PolarHBondContact O-N 2.93Å; Q337-C370 PolarHBondContact O-SG 3.46Å; Q337-H372 VanDerWaalsContact CD-CE1 3.45Å; Q337-H372 PolarHBondContact NE2-ND1 3.27Å; Q337-H372 PolarHBondContact OE1-CE1 3.47Å; Q337-H372 PolarHBondContact OE1-ND1 3.33Å
338E84.5Confident85.4Confident137 Ų13753 Ų5364%0.6426%0.264SS*.  trans-76.7141.8171.3-66-169.1161.700109.4D340E338-D340 PolarHBondContact O-N 3.34Å; E338-D340 VanDerWaalsContact O-N 3.07Å
339P78.4Confident85.3Confident33 Ų3358.3 Ų58.321%0.21429%0.286CS..  trans-71.3105.2-178.728.3-33.8000110.2L341 K368 C370 F390 K392P339-L341 PolarHBondContact O-N 2.84Å; P339-K368 WeakPolarHBondContact CD-O 3.49Å; P339-C370 HydrophobicContact CB-CB 4.49Å; P339-F390 HydrophobicContact CB-CE1 4.24Å; P339-F390 HydrophobicContact CB-CE2 3.98Å; P339-F390 HydrophobicContact CB-CZ 3.68Å; P339-K392 HydrophobicContact CB-CD 4.48Å; P339-K392 HydrophobicContact CG-CD 4.33Å
340D73.1Confident85.3Confident84 Ų8456.4 Ų56.445%0.44928%0.275SS..  trans-70.398.2170.2-66.1-37.2000108.9E338 F409 F413E338-D340 PolarHBondContact O-N 3.34Å; E338-D340 VanDerWaalsContact O-N 3.07Å; D340-F409 HydrophobicContact CB-CE2 4.49Å; D340-F413 HydrophobicContact CB-CD2 4.19Å; D340-F413 VanDerWaalsContact O-CD2 3.29Å; D340-F413 WeakPolarHBondContact O-CD2 3.47Å; D340-F413 WeakPolarHBondContact O-CE2 3.13Å
341L78.4Confident85.2Confident65 Ų6560.3 Ų60.334%0.3429%0.293SS..  trans-122.6127175-70.3175.2000109.9P339 F347 F390 L405P339-L341 PolarHBondContact O-N 2.84Å; L341-F347 HydrophobicContact CD2-CD1 4.49Å; L341-F390 HydrophobicContact CD1-CZ 4.18Å; L341-F390 HydrophobicContact CD2-CE1 4.12Å; L341-F390 HydrophobicContact CD2-CZ 3.92Å; L341-F390 HydrophobicContact CG-CE1 4.47Å; L341-F390 HydrophobicContact CG-CZ 4.04Å; L341-L405 HydrophobicContact CD2-CD1 4.14Å; L341-L405 HydrophobicContact CD2-CD2 4.22Å
342L78.6Confident85.2Confident12 Ų1258 Ų586%0.06328%0.283CS..  trans-85.6130.9169.8-68.7173.2000109.4D344 F345 F413 I416 E417L342-D344 PolarHBondContact O-N 3.4Å; L342-D344 VanDerWaalsContact O-N 3.14Å; L342-F345 HydrophobicContact CB-CB 3.71Å; L342-F345 HydrophobicContact CD1-CD2 4.4Å; L342-F345 PolarHBondContact O-N 3.23Å; L342-F413 HydrophobicContact CD1-CB 4.12Å; L342-F413 HydrophobicContact CD1-CD1 3.38Å; L342-F413 HydrophobicContact CD1-CE1 3.84Å; L342-F413 HydrophobicContact CD1-CG 3.79Å; L342-F413 HydrophobicContact CG-CB 4.36Å; L342-F413 HydrophobicContact CG-CD1 4.05Å; L342-F413 HydrophobicContact CG-CD2 4.4Å; L342-F413 HydrophobicContact CG-CE1 4.4Å; L342-F413 HydrophobicContact CG-CG 4.03Å; L342-I416 HydrophobicContact CD1-CB 4.01Å; L342-I416 HydrophobicContact CD1-CD1 4.05Å; L342-I416 HydrophobicContact CD1-CG2 3.75Å; L342-E417 HydrophobicContact CD2-CG 3.82Å
343T74Confident85.1Confident124 Ų12459.7 Ų59.776%0.76129%0.291SS*.THydrogen-bonded Turntrans-54.1-36.2-173.852.60000114.5
344D78.1Confident85.1Confident93 Ų9363.7 Ų63.750%0.49732%0.316SS..THydrogen-bonded Turntrans-103.82.7-171.6-39.6-40.9000112.4L342 R420L342-D344 PolarHBondContact O-N 3.4Å; L342-D344 VanDerWaalsContact O-N 3.14Å; D344-R420 IonicContact OD2-NH1 2.67Å
345F85.5Confident85.3Confident7 Ų763.5 Ų63.53%0.03132%0.316CS..SBendtrans-90.8128-174.4-163.3-79.5000110.5W306 L342 F347 P406 L412 F413 I416 A453 I457W306-F345 AromaticContact CE2-CE1 3.89Å; W306-F345 HydrophobicContact CH2-CE1 4.25Å; W306-F345 AromaticContact CH2-CZ 3.96Å; W306-F345 HydrophobicContact CH2-CZ 3.96Å; W306-F345 AromaticContact CZ2-CE1 3.36Å; W306-F345 HydrophobicContact CZ2-CE1 3.36Å; W306-F345 AromaticContact CZ2-CZ 3.47Å; W306-F345 HydrophobicContact CZ2-CZ 3.47Å; W306-F345 VanDerWaalsContact CZ2-CZ 3.47Å; W306-F345 AromaticContact NE1-CE1 3.96Å; L342-F345 HydrophobicContact CB-CB 3.71Å; L342-F345 HydrophobicContact CD1-CD2 4.4Å; L342-F345 PolarHBondContact O-N 3.23Å; F345-F347 PolarHBondContact O-N 2.93Å; F345-P406 HydrophobicContact CD1-CG 4.41Å; F345-P406 HydrophobicContact CE1-CG 3.24Å; F345-P406 HydrophobicContact CE2-CG 4.48Å; F345-P406 HydrophobicContact CZ-CG 3.3Å; F345-L412 HydrophobicContact CE2-CD2 4.18Å; F345-L412 HydrophobicContact CZ-CD2 4.07Å; F345-F413 HydrophobicContact CB-CE1 4.46Å; F345-F413 AromaticContact CD1-CE1 3.83Å; F345-F413 HydrophobicContact CD1-CE1 3.83Å; F345-F413 AromaticContact CD1-CZ 3.9Å; F345-F413 HydrophobicContact CD1-CZ 3.9Å; F345-F413 AromaticContact CD2-CE1 3.83Å; F345-F413 HydrophobicContact CD2-CE1 3.83Å; F345-F413 HydrophobicContact CE1-CE1 4.05Å; F345-F413 HydrophobicContact CE1-CZ 4.31Å; F345-F413 HydrophobicContact CE2-CE1 4.07Å; F345-F413 AromaticContact CG-CE1 3.76Å; F345-F413 HydrophobicContact CG-CE1 3.76Å; F345-F413 HydrophobicContact CG-CZ 4.1Å; F345-F413 HydrophobicContact CZ-CE1 4.18Å; F345-I416 HydrophobicContact CD2-CD1 4.16Å; F345-I416 HydrophobicContact CE2-CD1 4.01Å; F345-A453 HydrophobicContact CE1-CB 4.3Å; F345-A453 HydrophobicContact CE2-CB 4.05Å; F345-A453 HydrophobicContact CZ-CB 3.72Å; F345-I457 HydrophobicContact CD2-CD1 3.46Å; F345-I457 VanDerWaalsContact CD2-CD1 3.46Å; F345-I457 HydrophobicContact CE2-CD1 3.94Å; F345-I457 HydrophobicContact CG-CD1 4.49Å
346P86.9Confident85.5Confident11 Ų1158 Ų587%0.07130%0.302CS..  trans-66.9133.2179.625.9-32.2000111.8H305 W306 A453H305-P346 HydrophobicContact CB-CB 4.26Å; H305-P346 VanDerWaalsContact CD2-CB 3.47Å; H305-P346 WeakPolarHBondContact CD2-CB 3.14Å; W306-P346 PolarHBondContact NE1-O 3.46Å; P346-A453 HydrophobicContact CG-CB 3.54Å
347F88.7Confident85.9Confident82 Ų8254 Ų5436%0.3629%0.285SS..  trans-136.6155.3172.564.4-93.4000109.6L341 F345 K349 F403 L405L341-F347 HydrophobicContact CD2-CD1 4.49Å; F345-F347 PolarHBondContact O-N 2.93Å; F347-K349 HydrophobicContact CD2-CB 4.48Å; F347-K349 HydrophobicContact CE2-CB 4.27Å; F347-F403 AromaticContact CD2-CD1 3.73Å; F347-F403 HydrophobicContact CD2-CD1 3.73Å; F347-F403 HydrophobicContact CD2-CE1 4.16Å; F347-F403 AromaticContact CE2-CD1 3.79Å; F347-F403 HydrophobicContact CE2-CD1 3.79Å; F347-F403 AromaticContact CE2-CE1 3.71Å; F347-F403 HydrophobicContact CE2-CE1 3.71Å; F347-F403 HydrophobicContact CZ-CE1 4.48Å; F347-L405 HydrophobicContact CB-CD2 3.54Å; F347-L405 HydrophobicContact CB-CG 4.45Å
348D90Very high86.3Confident10 Ų1051.2 Ų51.25%0.05327%0.272CS..EExtended strand (participates in β ladder)trans-104.2135.5174.3-57.4-39.1000109.3H305 W306 Y350 F403 V404H305-D348 IonicContact CE1-OD1 2.83Å; H305-D348 IonicContact CG-OD1 3.32Å; H305-D348 VanDerWaalsContact N-CG 3.31Å; H305-D348 PolarHBondContact N-OD1 3.01Å; H305-D348 PolarHBondContact N-OD2 3.26Å; H305-D348 IonicContact ND1-OD1 3.41Å; H305-D348 PolarHBondContact ND1-OD1 2.95Å; W306-D348 PolarHBondContact N-OD2 2.89Å; D348-Y350 HydrophobicContact CB-CE2 3.67Å; D348-F403 CarbonylContact O-C 3.52Å; D348-F403 WeakPolarHBondContact O-CA 3.4Å; D348-V404 HydrophobicContact CB-CB 4.3Å; D348-V404 PolarHBondContact N-O 2.82Å; D348-V404 VanDerWaalsContact N-O 3.09Å; D348-V404 PolarHBondContact O-N 3Å
349K91.4Very high86.7Confident116 Ų11651.3 Ų51.350%0.50427%0.27SS..EExtended strand (participates in β ladder)trans-118.7119.3178.7-178.7-170.9173.4-1670109.2F347 S401 F403F347-K349 HydrophobicContact CD2-CB 4.48Å; F347-K349 HydrophobicContact CE2-CB 4.27Å; K349-S401 WeakPolarHBondContact CE-OG 3.41Å; K349-F403 HydrophobicContact CB-CD1 4.41Å; K349-F403 HydrophobicContact CB-CE1 4.28Å; K349-F403 HydrophobicContact CD-CE1 4.06Å; K349-F403 HydrophobicContact CD-CZ 3.91Å; K349-F403 HydrophobicContact CG-CD1 4.44Å; K349-F403 HydrophobicContact CG-CE1 4.02Å; K349-F403 HydrophobicContact CG-CE2 4.41Å; K349-F403 HydrophobicContact CG-CZ 4Å
350Y93.3Very high87.3Confident3 Ų353.5 Ų53.51%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-117130.4176.9-57.3-70.9000110.6P118 H119 I291 V293 D348 S401 L402 V404P118-Y350 HydrophobicContact CB-CE1 4.07Å; P118-Y350 HydrophobicContact CB-CE2 4.19Å; P118-Y350 HydrophobicContact CG-CE2 3.91Å; H119-Y350 AromaticContact CE1-CE1 3.5Å; H119-Y350 AromaticContact CE1-CZ 3.93Å; H119-Y350 PolarHBondContact CE1-OH 3.14Å; H119-Y350 AromaticContact ND1-CE1 3.86Å; I291-Y350 HydrophobicContact CD1-CD2 4.18Å; I291-Y350 HydrophobicContact CD1-CG 4.03Å; V293-Y350 HydrophobicContact CG1-CE1 4.44Å; V293-Y350 HydrophobicContact CG2-CD1 4.14Å; V293-Y350 HydrophobicContact CG2-CE1 4.16Å; D348-Y350 HydrophobicContact CB-CE2 3.67Å; Y350-S401 CarbonylContact O-C 3.5Å; Y350-S401 WeakPolarHBondContact O-CA 3.34Å; Y350-S401 WeakPolarHBondContact O-CB 3.4Å; Y350-L402 PolarHBondContact N-O 3.46Å; Y350-L402 PolarHBondContact O-N 3.48Å; Y350-V404 HydrophobicContact CD2-CG2 3.76Å; Y350-V404 HydrophobicContact CE2-CB 4.36Å; Y350-V404 HydrophobicContact CE2-CG2 3.75Å
351E93.3Very high88.1Confident83 Ų8350.2 Ų50.239%0.38826%0.257SS..EExtended strand (participates in β ladder)trans-80.3135.2176.6-173.7176.2147.200110.6I291 Y292 T399I291-E351 CarbonylContact C-O 3.47Å; I291-E351 WeakPolarHBondContact CA-O 3.18Å; Y292-E351 HydrophobicContact CD2-CB 4.23Å; Y292-E351 HydrophobicContact CD2-CG 4.26Å; Y292-E351 PolarHBondContact N-O 3.02Å; E351-T399 HydrophobicContact CG-CG2 4.32Å; E351-T399 WeakPolarHBondContact OE1-CG2 3.35Å
352L93Very high88.7Confident4 Ų448.6 Ų48.62%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-86138.9176.4-81.969.2000110.8F236 I291 T358 L391 V400 L402F236-L352 HydrophobicContact CD2-CD2 4.49Å; F236-L352 HydrophobicContact CE2-CD2 3.84Å; F236-L352 HydrophobicContact CE2-CG 4.29Å; F236-L352 HydrophobicContact CZ-CD2 3.86Å; F236-L352 HydrophobicContact CZ-CG 4.22Å; I291-L352 HydrophobicContact CG2-CD1 4.08Å; I291-L352 HydrophobicContact CG2-CG 4.12Å; L352-T358 HydrophobicContact CB-CG2 3.72Å; L352-T358 HydrophobicContact CD2-CG2 4.06Å; L352-L391 HydrophobicContact CD1-CD2 4.04Å; L352-L391 HydrophobicContact CD2-CD2 3.88Å; L352-V400 HydrophobicContact CD2-CG1 4.44Å; L352-V400 PolarHBondContact N-O 2.9Å; L352-L402 HydrophobicContact CD1-CB 3.77Å; L352-L402 VanDerWaalsContact CD1-N 3.3Å
353E90.9Very high89.3Confident36 Ų3652.9 Ų52.917%0.16827%0.272CS..PPolyproline II helixtrans-56.6138.7166.3-176.1-170.9175.200110.6K289 M290 Y292 S355K289-E353 HydrophobicContact CD-CG 4.34Å; K289-E353 WeakPolarHBondContact CD-OE2 3.34Å; K289-E353 IonicContact NZ-OE1 3.56Å; M290-E353 HydrophobicContact CB-CB 4.07Å; M290-E353 WeakPolarHBondContact CB-OE2 3.39Å; M290-E353 PolarHBondContact N-OE2 3.21Å; M290-E353 VanDerWaalsContact N-OE2 3.12Å; M290-E353 WeakPolarHBondContact O-CB 3.33Å; M290-E353 PolarHBondContact O-N 3.42Å; Y292-E353 HydrophobicContact CE2-CB 4.32Å; E353-S355 PolarHBondContact O-N 3.27Å
354P90.9Very high90Very high97 Ų9749.2 Ų49.263%0.6325%0.247SC*.SBendtrans-51128174.8-28.135.3000112.6
355S89.3Confident90.5Very high13 Ų1352.3 Ų52.39%0.09126%0.256CS..  trans-154.5168.2-174.571.10000111.9K289 E353 L357 T358 K359K289-S355 VanDerWaalsContact CG-CB 3.46Å; E353-S355 PolarHBondContact O-N 3.27Å; S355-L357 PolarHBondContact O-N 3.39Å; S355-L357 PolarHBondContact OG-N 3.34Å; S355-T358 PolarHBondContact N-OG1 2.99Å; S355-T358 PolarHBondContact O-N 3.49Å; S355-T358 VanDerWaalsContact O-N 3.15Å; S355-T358 PolarHBondContact O-OG1 3.5Å; S355-T358 VanDerWaalsContact O-OG1 3.04Å; S355-T358 PolarHBondContact OG-N 3.1Å; S355-K359 WeakPolarHBondContact O-CB 3.44Å; S355-K359 PolarHBondContact O-N 3Å
356P91.1Very high90.5Very high56 Ų5657 Ų5736%0.36428%0.277SS..Hα-helixtrans-55.1-34.1173.6-26.435.8000112.9W284 T287 Y360W284-P356 HydrophobicContact CB-CB 3.97Å; T287-P356 HydrophobicContact CG2-CB 4.44Å; P356-Y360 WeakPolarHBondContact O-CB 3.36Å; P356-Y360 PolarHBondContact O-N 2.93Å
357L91.5Very high90.4Very high0 Ų057.6 Ų57.60%028%0.281CS..Hα-helixtrans-67.4-48.5175.3175.462.3000111.9F236 W284 T287 F332 S355 K359 Y360 I361 W371 L391F236-L357 HydrophobicContact CB-CD2 3.65Å; F236-L357 HydrophobicContact CD1-CD2 4.5Å; F236-L357 HydrophobicContact CD2-CD2 4.27Å; F236-L357 HydrophobicContact CG-CD2 3.9Å; W284-L357 HydrophobicContact CE3-CD1 4.04Å; T287-L357 HydrophobicContact CG2-CB 3.94Å; F332-L357 HydrophobicContact CE1-CD1 4.11Å; F332-L357 HydrophobicContact CE1-CD2 4.01Å; F332-L357 HydrophobicContact CE2-CD1 3.99Å; F332-L357 HydrophobicContact CZ-CD1 3.57Å; F332-L357 HydrophobicContact CZ-CD2 4.32Å; S355-L357 PolarHBondContact O-N 3.39Å; S355-L357 PolarHBondContact OG-N 3.34Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 3Å; L357-Y360 PolarHBondContact O-N 2.91Å; L357-I361 HydrophobicContact CD1-CD1 3.93Å; L357-I361 HydrophobicContact CD1-CG1 4.35Å; L357-I361 HydrophobicContact CG-CD1 4.01Å; L357-I361 WeakPolarHBondContact O-CG1 3.41Å; L357-I361 PolarHBondContact O-N 3.46Å; L357-W371 HydrophobicContact CD1-CZ3 4.15Å; L357-L391 HydrophobicContact CD2-CD1 4.29Å
358T91.6Very high90.3Very high9 Ų960.3 Ų60.36%0.05529%0.292CS..Hα-helixtrans-64.9-41.2179.563.60000110.8L352 S355 Y360 I361 L362 V400L352-T358 HydrophobicContact CB-CG2 3.72Å; L352-T358 HydrophobicContact CD2-CG2 4.06Å; S355-T358 PolarHBondContact N-OG1 2.99Å; S355-T358 PolarHBondContact O-N 3.49Å; S355-T358 VanDerWaalsContact O-N 3.15Å; S355-T358 PolarHBondContact O-OG1 3.5Å; S355-T358 VanDerWaalsContact O-OG1 3.04Å; S355-T358 PolarHBondContact OG-N 3.1Å; T358-Y360 PolarHBondContact O-N 3.45Å; T358-I361 PolarHBondContact O-N 2.62Å; T358-L362 WeakPolarHBondContact O-CB 3.44Å; T358-L362 WeakPolarHBondContact O-CG 3.37Å; T358-L362 PolarHBondContact O-N 3.26Å; T358-V400 HydrophobicContact CG2-CB 3.85Å; T358-V400 HydrophobicContact CG2-CG2 4.09Å
359K92.2Very high90.2Very high139 Ų13962.8 Ų62.860%0.60430%0.304SS*.Hα-helixtrans-56-49174.6-173.4177.8178.41800111.5S355 L357 I361 L362 D363S355-K359 WeakPolarHBondContact O-CB 3.44Å; S355-K359 PolarHBondContact O-N 3Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 3Å; K359-I361 PolarHBondContact O-N 3.02Å; K359-L362 PolarHBondContact O-N 3.03Å; K359-D363 WeakPolarHBondContact O-CB 3.47Å; K359-D363 PolarHBondContact O-N 3.38Å
360Y91.1Very high90.2Very high79 Ų7957.4 Ų57.431%0.3128%0.28SS..Hα-helixtrans-60.2-43.7178-178.7-104.2000112.7W284 P356 L357 T358 L362 D363 L364 W371W284-Y360 AromaticContact CD2-CD1 3.92Å; W284-Y360 HydrophobicContact CD2-CD1 3.92Å; W284-Y360 HydrophobicContact CD2-CD2 4.46Å; W284-Y360 HydrophobicContact CD2-CE1 4.37Å; W284-Y360 AromaticContact CD2-CG 3.98Å; W284-Y360 HydrophobicContact CD2-CG 3.98Å; W284-Y360 AromaticContact CE3-CD1 3.73Å; W284-Y360 HydrophobicContact CE3-CD1 3.73Å; W284-Y360 HydrophobicContact CE3-CE1 4.16Å; W284-Y360 HydrophobicContact CE3-CG 4.23Å; W284-Y360 HydrophobicContact CG-CG 4.33Å; W284-Y360 AromaticContact CH2-CD1 3.87Å; W284-Y360 HydrophobicContact CH2-CD1 3.87Å; W284-Y360 AromaticContact CH2-CE1 3.4Å; W284-Y360 HydrophobicContact CH2-CE1 3.4Å; W284-Y360 AromaticContact CH2-CZ 3.86Å; W284-Y360 HydrophobicContact CZ2-CD1 4.07Å; W284-Y360 HydrophobicContact CZ2-CD2 4.48Å; W284-Y360 AromaticContact CZ2-CE1 3.65Å; W284-Y360 HydrophobicContact CZ2-CE1 3.65Å; W284-Y360 HydrophobicContact CZ2-CE2 4.1Å; W284-Y360 HydrophobicContact CZ2-CG 4.47Å; W284-Y360 AromaticContact CZ2-CZ 3.67Å; W284-Y360 AromaticContact CZ3-CD1 3.71Å; W284-Y360 HydrophobicContact CZ3-CD1 3.71Å; W284-Y360 AromaticContact CZ3-CE1 3.69Å; W284-Y360 HydrophobicContact CZ3-CE1 3.69Å; P356-Y360 WeakPolarHBondContact O-CB 3.36Å; P356-Y360 PolarHBondContact O-N 2.93Å; L357-Y360 PolarHBondContact O-N 2.91Å; T358-Y360 PolarHBondContact O-N 3.45Å; Y360-L362 VanDerWaalsContact C-N 3.35Å; Y360-L362 PolarHBondContact O-N 3.2Å; Y360-D363 PolarHBondContact O-N 3.2Å; Y360-L364 HydrophobicContact CE1-CD1 4.11Å; Y360-L364 WeakPolarHBondContact O-CG 3.46Å; Y360-L364 PolarHBondContact O-N 3.06Å; Y360-W371 AromaticContact CD1-CH2 3.71Å; Y360-W371 HydrophobicContact CD1-CH2 3.71Å; Y360-W371 HydrophobicContact CD1-CZ3 4.42Å; Y360-W371 AromaticContact CE1-CH2 3.65Å; Y360-W371 HydrophobicContact CE1-CH2 3.65Å; Y360-W371 HydrophobicContact CE1-CZ2 4.32Å
361I90.6Very high90.2Very high15 Ų1557.8 Ų57.88%0.07728%0.282CS..Hα-helixtrans-62.7-41.7177-69.3166.9000111.5L357 T358 K359 L364 W371 L391 A393 V400L357-I361 HydrophobicContact CD1-CD1 3.93Å; L357-I361 HydrophobicContact CD1-CG1 4.35Å; L357-I361 HydrophobicContact CG-CD1 4.01Å; L357-I361 WeakPolarHBondContact O-CG1 3.41Å; L357-I361 PolarHBondContact O-N 3.46Å; T358-I361 PolarHBondContact O-N 2.62Å; K359-I361 PolarHBondContact O-N 3.02Å; I361-L364 PolarHBondContact O-N 3.45Å; I361-W371 HydrophobicContact CD1-CE3 3.9Å; I361-W371 HydrophobicContact CD1-CH2 4.43Å; I361-W371 HydrophobicContact CD1-CZ3 3.64Å; I361-W371 HydrophobicContact CG1-CE3 3.89Å; I361-W371 HydrophobicContact CG1-CH2 3.55Å; I361-W371 HydrophobicContact CG1-CZ2 4.45Å; I361-W371 HydrophobicContact CG1-CZ3 3.24Å; I361-L391 HydrophobicContact CD1-CB 4.47Å; I361-L391 HydrophobicContact CD1-CD1 4.38Å; I361-A393 HydrophobicContact CG2-CB 4.09Å; I361-V400 HydrophobicContact CB-CG2 4.01Å; I361-V400 HydrophobicContact CD1-CG1 3.93Å; I361-V400 HydrophobicContact CG2-CG1 4.29Å; I361-V400 HydrophobicContact CG2-CG2 3.8Å
362L91.3Very high90.3Very high31 Ų3154.1 Ų54.116%0.16227%0.265CS..Hα-helixtrans-67.7-38.6178.6-66.9176.5000111.6T358 K359 Y360 L364 K365 A393 L397 V400T358-L362 WeakPolarHBondContact O-CB 3.44Å; T358-L362 WeakPolarHBondContact O-CG 3.37Å; T358-L362 PolarHBondContact O-N 3.26Å; K359-L362 PolarHBondContact O-N 3.03Å; Y360-L362 VanDerWaalsContact C-N 3.35Å; Y360-L362 PolarHBondContact O-N 3.2Å; L362-L364 PolarHBondContact O-N 3.35Å; L362-K365 PolarHBondContact O-N 2.99Å; L362-A393 HydrophobicContact CD2-CB 4.03Å; L362-L397 HydrophobicContact CD2-CB 4.33Å; L362-L397 WeakPolarHBondContact CD2-O 3.33Å; L362-V400 HydrophobicContact CD2-CG2 3.91Å; L362-V400 HydrophobicContact CG-CG2 3.92Å
363D90.8Very high90.3Very high103 Ų10354 Ų5455%0.55126%0.264SS*.Hα-helixtrans-64.1-25.3178.2-71.6-20.5000112.7K359 Y360 K365K359-D363 WeakPolarHBondContact O-CB 3.47Å; K359-D363 PolarHBondContact O-N 3.38Å; Y360-D363 PolarHBondContact O-N 3.2Å; D363-K365 PolarHBondContact O-N 3.06Å
364L88.4Confident90.5Very high47 Ų4753.6 Ų53.625%0.24626%0.261CS..THydrogen-bonded Turntrans-67.4-18.9174.2-68.5170.6000113.5F336 Y360 I361 L362 K366 W371F336-L364 HydrophobicContact CE1-CD1 4.34Å; F336-L364 HydrophobicContact CZ-CD1 4.3Å; Y360-L364 HydrophobicContact CE1-CD1 4.11Å; Y360-L364 WeakPolarHBondContact O-CG 3.46Å; Y360-L364 PolarHBondContact O-N 3.06Å; I361-L364 PolarHBondContact O-N 3.45Å; L362-L364 PolarHBondContact O-N 3.35Å; L364-K366 WeakPolarHBondContact O-CG 3Å; L364-K366 PolarHBondContact O-N 2.95Å; L364-K366 VanDerWaalsContact O-N 3.07Å; L364-W371 HydrophobicContact CD1-CH2 3.78Å; L364-W371 HydrophobicContact CD1-CZ2 3.35Å
365K88.1Confident90.6Very high158 Ų15849.1 Ų49.169%0.68723%0.232SC*.THydrogen-bonded Turntrans50.531.9178.6-60.8-179.5-178.5179.60114.8L362 D363 P367 L397L362-K365 PolarHBondContact O-N 2.99Å; D363-K365 PolarHBondContact O-N 3.06Å; K365-P367 VanDerWaalsContact C-CD 3.49Å; K365-P367 VanDerWaalsContact O-CD 3.28Å; K365-P367 WeakPolarHBondContact O-CD 3.44Å; K365-L397 HydrophobicContact CB-CD1 4.43Å; K365-L397 HydrophobicContact CG-CD1 4.35Å
366K86.5Confident90.7Very high104 Ų10450.3 Ų50.345%0.45224%0.24SC..  trans-117.171.4-178.2-75.8176.9-174.7-175.50111.7F336 L364 K368 H369F336-K366 HydrophobicContact CE1-CD 4.04Å; F336-K366 HydrophobicContact CZ-CD 4.26Å; L364-K366 WeakPolarHBondContact O-CG 3Å; L364-K366 PolarHBondContact O-N 2.95Å; L364-K366 VanDerWaalsContact O-N 3.07Å; K366-K368 PolarHBondContact O-N 3.13Å; K366-K368 VanDerWaalsContact O-N 3.15Å; K366-H369 PolarHBondContact O-N 3.33Å
367P84.7Confident90.6Very high24 Ų2448.9 Ų48.916%0.15624%0.236CC..THydrogen-bonded Turntrans-67.8-16.1-176.229.3-35.9000113.9K365 H369 K392 W395 L397K365-P367 VanDerWaalsContact C-CD 3.49Å; K365-P367 VanDerWaalsContact O-CD 3.28Å; K365-P367 WeakPolarHBondContact O-CD 3.44Å; P367-H369 VanDerWaalsContact C-N 3.31Å; P367-K392 WeakPolarHBondContact O-CE 3.33Å; P367-W395 HydrophobicContact CG-CE3 4.47Å; P367-L397 HydrophobicContact CB-CD2 4.2Å; P367-L397 HydrophobicContact CG-CD2 4.46Å
368K86.4Confident90.6Very high139 Ų13948.9 Ų48.960%0.60424%0.236SC*.THydrogen-bonded Turntrans-72.1-22.5176.6-67-171.6177.5-174.70113.5P339 K366P339-K368 WeakPolarHBondContact CD-O 3.49Å; K366-K368 PolarHBondContact O-N 3.13Å; K366-K368 VanDerWaalsContact O-N 3.15Å
369H88.3Confident90.4Very high63 Ų6349.3 Ų49.329%0.29224%0.239SC..  trans-102.9154.5-175.9-58.787.7000111.5F336 Q337 K366 P367F336-H369 HydrophobicContact CB-CB 4.32Å; F336-H369 HydrophobicContact CD1-CB 3.64Å; F336-H369 AromaticContact CD1-CG 3.88Å; F336-H369 HydrophobicContact CG-CB 4.44Å; Q337-H369 CarbonylContact O-C 3.56Å; Q337-H369 WeakPolarHBondContact O-CA 3.41Å; K366-H369 PolarHBondContact O-N 3.33Å; P367-H369 VanDerWaalsContact C-N 3.31Å
370C91.5Very high89.9Confident2 Ų248.8 Ų48.81%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-131163.2175.571.40000111.2Q337 P339 F390 L391 K392Q337-C370 PolarHBondContact N-O 3.49Å; Q337-C370 PolarHBondContact O-N 2.93Å; Q337-C370 PolarHBondContact O-SG 3.46Å; P339-C370 HydrophobicContact CB-CB 4.49Å; C370-F390 HydrophobicContact CB-CB 4.02Å; C370-F390 HydrophobicContact CB-CD2 3.54Å; C370-F390 HydrophobicContact CB-CE2 4.19Å; C370-F390 HydrophobicContact CB-CG 3.9Å; C370-L391 VanDerWaalsContact CA-O 3.28Å; C370-L391 WeakPolarHBondContact CA-O 3.34Å; C370-L391 WeakPolarHBondContact CB-O 3.17Å; C370-K392 HydrophobicContact CB-CB 4.18Å
371W93Very high89.4Confident12 Ų1254.2 Ų54.25%0.04525%0.254CS..EExtended strand (participates in β ladder)trans-118.1119.9175-64.8-18.1000110.2F332 S333 F336 L357 Y360 I361 L364 F390 L391F332-W371 AromaticContact CD2-CE3 3.84Å; F332-W371 HydrophobicContact CD2-CE3 3.84Å; F332-W371 HydrophobicContact CD2-CZ3 4.3Å; F332-W371 HydrophobicContact CE2-CE3 4.06Å; F332-W371 HydrophobicContact CE2-CZ3 4.04Å; S333-W371 WeakPolarHBondContact O-CB 3.39Å; F336-W371 AromaticContact CD1-NE1 3.93Å; F336-W371 AromaticContact CE1-NE1 3.87Å; L357-W371 HydrophobicContact CD1-CZ3 4.15Å; Y360-W371 AromaticContact CD1-CH2 3.71Å; Y360-W371 HydrophobicContact CD1-CH2 3.71Å; Y360-W371 HydrophobicContact CD1-CZ3 4.42Å; Y360-W371 AromaticContact CE1-CH2 3.65Å; Y360-W371 HydrophobicContact CE1-CH2 3.65Å; Y360-W371 HydrophobicContact CE1-CZ2 4.32Å; I361-W371 HydrophobicContact CD1-CE3 3.9Å; I361-W371 HydrophobicContact CD1-CH2 4.43Å; I361-W371 HydrophobicContact CD1-CZ3 3.64Å; I361-W371 HydrophobicContact CG1-CE3 3.89Å; I361-W371 HydrophobicContact CG1-CH2 3.55Å; I361-W371 HydrophobicContact CG1-CZ2 4.45Å; I361-W371 HydrophobicContact CG1-CZ3 3.24Å; L364-W371 HydrophobicContact CD1-CH2 3.78Å; L364-W371 HydrophobicContact CD1-CZ2 3.35Å; W371-F390 CarbonylContact O-C 3.55Å; W371-F390 WeakPolarHBondContact O-CA 3.41Å; W371-F390 VanDerWaalsContact O-CB 3.31Å; W371-F390 WeakPolarHBondContact O-CB 3.23Å; W371-L391 PolarHBondContact N-O 3.45Å; W371-L391 PolarHBondContact O-N 3.43Å
372H94.2Very high89.2Confident6 Ų655.8 Ų55.83%0.02827%0.267CS..EExtended strand (participates in β ladder)trans-64.9141.8179.6-70.8-174.9000111.8F332 S333 Q337 F374 P387 F409F332-H372 WeakPolarHBondContact CA-O 3.37Å; S333-H372 PolarHBondContact N-O 2.94Å; S333-H372 VanDerWaalsContact N-O 3.1Å; Q337-H372 VanDerWaalsContact CD-CE1 3.45Å; Q337-H372 PolarHBondContact NE2-ND1 3.27Å; Q337-H372 PolarHBondContact OE1-CE1 3.47Å; Q337-H372 PolarHBondContact OE1-ND1 3.33Å; H372-F374 HydrophobicContact CB-CE2 3.77Å; H372-F374 HydrophobicContact CB-CZ 3.77Å; H372-F374 WeakPolarHBondContact O-CE2 3.33Å; H372-P387 HydrophobicContact CB-CB 4.09Å; H372-F409 AromaticContact CE1-CZ 3.93Å; H372-F409 AromaticContact NE2-CZ 3.67Å
373T94.1Very high88.7Confident0 Ų061.7 Ų61.70%030%0.298CS..EExtended strand (participates in β ladder)trans-111.2136177.957.30000111.2V330 K331 F332 P387 F388 G389 L391 L402V330-T373 HydrophobicContact CG1-CG2 3.95Å; K331-T373 CarbonylContact O-C 3.51Å; K331-T373 WeakPolarHBondContact O-CA 3.4Å; F332-T373 HydrophobicContact CB-CG2 4.28Å; T373-P387 WeakPolarHBondContact O-CA 3.17Å; T373-F388 WeakPolarHBondContact O-CD1 3.4Å; T373-F388 PolarHBondContact O-N 2.96Å; T373-F388 VanDerWaalsContact O-N 3.1Å; T373-G389 PolarHBondContact N-O 3.26Å; T373-G389 WeakPolarHBondContact OG1-CA 3.49Å; T373-G389 PolarHBondContact OG1-O 2.77Å; T373-G389 VanDerWaalsContact OG1-O 3.04Å; T373-L391 HydrophobicContact CG2-CD1 4.33Å; T373-L391 HydrophobicContact CG2-CG 3.85Å; T373-L402 HydrophobicContact CG2-CD1 3.91Å
374F94.5Very high88.5Confident28 Ų2858.1 Ų58.112%0.12328%0.279CS..EExtended strand (participates in β ladder)trans-126.7153.3-175.3-52.7-93.8000109.4K331 H372 L384 P387K331-F374 PolarHBondContact N-O 2.85Å; K331-F374 PolarHBondContact O-N 3.35Å; H372-F374 HydrophobicContact CB-CE2 3.77Å; H372-F374 HydrophobicContact CB-CZ 3.77Å; H372-F374 WeakPolarHBondContact O-CE2 3.33Å; F374-L384 HydrophobicContact CB-CD1 4.12Å; F374-L384 HydrophobicContact CB-CD2 4.34Å; F374-L384 HydrophobicContact CB-CG 3.84Å; F374-L384 HydrophobicContact CD1-CD2 4.12Å; F374-L384 HydrophobicContact CD1-CG 4.29Å; F374-L384 HydrophobicContact CD2-CD2 4.29Å; F374-L384 HydrophobicContact CG-CD2 3.99Å; F374-L384 HydrophobicContact CG-CG 4.04Å; F374-P387 HydrophobicContact CD1-CB 4.24Å; F374-P387 HydrophobicContact CE1-CB 3.79Å; F374-P387 HydrophobicContact CE1-CG 4.19Å; F374-P387 HydrophobicContact CZ-CB 4.2Å
375L93.1Very high88.5Confident4 Ų456.2 Ų56.22%0.02127%0.271CS..  trans-122.6118.4173-165.382.3000109P309 E310 P328 V329 V330 S378 L384 F388P309-L375 VanDerWaalsContact C-CD2 3.44Å; P309-L375 HydrophobicContact CB-CD2 4.14Å; P309-L375 HydrophobicContact CG-CB 3.85Å; P309-L375 HydrophobicContact CG-CD2 3.81Å; P309-L375 HydrophobicContact CG-CG 4.49Å; P309-L375 WeakPolarHBondContact O-CD2 3.33Å; E310-L375 VanDerWaalsContact C-CD2 3.49Å; E310-L375 WeakPolarHBondContact O-CD2 3.49Å; P328-L375 HydrophobicContact CB-CD1 4.22Å; V329-L375 WeakPolarHBondContact O-CD1 3.36Å; V330-L375 HydrophobicContact CG2-CD1 4.26Å; L375-S378 VanDerWaalsContact O-CB 3.31Å; L375-S378 WeakPolarHBondContact O-CB 3.27Å; L375-S378 PolarHBondContact O-N 2.81Å; L375-S378 PolarHBondContact O-OG 2.95Å; L375-L384 CarbonylContact C-O 3.5Å; L375-L384 VanDerWaalsContact C-O 3.27Å; L375-F388 HydrophobicContact CB-CD1 4.35Å; L375-F388 HydrophobicContact CB-CE1 4.06Å
376P92.1Very high88.7Confident37 Ų3750.2 Ų50.224%0.2425%0.248CC..THydrogen-bonded Turntrans-62.2141.5-177.627.2-33.8000111.3N311 V329 K331 S378 D383N311-P376 WeakPolarHBondContact CA-O 3.33Å; V329-P376 VanDerWaalsContact O-CD 3.28Å; V329-P376 WeakPolarHBondContact O-CD 3.14Å; K331-P376 HydrophobicContact CD-CG 4.47Å; P376-S378 VanDerWaalsContact C-N 3.31Å; P376-S378 PolarHBondContact O-N 3.29Å; P376-D383 WeakPolarHBondContact CA-O 3.37Å
377G89.3Confident89Confident27 Ų2745.9 Ų45.928%0.27823%0.231SC..THydrogen-bonded Turntrans80.40.6-179.500000115.8F312 W313 S379 D383F312-G377 CarbonylContact C-O 3.56Å; F312-G377 VanDerWaalsContact C-O 3.24Å; F312-G377 WeakPolarHBondContact CA-O 3.46Å; F312-G377 PolarHBondContact N-O 3.04Å; W313-G377 PolarHBondContact N-O 3.06Å; G377-S379 VanDerWaalsContact C-N 3.33Å; G377-S379 PolarHBondContact O-N 3.47Å; G377-D383 PolarHBondContact N-O 3.18Å
378S90Very high89.5Confident0 Ų044.8 Ų44.80%022%0.224CC..  trans-79.6-5.6-177.259.10000115.3E310 L375 P376 Y407E310-S378 WeakPolarHBondContact O-CA 3.29Å; E310-S378 WeakPolarHBondContact O-CB 3.28Å; L375-S378 VanDerWaalsContact O-CB 3.31Å; L375-S378 WeakPolarHBondContact O-CB 3.27Å; L375-S378 PolarHBondContact O-N 2.81Å; L375-S378 PolarHBondContact O-OG 2.95Å; P376-S378 VanDerWaalsContact C-N 3.31Å; P376-S378 PolarHBondContact O-N 3.29Å; S378-Y407 PolarHBondContact O-OH 3.29Å; S378-Y407 WeakPolarHBondContact OG-CE2 3.39Å; S378-Y407 PolarHBondContact OG-OH 3.19Å
379S87.6Confident89.8Confident17 Ų1738.1 Ų38.112%0.11920%0.195CC..SBendtrans-124.7158.8178.787.20000112.7G377 Y381 S382 Y407G377-S379 VanDerWaalsContact C-N 3.33Å; G377-S379 PolarHBondContact O-N 3.47Å; S379-Y381 PolarHBondContact OG-N 3.24Å; S379-S382 WeakPolarHBondContact OG-CA 3.41Å; S379-S382 WeakPolarHBondContact OG-CB 3.32Å; S379-S382 PolarHBondContact OG-N 2.96Å; S379-S382 PolarHBondContact OG-O 3.11Å; S379-Y407 VanDerWaalsContact CB-OH 3.29Å; S379-Y407 WeakPolarHBondContact CB-OH 3.5Å
380R82.5Confident90.2Very high128 Ų12835.1 Ų35.148%0.48318%0.181SC..SBendtrans-74.8-27173-64-173.3174.5170.50.4114.3W313W313-R380 HydrophobicContact CB-CG 4.45Å; W313-R380 HydrophobicContact CD2-CG 3.46Å; W313-R380 VanDerWaalsContact CD2-CG 3.46Å; W313-R380 HydrophobicContact CE3-CG 3.88Å; W313-R380 HydrophobicContact CG-CG 3.68Å; W313-R380 HydrophobicContact CH2-CG 4.34Å; W313-R380 HydrophobicContact CZ2-CG 4.07Å; W313-R380 HydrophobicContact CZ3-CG 4.3Å; W313-R380 VanDerWaalsContact NE1-NH2 3.13Å
381Y81.6Confident90.3Very high193 Ų19335.2 Ų35.276%0.75718%0.181SC*.SBendtrans-112-14.5-165.3-53.6-66.5000114S379S379-Y381 PolarHBondContact OG-N 3.24Å
382S84.5Confident90.3Very high49 Ų4935.9 Ų35.934%0.34318%0.184SC..  trans-137128.7-174.7171.40000110.6S379 L384 G385S379-S382 WeakPolarHBondContact OG-CA 3.41Å; S379-S382 WeakPolarHBondContact OG-CB 3.32Å; S379-S382 PolarHBondContact OG-N 2.96Å; S379-S382 PolarHBondContact OG-O 3.11Å; S382-L384 VanDerWaalsContact C-N 3.25Å; S382-L384 PolarHBondContact O-N 2.75Å; S382-L384 PolarHBondContact OG-N 2.61Å; S382-G385 PolarHBondContact O-N 3.38Å; S382-G385 VanDerWaalsContact O-N 3.16Å; S382-G385 PolarHBondContact OG-N 2.99Å
383D82.6Confident90.2Very high154 Ų15435.9 Ų35.982%0.82419%0.186SC*.SBendtrans-62.8-32.8178-62.6-34.3000112.4P376 G377P376-D383 WeakPolarHBondContact CA-O 3.37Å; G377-D383 PolarHBondContact N-O 3.18Å
384L86.3Confident90.1Very high29 Ų2936.7 Ų36.715%0.15219%0.191CC..SBendtrans-78.6-25.8178.4-173.266.8000112.4F239 K331 F374 L375 S382F239-L384 HydrophobicContact CD1-CD1 4.13Å; F239-L384 HydrophobicContact CD1-CD2 3.62Å; F239-L384 HydrophobicContact CD2-CD1 3.91Å; F239-L384 HydrophobicContact CE1-CD1 4.3Å; F239-L384 HydrophobicContact CE1-CD2 3.4Å; F239-L384 VanDerWaalsContact CE1-CD2 3.4Å; F239-L384 HydrophobicContact CE1-CG 4.43Å; F239-L384 HydrophobicContact CE2-CD1 4.07Å; F239-L384 HydrophobicContact CG-CD1 3.93Å; F239-L384 HydrophobicContact CG-CD2 4.29Å; F239-L384 HydrophobicContact CZ-CD1 4.26Å; F239-L384 HydrophobicContact CZ-CD2 3.88Å; K331-L384 HydrophobicContact CB-CD1 4.1Å; K331-L384 HydrophobicContact CD-CD1 3.72Å; F374-L384 HydrophobicContact CB-CD1 4.12Å; F374-L384 HydrophobicContact CB-CD2 4.34Å; F374-L384 HydrophobicContact CB-CG 3.84Å; F374-L384 HydrophobicContact CD1-CD2 4.12Å; F374-L384 HydrophobicContact CD1-CG 4.29Å; F374-L384 HydrophobicContact CD2-CD2 4.29Å; F374-L384 HydrophobicContact CG-CD2 3.99Å; F374-L384 HydrophobicContact CG-CG 4.04Å; L375-L384 CarbonylContact C-O 3.5Å; L375-L384 VanDerWaalsContact C-O 3.27Å; S382-L384 VanDerWaalsContact C-N 3.25Å; S382-L384 PolarHBondContact O-N 2.75Å; S382-L384 PolarHBondContact OG-N 2.61Å
385G88.1Confident89.9Confident7 Ų744.2 Ų44.27%0.07222%0.219CC..  trans81.5-171-168.500000113.8S382S382-G385 PolarHBondContact O-N 3.38Å; S382-G385 VanDerWaalsContact O-N 3.16Å; S382-G385 PolarHBondContact OG-N 2.99Å
386C91.5Very high89.7Confident32 Ų3248 Ų4822%0.21625%0.246CC..  trans-104.6161.1177-61.40000110.4F388 Y407 D408C386-F388 PolarHBondContact O-N 3.08Å; C386-Y407 HydrophobicContact CB-CD1 4.25Å; C386-Y407 HydrophobicContact CB-CE1 3.61Å; C386-Y407 HydrophobicContact CB-CE2 4.31Å; C386-Y407 PolarHBondContact N-OH 2.98Å; C386-D408 HydrophobicContact CB-CB 3.75Å
387P93.8Very high89.6Confident13 Ų1349 Ų498%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-70129.2-179.529.9-33.6000110.5H372 T373 F374 D408 F409 P410H372-P387 HydrophobicContact CB-CB 4.09Å; T373-P387 WeakPolarHBondContact O-CA 3.17Å; F374-P387 HydrophobicContact CD1-CB 4.24Å; F374-P387 HydrophobicContact CE1-CB 3.79Å; F374-P387 HydrophobicContact CE1-CG 4.19Å; F374-P387 HydrophobicContact CZ-CB 4.2Å; P387-D408 WeakPolarHBondContact O-CA 3.27Å; P387-D408 PolarHBondContact O-N 3.05Å; P387-F409 HydrophobicContact CB-CE1 3.96Å; P387-F409 HydrophobicContact CG-CE1 4.39Å; P387-P410 HydrophobicContact CG-CG 3.91Å
388F94.2Very high89.7Confident0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-109.3-0.6176.573.3-88.8000112.4I308 P309 V330 T373 L375 C386 V404 L405 Y407I308-F388 HydrophobicContact CG1-CE2 4.35Å; I308-F388 HydrophobicContact CG2-CE2 4.3Å; I308-F388 HydrophobicContact CG2-CZ 4.37Å; P309-F388 HydrophobicContact CG-CB 4.15Å; P309-F388 HydrophobicContact CG-CD1 3.93Å; P309-F388 HydrophobicContact CG-CE1 4.5Å; P309-F388 HydrophobicContact CG-CG 3.94Å; V330-F388 HydrophobicContact CG1-CE1 4.11Å; V330-F388 HydrophobicContact CG1-CZ 3.86Å; V330-F388 HydrophobicContact CG2-CZ 4.06Å; T373-F388 WeakPolarHBondContact O-CD1 3.4Å; T373-F388 PolarHBondContact O-N 2.96Å; T373-F388 VanDerWaalsContact O-N 3.1Å; L375-F388 HydrophobicContact CB-CD1 4.35Å; L375-F388 HydrophobicContact CB-CE1 4.06Å; C386-F388 PolarHBondContact O-N 3.08Å; F388-V404 HydrophobicContact CD2-CG1 4.26Å; F388-L405 CarbonylContact O-C 3.23Å; F388-L405 WeakPolarHBondContact O-CA 3.4Å; F388-L405 PolarHBondContact O-N 3.36Å; F388-Y407 HydrophobicContact CB-CD2 4.18Å
389G94.2Very high89.8Confident0 Ų053.8 Ų53.80%028%0.275CS..EExtended strand (participates in β ladder)trans177.1-174.4-17500000112T373 F403T373-G389 PolarHBondContact N-O 3.26Å; T373-G389 WeakPolarHBondContact OG1-CA 3.49Å; T373-G389 PolarHBondContact OG1-O 2.77Å; T373-G389 VanDerWaalsContact OG1-O 3.04Å; G389-F403 CarbonylContact C-O 3.57Å; G389-F403 WeakPolarHBondContact CA-O 3.33Å
390F94.6Very high90.1Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-150.8154.9174.957.4-104.2000112.9P339 L341 C370 W371 K392 F403 L405 F409P339-F390 HydrophobicContact CB-CE1 4.24Å; P339-F390 HydrophobicContact CB-CE2 3.98Å; P339-F390 HydrophobicContact CB-CZ 3.68Å; L341-F390 HydrophobicContact CD1-CZ 4.18Å; L341-F390 HydrophobicContact CD2-CE1 4.12Å; L341-F390 HydrophobicContact CD2-CZ 3.92Å; L341-F390 HydrophobicContact CG-CE1 4.47Å; L341-F390 HydrophobicContact CG-CZ 4.04Å; C370-F390 HydrophobicContact CB-CB 4.02Å; C370-F390 HydrophobicContact CB-CD2 3.54Å; C370-F390 HydrophobicContact CB-CE2 4.19Å; C370-F390 HydrophobicContact CB-CG 3.9Å; W371-F390 CarbonylContact O-C 3.55Å; W371-F390 WeakPolarHBondContact O-CA 3.41Å; W371-F390 VanDerWaalsContact O-CB 3.31Å; W371-F390 WeakPolarHBondContact O-CB 3.23Å; F390-K392 HydrophobicContact CD2-CB 4Å; F390-K392 HydrophobicContact CE2-CB 4.03Å; F390-K392 HydrophobicContact CE2-CD 4.23Å; F390-F403 HydrophobicContact CD2-CB 3.92Å; F390-F403 AromaticContact CD2-CD2 3.93Å; F390-F403 HydrophobicContact CD2-CD2 3.93Å; F390-F403 HydrophobicContact CD2-CG 4.15Å; F390-F403 HydrophobicContact CE1-CB 4.24Å; F390-F403 HydrophobicContact CE2-CB 3.58Å; F390-F403 HydrophobicContact CE2-CD1 4.24Å; F390-F403 AromaticContact CE2-CD2 3.45Å; F390-F403 HydrophobicContact CE2-CD2 3.45Å; F390-F403 VanDerWaalsContact CE2-CD2 3.45Å; F390-F403 HydrophobicContact CE2-CE2 4.19Å; F390-F403 AromaticContact CE2-CG 3.48Å; F390-F403 HydrophobicContact CE2-CG 3.48Å; F390-F403 VanDerWaalsContact CE2-CG 3.48Å; F390-F403 HydrophobicContact CG-CB 4.37Å; F390-F403 HydrophobicContact CZ-CB 3.76Å; F390-F403 HydrophobicContact CZ-CD1 4.3Å; F390-F403 HydrophobicContact CZ-CD2 4.29Å; F390-F403 AromaticContact CZ-CG 3.86Å; F390-F403 HydrophobicContact CZ-CG 3.86Å; F390-F403 PolarHBondContact N-O 2.93Å; F390-F403 PolarHBondContact O-N 3.13Å; F390-L405 HydrophobicContact CD1-CD1 3.9Å; F390-L405 HydrophobicContact CE1-CD1 3.47Å; F390-L405 VanDerWaalsContact CE1-CD1 3.47Å; F390-L405 HydrophobicContact CZ-CD1 4.43Å; F390-F409 HydrophobicContact CD1-CE1 4.46Å; F390-F409 HydrophobicContact CD1-CE2 4.35Å; F390-F409 AromaticContact CD1-CZ 3.86Å; F390-F409 HydrophobicContact CD1-CZ 3.86Å; F390-F409 HydrophobicContact CE1-CZ 4.49Å
391L94.2Very high90.6Very high3 Ų347 Ų472%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-91.9130.9170-65.3172.4000109.6F236 F332 L352 L357 I361 C370 W371 T373 L402F236-L391 HydrophobicContact CD1-CD1 4.25Å; F236-L391 HydrophobicContact CE1-CD1 4.42Å; F236-L391 HydrophobicContact CE1-CD2 4.03Å; F236-L391 HydrophobicContact CZ-CD2 4.49Å; F332-L391 HydrophobicContact CB-CD1 4.23Å; F332-L391 HydrophobicContact CD1-CD1 4.49Å; F332-L391 HydrophobicContact CG-CD1 4.28Å; L352-L391 HydrophobicContact CD1-CD2 4.04Å; L352-L391 HydrophobicContact CD2-CD2 3.88Å; L357-L391 HydrophobicContact CD2-CD1 4.29Å; I361-L391 HydrophobicContact CD1-CB 4.47Å; I361-L391 HydrophobicContact CD1-CD1 4.38Å; C370-L391 VanDerWaalsContact CA-O 3.28Å; C370-L391 WeakPolarHBondContact CA-O 3.34Å; C370-L391 WeakPolarHBondContact CB-O 3.17Å; W371-L391 PolarHBondContact N-O 3.45Å; W371-L391 PolarHBondContact O-N 3.43Å; T373-L391 HydrophobicContact CG2-CD1 4.33Å; T373-L391 HydrophobicContact CG2-CG 3.85Å; L391-L402 HydrophobicContact CD2-CB 4.03Å; L391-L402 HydrophobicContact CD2-CD1 3.94Å
392K93.1Very high91.2Very high26 Ų2637.9 Ų37.911%0.11321%0.212CC..EExtended strand (participates in β ladder)trans-142.4137.7178.7-177.8-176.4175.3-175.70110.9P339 P367 C370 F390 S401 F403P339-K392 HydrophobicContact CB-CD 4.48Å; P339-K392 HydrophobicContact CG-CD 4.33Å; P367-K392 WeakPolarHBondContact O-CE 3.33Å; C370-K392 HydrophobicContact CB-CB 4.18Å; F390-K392 HydrophobicContact CD2-CB 4Å; F390-K392 HydrophobicContact CE2-CB 4.03Å; F390-K392 HydrophobicContact CE2-CD 4.23Å; K392-S401 PolarHBondContact N-O 2.93Å; K392-S401 PolarHBondContact O-N 2.85Å; K392-F403 HydrophobicContact CB-CD2 4.1Å; K392-F403 HydrophobicContact CB-CE2 3.87Å; K392-F403 HydrophobicContact CD-CE2 4.26Å
393A93.2Very high91.7Very high7 Ų736.5 Ų36.56%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-71147172.500000111.5I361 L362 L397I361-A393 HydrophobicContact CG2-CB 4.09Å; L362-A393 HydrophobicContact CD2-CB 4.03Å; A393-L397 HydrophobicContact CB-CD2 4.11Å
394S91.8Very high92.2Very high17 Ų1729.1 Ų29.112%0.11916%0.16CC..  trans-62.8153.9168.974.80000110.5S396 L397 C398 T399S394-S396 PolarHBondContact O-N 3.38Å; S394-S396 PolarHBondContact OG-OG 2.96Å; S394-L397 PolarHBondContact O-N 2.87Å; S394-L397 PolarHBondContact OG-N 2.9Å; S394-L397 VanDerWaalsContact OG-N 3.11Å; S394-C398 PolarHBondContact OG-N 3.23Å; S394-T399 WeakPolarHBondContact CB-O 3.17Å; S394-T399 PolarHBondContact N-O 2.66Å; S394-T399 PolarHBondContact OG-N 3.01Å; S394-T399 PolarHBondContact OG-O 2.84Å
395W89.3Confident92.5Very high186 Ų18627.8 Ų27.871%0.70515%0.153SC*.THydrogen-bonded Turntrans-61.3-29.5172.9-68.794.7000112.3P367 L397P367-W395 HydrophobicContact CG-CE3 4.47Å; W395-L397 PolarHBondContact O-N 3.33Å
396S90.2Very high92.7Very high83 Ų8327.5 Ų27.558%0.5815%0.15SC*.THydrogen-bonded Turntrans-74.4-9.4173.656.90000114.1S394 C398S394-S396 PolarHBondContact O-N 3.38Å; S394-S396 PolarHBondContact OG-OG 2.96Å; S396-C398 PolarHBondContact O-N 3.35Å; S396-C398 VanDerWaalsContact O-N 3.17Å; S396-C398 PolarHBondContact O-SG 3.12Å; S396-C398 VanDerWaalsContact O-SG 3.37Å
397L89.2Confident92.8Very high59 Ų5926 Ų2631%0.30914%0.14SC..SBendtrans5428.1-174.6-57.7175.3000113.9L362 K365 P367 A393 S394 W395L362-L397 HydrophobicContact CD2-CB 4.33Å; L362-L397 WeakPolarHBondContact CD2-O 3.33Å; K365-L397 HydrophobicContact CB-CD1 4.43Å; K365-L397 HydrophobicContact CG-CD1 4.35Å; P367-L397 HydrophobicContact CB-CD2 4.2Å; P367-L397 HydrophobicContact CG-CD2 4.46Å; A393-L397 HydrophobicContact CB-CD2 4.11Å; S394-L397 PolarHBondContact O-N 2.87Å; S394-L397 PolarHBondContact OG-N 2.9Å; S394-L397 VanDerWaalsContact OG-N 3.11Å; W395-L397 PolarHBondContact O-N 3.33Å
398C90.7Very high92.8Very high91 Ų9126.6 Ų26.662%0.61514%0.142SC*.SBendtrans-94.5-32.5176.4-56.70000112S394 S396S394-C398 PolarHBondContact OG-N 3.23Å; S396-C398 PolarHBondContact O-N 3.35Å; S396-C398 VanDerWaalsContact O-N 3.17Å; S396-C398 PolarHBondContact O-SG 3.12Å; S396-C398 VanDerWaalsContact O-SG 3.37Å
399T92.1Very high92.7Very high36 Ų3626.6 Ų26.622%0.22114%0.142CC..  trans-138.5156.9-170.565.50000110.5E351 S394E351-T399 HydrophobicContact CG-CG2 4.32Å; E351-T399 WeakPolarHBondContact OE1-CG2 3.35Å; S394-T399 WeakPolarHBondContact CB-O 3.17Å; S394-T399 PolarHBondContact N-O 2.66Å; S394-T399 PolarHBondContact OG-N 3.01Å; S394-T399 PolarHBondContact OG-O 2.84Å
400V93.8Very high92.6Very high1 Ų128.3 Ų28.31%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-115.4137.5172.8177.70000107.2L352 T358 I361 L362L352-V400 HydrophobicContact CD2-CG1 4.44Å; L352-V400 PolarHBondContact N-O 2.9Å; T358-V400 HydrophobicContact CG2-CB 3.85Å; T358-V400 HydrophobicContact CG2-CG2 4.09Å; I361-V400 HydrophobicContact CB-CG2 4.01Å; I361-V400 HydrophobicContact CD1-CG1 3.93Å; I361-V400 HydrophobicContact CG2-CG1 4.29Å; I361-V400 HydrophobicContact CG2-CG2 3.8Å; L362-V400 HydrophobicContact CD2-CG2 3.91Å; L362-V400 HydrophobicContact CG-CG2 3.92Å
401S94.2Very high92.4Very high2 Ų231.2 Ų31.21%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-121.3141.8179.9-52.60000111.3K349 Y350 K392K349-S401 WeakPolarHBondContact CE-OG 3.41Å; Y350-S401 CarbonylContact O-C 3.5Å; Y350-S401 WeakPolarHBondContact O-CA 3.34Å; Y350-S401 WeakPolarHBondContact O-CB 3.4Å; K392-S401 PolarHBondContact N-O 2.93Å; K392-S401 PolarHBondContact O-N 2.85Å
402L94.5Very high92.3Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-87.4118.9164.9176.864.8000108.2L234 Y350 L352 T373 L391 V404L234-L402 HydrophobicContact CD1-CD2 3.86Å; Y350-L402 PolarHBondContact N-O 3.46Å; Y350-L402 PolarHBondContact O-N 3.48Å; L352-L402 HydrophobicContact CD1-CB 3.77Å; L352-L402 VanDerWaalsContact CD1-N 3.3Å; T373-L402 HydrophobicContact CG2-CD1 3.91Å; L391-L402 HydrophobicContact CD2-CB 4.03Å; L391-L402 HydrophobicContact CD2-CD1 3.94Å; L402-V404 HydrophobicContact CD2-CG2 4.02Å; L402-V404 HydrophobicContact CG-CG2 3.95Å
403F93.6Very high92.2Very high20 Ų2030.1 Ų30.19%0.08817%0.167CC..EExtended strand (participates in β ladder)trans-93.7117.4169.8-70-101.3000107.8F347 D348 K349 G389 F390 K392F347-F403 AromaticContact CD2-CD1 3.73Å; F347-F403 HydrophobicContact CD2-CD1 3.73Å; F347-F403 HydrophobicContact CD2-CE1 4.16Å; F347-F403 AromaticContact CE2-CD1 3.79Å; F347-F403 HydrophobicContact CE2-CD1 3.79Å; F347-F403 AromaticContact CE2-CE1 3.71Å; F347-F403 HydrophobicContact CE2-CE1 3.71Å; F347-F403 HydrophobicContact CZ-CE1 4.48Å; D348-F403 CarbonylContact O-C 3.52Å; D348-F403 WeakPolarHBondContact O-CA 3.4Å; K349-F403 HydrophobicContact CB-CD1 4.41Å; K349-F403 HydrophobicContact CB-CE1 4.28Å; K349-F403 HydrophobicContact CD-CE1 4.06Å; K349-F403 HydrophobicContact CD-CZ 3.91Å; K349-F403 HydrophobicContact CG-CD1 4.44Å; K349-F403 HydrophobicContact CG-CE1 4.02Å; K349-F403 HydrophobicContact CG-CE2 4.41Å; K349-F403 HydrophobicContact CG-CZ 4Å; G389-F403 CarbonylContact C-O 3.57Å; G389-F403 WeakPolarHBondContact CA-O 3.33Å; F390-F403 HydrophobicContact CD2-CB 3.92Å; F390-F403 AromaticContact CD2-CD2 3.93Å; F390-F403 HydrophobicContact CD2-CD2 3.93Å; F390-F403 HydrophobicContact CD2-CG 4.15Å; F390-F403 HydrophobicContact CE1-CB 4.24Å; F390-F403 HydrophobicContact CE2-CB 3.58Å; F390-F403 HydrophobicContact CE2-CD1 4.24Å; F390-F403 AromaticContact CE2-CD2 3.45Å; F390-F403 HydrophobicContact CE2-CD2 3.45Å; F390-F403 VanDerWaalsContact CE2-CD2 3.45Å; F390-F403 HydrophobicContact CE2-CE2 4.19Å; F390-F403 AromaticContact CE2-CG 3.48Å; F390-F403 HydrophobicContact CE2-CG 3.48Å; F390-F403 VanDerWaalsContact CE2-CG 3.48Å; F390-F403 HydrophobicContact CG-CB 4.37Å; F390-F403 HydrophobicContact CZ-CB 3.76Å; F390-F403 HydrophobicContact CZ-CD1 4.3Å; F390-F403 HydrophobicContact CZ-CD2 4.29Å; F390-F403 AromaticContact CZ-CG 3.86Å; F390-F403 HydrophobicContact CZ-CG 3.86Å; F390-F403 PolarHBondContact N-O 2.93Å; F390-F403 PolarHBondContact O-N 3.13Å; K392-F403 HydrophobicContact CB-CD2 4.1Å; K392-F403 HydrophobicContact CB-CE2 3.87Å; K392-F403 HydrophobicContact CD-CE2 4.26Å
404V93.9Very high92Very high0 Ų033.5 Ų33.50%019%0.189CC..EExtended strand (participates in β ladder)trans-99.5127.5177-173.10000108.6W306 D348 Y350 F388 L402W306-V404 HydrophobicContact CB-CG1 3.81Å; D348-V404 HydrophobicContact CB-CB 4.3Å; D348-V404 PolarHBondContact N-O 2.82Å; D348-V404 VanDerWaalsContact N-O 3.09Å; D348-V404 PolarHBondContact O-N 3Å; Y350-V404 HydrophobicContact CD2-CG2 3.76Å; Y350-V404 HydrophobicContact CE2-CB 4.36Å; Y350-V404 HydrophobicContact CE2-CG2 3.75Å; F388-V404 HydrophobicContact CD2-CG1 4.26Å; L402-V404 HydrophobicContact CD2-CG2 4.02Å; L402-V404 HydrophobicContact CG-CG2 3.95Å
405L92.9Very high91.9Very high1 Ų133 Ų331%0.00519%0.186CC..  trans-131.1173.5-169.8-78.7174.2000109.8L341 F347 F388 F390 F409 F413L341-L405 HydrophobicContact CD2-CD1 4.14Å; L341-L405 HydrophobicContact CD2-CD2 4.22Å; F347-L405 HydrophobicContact CB-CD2 3.54Å; F347-L405 HydrophobicContact CB-CG 4.45Å; F388-L405 CarbonylContact O-C 3.23Å; F388-L405 WeakPolarHBondContact O-CA 3.4Å; F388-L405 PolarHBondContact O-N 3.36Å; F390-L405 HydrophobicContact CD1-CD1 3.9Å; F390-L405 HydrophobicContact CE1-CD1 3.47Å; F390-L405 VanDerWaalsContact CE1-CD1 3.47Å; F390-L405 HydrophobicContact CZ-CD1 4.43Å; L405-F409 HydrophobicContact CB-CB 4.05Å; L405-F409 HydrophobicContact CB-CD1 3.85Å; L405-F409 HydrophobicContact CB-CG 4.01Å; L405-F409 HydrophobicContact CD1-CB 4.41Å; L405-F409 HydrophobicContact CD1-CD1 3.91Å; L405-F409 HydrophobicContact CD1-CD2 3.83Å; L405-F409 HydrophobicContact CD1-CE1 4.12Å; L405-F409 HydrophobicContact CD1-CE2 4.05Å; L405-F409 HydrophobicContact CD1-CG 3.77Å; L405-F409 HydrophobicContact CD1-CZ 4.2Å; L405-F413 HydrophobicContact CD1-CE2 4.36Å; L405-F413 HydrophobicContact CD2-CE2 4.35Å; L405-F413 HydrophobicContact CD2-CZ 3.97Å
406P92.5Very high91.7Very high1 Ų124.3 Ų24.31%0.00615%0.153CC..  trans-54.2150.8170-2027.7000111.4W306 F345 D408 F409 L412W306-P406 HydrophobicContact CD2-CG 4.2Å; W306-P406 HydrophobicContact CE3-CB 4.24Å; W306-P406 HydrophobicContact CE3-CG 4.29Å; W306-P406 HydrophobicContact CH2-CB 3.95Å; W306-P406 HydrophobicContact CH2-CG 3.56Å; W306-P406 HydrophobicContact CZ2-CB 4.34Å; W306-P406 HydrophobicContact CZ2-CG 3.51Å; W306-P406 HydrophobicContact CZ3-CB 3.89Å; W306-P406 HydrophobicContact CZ3-CG 3.97Å; F345-P406 HydrophobicContact CD1-CG 4.41Å; F345-P406 HydrophobicContact CE1-CG 3.24Å; F345-P406 HydrophobicContact CE2-CG 4.48Å; F345-P406 HydrophobicContact CZ-CG 3.3Å; P406-D408 PolarHBondContact O-N 3.29Å; P406-F409 PolarHBondContact O-N 3.33Å; P406-L412 HydrophobicContact CB-CD2 3.77Å; P406-L412 HydrophobicContact CG-CD2 3.75Å
407Y93.3Very high91.5Very high0 Ų024 Ų240%014%0.142CC..THydrogen-bonded Turntrans-61.1128.7171.6-165.5-98.3000110.5P309 S378 S379 C386 F388 Y438 I442 Y446P309-Y407 HydrophobicContact CB-CD2 4.27Å; P309-Y407 HydrophobicContact CB-CE2 4.37Å; P309-Y407 HydrophobicContact CG-CD2 4.25Å; P309-Y407 HydrophobicContact CG-CE2 4.32Å; S378-Y407 PolarHBondContact O-OH 3.29Å; S378-Y407 WeakPolarHBondContact OG-CE2 3.39Å; S378-Y407 PolarHBondContact OG-OH 3.19Å; S379-Y407 VanDerWaalsContact CB-OH 3.29Å; S379-Y407 WeakPolarHBondContact CB-OH 3.5Å; C386-Y407 HydrophobicContact CB-CD1 4.25Å; C386-Y407 HydrophobicContact CB-CE1 3.61Å; C386-Y407 HydrophobicContact CB-CE2 4.31Å; C386-Y407 PolarHBondContact N-OH 2.98Å; F388-Y407 HydrophobicContact CB-CD2 4.18Å; Y407-Y438 PolarHBondContact O-OH 2.78Å; Y407-I442 HydrophobicContact CD1-CB 4.05Å; Y407-I442 HydrophobicContact CD1-CG2 3.82Å; Y407-Y446 HydrophobicContact CD2-CE2 4.49Å
408D92.9Very high91.4Very high25 Ų2522.7 Ų22.713%0.13414%0.135CC..THydrogen-bonded Turntrans5547.8-172.8-165.533.8000114.1C386 P387 P406 P410 T411 L412 Y438C386-D408 HydrophobicContact CB-CB 3.75Å; P387-D408 WeakPolarHBondContact O-CA 3.27Å; P387-D408 PolarHBondContact O-N 3.05Å; P406-D408 PolarHBondContact O-N 3.29Å; D408-P410 VanDerWaalsContact C-N 3.33Å; D408-T411 VanDerWaalsContact CG-OG1 3.3Å; D408-T411 PolarHBondContact O-N 2.96Å; D408-T411 PolarHBondContact OD1-OG1 2.73Å; D408-T411 WeakPolarHBondContact OD2-CB 3.17Å; D408-T411 PolarHBondContact OD2-OG1 3.35Å; D408-L412 PolarHBondContact O-N 3.33Å; D408-Y438 HydrophobicContact CB-CE2 4.04Å
409F92.7Very high91.2Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-54.7-32.3178.471.5-91000115.7D340 H372 P387 F390 L405 P406 T411 L412 F413D340-F409 HydrophobicContact CB-CE2 4.49Å; H372-F409 AromaticContact CE1-CZ 3.93Å; H372-F409 AromaticContact NE2-CZ 3.67Å; P387-F409 HydrophobicContact CB-CE1 3.96Å; P387-F409 HydrophobicContact CG-CE1 4.39Å; F390-F409 HydrophobicContact CD1-CE1 4.46Å; F390-F409 HydrophobicContact CD1-CE2 4.35Å; F390-F409 AromaticContact CD1-CZ 3.86Å; F390-F409 HydrophobicContact CD1-CZ 3.86Å; F390-F409 HydrophobicContact CE1-CZ 4.49Å; L405-F409 HydrophobicContact CB-CB 4.05Å; L405-F409 HydrophobicContact CB-CD1 3.85Å; L405-F409 HydrophobicContact CB-CG 4.01Å; L405-F409 HydrophobicContact CD1-CB 4.41Å; L405-F409 HydrophobicContact CD1-CD1 3.91Å; L405-F409 HydrophobicContact CD1-CD2 3.83Å; L405-F409 HydrophobicContact CD1-CE1 4.12Å; L405-F409 HydrophobicContact CD1-CE2 4.05Å; L405-F409 HydrophobicContact CD1-CG 3.77Å; L405-F409 HydrophobicContact CD1-CZ 4.2Å; P406-F409 PolarHBondContact O-N 3.33Å; F409-T411 VanDerWaalsContact C-N 3.33Å; F409-T411 PolarHBondContact O-N 3.07Å; F409-L412 PolarHBondContact O-N 3.47Å; F409-F413 HydrophobicContact CB-CD2 4.35Å; F409-F413 HydrophobicContact CB-CE2 4.08Å; F409-F413 HydrophobicContact CB-CZ 4.2Å; F409-F413 AromaticContact CD2-CD2 3.88Å; F409-F413 HydrophobicContact CD2-CD2 3.88Å; F409-F413 AromaticContact CD2-CE2 3.83Å; F409-F413 HydrophobicContact CD2-CE2 3.83Å; F409-F413 HydrophobicContact CG-CE2 4.35Å; F409-F413 WeakPolarHBondContact O-CB 3.44Å; F409-F413 VanDerWaalsContact O-CG 3.24Å; F409-F413 WeakPolarHBondContact O-CG 3.48Å; F409-F413 PolarHBondContact O-N 2.96Å
410P91.7Very high90.7Very high36 Ų3621 Ų2123%0.23411%0.111CC..Hα-helixtrans-61.6-41.6179.6-23.935.9000112.4P387 D408 S414P387-P410 HydrophobicContact CG-CG 3.91Å; D408-P410 VanDerWaalsContact C-N 3.33Å; P410-S414 WeakPolarHBondContact O-CB 3.32Å; P410-S414 PolarHBondContact O-N 2.76Å; P410-S414 VanDerWaalsContact O-N 3.1Å
411T91.4Very high90.2Very high61 Ų6128.1 Ų28.137%0.37414%0.142SC..Hα-helixtrans-66.4-47.1176.2-54.90000110.7D408 F409 F413 S414 L415 Y438D408-T411 VanDerWaalsContact CG-OG1 3.3Å; D408-T411 PolarHBondContact O-N 2.96Å; D408-T411 PolarHBondContact OD1-OG1 2.73Å; D408-T411 WeakPolarHBondContact OD2-CB 3.17Å; D408-T411 PolarHBondContact OD2-OG1 3.35Å; F409-T411 VanDerWaalsContact C-N 3.33Å; F409-T411 PolarHBondContact O-N 3.07Å; T411-F413 PolarHBondContact O-N 2.89Å; T411-S414 PolarHBondContact O-N 3.49Å; T411-L415 HydrophobicContact CG2-CD1 4.36Å; T411-L415 WeakPolarHBondContact O-CG 3.31Å; T411-L415 PolarHBondContact O-N 3.05Å; T411-L415 VanDerWaalsContact O-N 3.08Å; T411-Y438 HydrophobicContact CG2-CD2 4.02Å
412L90.8Very high89.5Confident0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-60-46.4178.917962.1000112F345 P406 D408 F409 L415 I416 F435 Y438 L450F345-L412 HydrophobicContact CE2-CD2 4.18Å; F345-L412 HydrophobicContact CZ-CD2 4.07Å; P406-L412 HydrophobicContact CB-CD2 3.77Å; P406-L412 HydrophobicContact CG-CD2 3.75Å; D408-L412 PolarHBondContact O-N 3.33Å; F409-L412 PolarHBondContact O-N 3.47Å; L412-L415 PolarHBondContact O-N 3.28Å; L412-I416 HydrophobicContact CD1-CD1 3.89Å; L412-I416 HydrophobicContact CD1-CG1 4.2Å; L412-I416 HydrophobicContact CD2-CD1 4.37Å; L412-I416 HydrophobicContact CG-CD1 3.78Å; L412-I416 HydrophobicContact CG-CG1 4.43Å; L412-I416 WeakPolarHBondContact O-CG1 3.48Å; L412-I416 PolarHBondContact O-N 3.4Å; L412-F435 HydrophobicContact CD1-CE2 4.1Å; L412-Y438 HydrophobicContact CB-CE1 4.18Å; L412-Y438 HydrophobicContact CB-CE2 3.99Å; L412-Y438 HydrophobicContact CD1-CD1 4.29Å; L412-Y438 HydrophobicContact CD1-CE1 3.75Å; L412-Y438 HydrophobicContact CD2-CE1 4.47Å; L412-Y438 HydrophobicContact CG-CE1 4.34Å; L412-L450 HydrophobicContact CD1-CD1 4.4Å; L412-L450 HydrophobicContact CD2-CD1 3.72Å
413F91.2Very high88.6Confident7 Ų737.4 Ų37.43%0.03118%0.183CC..Hα-helixtrans-67.3-39.1-177.9-68.8-8.3000111.4D340 L342 F345 L405 F409 T411 L415 I416 E417D340-F413 HydrophobicContact CB-CD2 4.19Å; D340-F413 VanDerWaalsContact O-CD2 3.29Å; D340-F413 WeakPolarHBondContact O-CD2 3.47Å; D340-F413 WeakPolarHBondContact O-CE2 3.13Å; L342-F413 HydrophobicContact CD1-CB 4.12Å; L342-F413 HydrophobicContact CD1-CD1 3.38Å; L342-F413 HydrophobicContact CD1-CE1 3.84Å; L342-F413 HydrophobicContact CD1-CG 3.79Å; L342-F413 HydrophobicContact CG-CB 4.36Å; L342-F413 HydrophobicContact CG-CD1 4.05Å; L342-F413 HydrophobicContact CG-CD2 4.4Å; L342-F413 HydrophobicContact CG-CE1 4.4Å; L342-F413 HydrophobicContact CG-CG 4.03Å; F345-F413 HydrophobicContact CB-CE1 4.46Å; F345-F413 AromaticContact CD1-CE1 3.83Å; F345-F413 HydrophobicContact CD1-CE1 3.83Å; F345-F413 AromaticContact CD1-CZ 3.9Å; F345-F413 HydrophobicContact CD1-CZ 3.9Å; F345-F413 AromaticContact CD2-CE1 3.83Å; F345-F413 HydrophobicContact CD2-CE1 3.83Å; F345-F413 HydrophobicContact CE1-CE1 4.05Å; F345-F413 HydrophobicContact CE1-CZ 4.31Å; F345-F413 HydrophobicContact CE2-CE1 4.07Å; F345-F413 AromaticContact CG-CE1 3.76Å; F345-F413 HydrophobicContact CG-CE1 3.76Å; F345-F413 HydrophobicContact CG-CZ 4.1Å; F345-F413 HydrophobicContact CZ-CE1 4.18Å; L405-F413 HydrophobicContact CD1-CE2 4.36Å; L405-F413 HydrophobicContact CD2-CE2 4.35Å; L405-F413 HydrophobicContact CD2-CZ 3.97Å; F409-F413 HydrophobicContact CB-CD2 4.35Å; F409-F413 HydrophobicContact CB-CE2 4.08Å; F409-F413 HydrophobicContact CB-CZ 4.2Å; F409-F413 AromaticContact CD2-CD2 3.88Å; F409-F413 HydrophobicContact CD2-CD2 3.88Å; F409-F413 AromaticContact CD2-CE2 3.83Å; F409-F413 HydrophobicContact CD2-CE2 3.83Å; F409-F413 HydrophobicContact CG-CE2 4.35Å; F409-F413 WeakPolarHBondContact O-CB 3.44Å; F409-F413 VanDerWaalsContact O-CG 3.24Å; F409-F413 WeakPolarHBondContact O-CG 3.48Å; F409-F413 PolarHBondContact O-N 2.96Å; T411-F413 PolarHBondContact O-N 2.89Å; F413-L415 VanDerWaalsContact C-N 3.32Å; F413-L415 PolarHBondContact O-N 3.22Å; F413-I416 HydrophobicContact CD1-CD1 4.44Å; F413-I416 PolarHBondContact O-N 3.36Å; F413-E417 WeakPolarHBondContact O-CB 3.44Å; F413-E417 WeakPolarHBondContact O-CG 3.3Å; F413-E417 PolarHBondContact O-N 3.24Å
414S89.8Confident87.7Confident77 Ų7741.4 Ų41.454%0.53821%0.214SC..Hα-helixtrans-57.1-44.3171.2-167.50000112.3P410 T411 E417 E418P410-S414 WeakPolarHBondContact O-CB 3.32Å; P410-S414 PolarHBondContact O-N 2.76Å; P410-S414 VanDerWaalsContact O-N 3.1Å; T411-S414 PolarHBondContact O-N 3.49Å; S414-E417 PolarHBondContact O-N 3.37Å; S414-E418 WeakPolarHBondContact O-CB 3.46Å; S414-E418 PolarHBondContact O-N 2.98Å
415L88.4Confident86.7Confident8 Ų842.6 Ų42.64%0.04223%0.227CC..Hα-helixtrans-66.5-40.8177.6-69.3173000112.7T411 L412 F413 E418 L419 W431 R434 F435T411-L415 HydrophobicContact CG2-CD1 4.36Å; T411-L415 WeakPolarHBondContact O-CG 3.31Å; T411-L415 PolarHBondContact O-N 3.05Å; T411-L415 VanDerWaalsContact O-N 3.08Å; L412-L415 PolarHBondContact O-N 3.28Å; F413-L415 VanDerWaalsContact C-N 3.32Å; F413-L415 PolarHBondContact O-N 3.22Å; L415-E418 PolarHBondContact O-N 3.21Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 PolarHBondContact O-N 3.31Å; L415-W431 HydrophobicContact CB-CZ2 4.46Å; L415-W431 PolarHBondContact O-NE1 3.38Å; L415-R434 HydrophobicContact CD2-CB 4.02Å; L415-F435 HydrophobicContact CD1-CD2 4.32Å
416I86.5Confident86Confident2 Ų250.2 Ų50.21%0.0126%0.259CS..Hα-helixtrans-67.8-41177.7-68.2170.8000110.8L342 F345 L412 F413 L419 R420 M454 I457L342-I416 HydrophobicContact CD1-CB 4.01Å; L342-I416 HydrophobicContact CD1-CD1 4.05Å; L342-I416 HydrophobicContact CD1-CG2 3.75Å; F345-I416 HydrophobicContact CD2-CD1 4.16Å; F345-I416 HydrophobicContact CE2-CD1 4.01Å; L412-I416 HydrophobicContact CD1-CD1 3.89Å; L412-I416 HydrophobicContact CD1-CG1 4.2Å; L412-I416 HydrophobicContact CD2-CD1 4.37Å; L412-I416 HydrophobicContact CG-CD1 3.78Å; L412-I416 HydrophobicContact CG-CG1 4.43Å; L412-I416 WeakPolarHBondContact O-CG1 3.48Å; L412-I416 PolarHBondContact O-N 3.4Å; F413-I416 HydrophobicContact CD1-CD1 4.44Å; F413-I416 PolarHBondContact O-N 3.36Å; I416-L419 PolarHBondContact O-N 3.19Å; I416-R420 WeakPolarHBondContact O-CB 3.42Å; I416-R420 PolarHBondContact O-N 2.96Å; I416-M454 HydrophobicContact CD1-SD 3.97Å; I416-M454 HydrophobicContact CG1-SD 4.37Å; I416-I457 HydrophobicContact CD1-CD1 4.24Å
417E86.4Confident85.4Confident76 Ų7652.4 Ų52.436%0.35527%0.274SS..Hα-helixtrans-65-41175.6-74.7-159.2-17800112.4L342 F413 S414 L419 R420 K421L342-E417 HydrophobicContact CD2-CG 3.82Å; F413-E417 WeakPolarHBondContact O-CB 3.44Å; F413-E417 WeakPolarHBondContact O-CG 3.3Å; F413-E417 PolarHBondContact O-N 3.24Å; S414-E417 PolarHBondContact O-N 3.37Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.46Å; E417-R420 PolarHBondContact O-N 3.27Å; E417-K421 WeakPolarHBondContact O-CB 3.28Å; E417-K421 PolarHBondContact O-N 3.26Å; E417-K421 IonicContact OE1-NZ 3.85Å; E417-K421 IonicContact OE2-NZ 2.75Å; E417-K421 PolarHBondContact OE2-NZ 3.23Å
418E87.1Confident85Confident33 Ų3355.3 Ų55.315%0.15429%0.292CS..Iπ-helixtrans-59.3-44.1172.5177.6168.6-16900111S414 L415 R420 K422 L423 R434S414-E418 WeakPolarHBondContact O-CB 3.46Å; S414-E418 PolarHBondContact O-N 2.98Å; L415-E418 PolarHBondContact O-N 3.21Å; E418-R420 PolarHBondContact O-N 3.04Å; E418-K422 HydrophobicContact CG-CD 4.23Å; E418-K422 WeakPolarHBondContact O-CA 3.25Å; E418-K422 WeakPolarHBondContact O-CB 3.37Å; E418-K422 PolarHBondContact O-N 3.42Å; E418-L423 HydrophobicContact CG-CD1 4.46Å; E418-L423 PolarHBondContact O-N 3.49Å; E418-L423 VanDerWaalsContact O-N 3.14Å; E418-R434 IonicContact OE1-CZ 3.71Å; E418-R434 IonicContact OE1-NH1 2.75Å; E418-R434 IonicContact OE1-NH2 3.42Å; E418-R434 PolarHBondContact OE1-NH2 3.39Å; E418-R434 IonicContact OE2-CZ 3.65Å; E418-R434 IonicContact OE2-NH1 3.55Å; E418-R434 PolarHBondContact OE2-NH1 2.89Å; E418-R434 IonicContact OE2-NH2 3.35Å; E418-R434 PolarHBondContact OE2-NH2 3.4Å
419L84.9Confident84.6Confident0 Ų057.9 Ų57.90%032%0.317CS..Iπ-helixtrans-62.3-41.6177.6-173.366.3000112.3L415 I416 E417 L423 S424 G425 P427 W431 F459 L462L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 PolarHBondContact O-N 3.31Å; I416-L419 PolarHBondContact O-N 3.19Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.46Å; L419-L423 HydrophobicContact CD1-CB 4.31Å; L419-L423 HydrophobicContact CD1-CD1 4.29Å; L419-L423 CarbonylContact O-C 3.6Å; L419-S424 PolarHBondContact O-N 3.12Å; L419-G425 PolarHBondContact O-N 3.41Å; L419-G425 VanDerWaalsContact O-N 3.08Å; L419-P427 HydrophobicContact CD1-CB 4.13Å; L419-W431 HydrophobicContact CB-CZ2 4.13Å; L419-W431 HydrophobicContact CD1-CD2 4.41Å; L419-W431 HydrophobicContact CD1-CZ2 4.39Å; L419-W431 HydrophobicContact CD2-CH2 4.09Å; L419-W431 HydrophobicContact CD2-CZ2 3.85Å; L419-W431 HydrophobicContact CG-CZ2 4.35Å; L419-F459 HydrophobicContact CD2-CD1 3.88Å; L419-F459 HydrophobicContact CD2-CD2 3.94Å; L419-F459 HydrophobicContact CD2-CE1 3.86Å; L419-F459 HydrophobicContact CD2-CE2 3.91Å; L419-F459 HydrophobicContact CD2-CG 3.93Å; L419-F459 HydrophobicContact CD2-CZ 3.88Å; L419-F459 HydrophobicContact CG-CE1 4.34Å; L419-F459 HydrophobicContact CG-CZ 4.2Å; L419-L462 HydrophobicContact CD2-CD1 3.94Å
420R83.3Confident84.3Confident91 Ų9164.8 Ų64.834%0.34335%0.349SS..Iπ-helixtrans-76.9-51.8-176.7-163.8-173.7-47.3-174.42.1112.6D344 I416 E417 E418D344-R420 IonicContact OD2-NH1 2.67Å; I416-R420 WeakPolarHBondContact O-CB 3.42Å; I416-R420 PolarHBondContact O-N 2.96Å; E417-R420 PolarHBondContact O-N 3.27Å; E418-R420 PolarHBondContact O-N 3.04Å
421K82.9Confident84.3Confident151 Ų15163.2 Ų63.266%0.65734%0.338SS*.Iπ-helixtrans-82.8-42.1-172.3-65.2174.7-178.6164.30112.4E417E417-K421 WeakPolarHBondContact O-CB 3.28Å; E417-K421 PolarHBondContact O-N 3.26Å; E417-K421 IonicContact OE1-NZ 3.85Å; E417-K421 IonicContact OE2-NZ 2.75Å; E417-K421 PolarHBondContact OE2-NZ 3.23Å
422K78.8Confident84Confident165 Ų16562.1 Ų62.172%0.71733%0.333SS*.Iπ-helixtrans-97.1-36.6-172.2-58.9-173.7-174.3168.90113.2E418E418-K422 HydrophobicContact CG-CD 4.23Å; E418-K422 WeakPolarHBondContact O-CA 3.25Å; E418-K422 WeakPolarHBondContact O-CB 3.37Å; E418-K422 PolarHBondContact O-N 3.42Å
423L75.9Confident84Confident31 Ų3167.4 Ų67.416%0.16236%0.361CS..SBendtrans-103.2-0.9-170.5-64.2178.3000114.5E418 L419 G425 K426 T428 W431E418-L423 HydrophobicContact CG-CD1 4.46Å; E418-L423 PolarHBondContact O-N 3.49Å; E418-L423 VanDerWaalsContact O-N 3.14Å; L419-L423 HydrophobicContact CD1-CB 4.31Å; L419-L423 HydrophobicContact CD1-CD1 4.29Å; L419-L423 CarbonylContact O-C 3.6Å; L423-G425 PolarHBondContact O-N 3.16Å; L423-G425 VanDerWaalsContact O-N 3.09Å; L423-K426 WeakPolarHBondContact CB-O 3.44Å; L423-K426 PolarHBondContact O-N 2.99Å; L423-T428 HydrophobicContact CD2-CG2 3.68Å; L423-W431 HydrophobicContact CD1-CB 3.97Å; L423-W431 HydrophobicContact CD1-CG 3.98Å
424S74.9Confident84Confident104 Ų10471.7 Ų71.773%0.72738%0.377SS*.THydrogen-bonded Turntrans49.935.4179.863.10000113.6L419 K426L419-S424 PolarHBondContact O-N 3.12Å; S424-K426 PolarHBondContact O-N 2.49Å
425G72.5Confident84Confident26 Ų2668.3 Ų68.327%0.26835%0.352SS..THydrogen-bonded Turntrans79.55.6-179.900000116.3L419 L423L419-G425 PolarHBondContact O-N 3.41Å; L419-G425 VanDerWaalsContact O-N 3.08Å; L423-G425 PolarHBondContact O-N 3.16Å; L423-G425 VanDerWaalsContact O-N 3.09Å
426K78.4Confident84Confident160 Ų16072.7 Ų72.770%0.69637%0.372SS*.  trans-105.8105.9175-67.9-177-177.1176.20110.8L423 S424 T428L423-K426 WeakPolarHBondContact CB-O 3.44Å; L423-K426 PolarHBondContact O-N 2.99Å; S424-K426 PolarHBondContact O-N 2.49Å; K426-T428 PolarHBondContact O-N 2.94Å
427P78.9Confident84.2Confident48 Ų4879.3 Ų79.331%0.31240%0.403SS..  trans-66.6131.5-177.630.5-37.2000110.9L419 W431 L462L419-P427 HydrophobicContact CD1-CB 4.13Å; P427-W431 HydrophobicContact CB-CD2 4.19Å; P427-W431 HydrophobicContact CB-CE3 3.46Å; P427-W431 VanDerWaalsContact CB-CE3 3.46Å; P427-W431 HydrophobicContact CB-CZ3 3.91Å; P427-L462 HydrophobicContact CG-CD1 4.46Å; P427-L462 HydrophobicContact CG-CD2 3.78Å
428T85.3Confident84.5Confident60 Ų6076 Ų7637%0.36839%0.388SS..  trans-80.5157.7170.842.50000110.6L423 K426 Q430 W431 C432L423-T428 HydrophobicContact CD2-CG2 3.68Å; K426-T428 PolarHBondContact O-N 2.94Å; T428-Q430 PolarHBondContact O-N 2.77Å; T428-W431 WeakPolarHBondContact O-CA 3.25Å; T428-W431 WeakPolarHBondContact O-CB 3.46Å; T428-W431 PolarHBondContact O-N 3.38Å; T428-W431 WeakPolarHBondContact OG1-CB 3.41Å; T428-C432 PolarHBondContact O-N 3.41Å; T428-C432 PolarHBondContact O-SG 2.96Å
429A84.2Confident84.6Confident80 Ų8075.3 Ų75.366%0.66139%0.385SS*.Hα-helixtrans-55.2-37.817700000112.7C432 L433A429-C432 PolarHBondContact O-N 2.9Å; A429-L433 WeakPolarHBondContact O-CG 2.95Å; A429-L433 PolarHBondContact O-N 3.2Å; A429-L433 VanDerWaalsContact O-N 3.1Å
430Q87.9Confident84.7Confident145 Ų14580.6 Ų80.668%0.67841%0.414SS*.Hα-helixtrans-67.1-35.1174.8-69.6-177.8-14.300113.1T428 R434T428-Q430 PolarHBondContact O-N 2.77Å; Q430-R434 PolarHBondContact O-N 2.99Å
431W90Very high85Confident2 Ų277.8 Ų77.81%0.00841%0.408CS..Hα-helixtrans-69.6-43.4175.5-175.996000110.7L415 L419 L423 P427 T428 L433 R434 F435 L462L415-W431 HydrophobicContact CB-CZ2 4.46Å; L415-W431 PolarHBondContact O-NE1 3.38Å; L419-W431 HydrophobicContact CB-CZ2 4.13Å; L419-W431 HydrophobicContact CD1-CD2 4.41Å; L419-W431 HydrophobicContact CD1-CZ2 4.39Å; L419-W431 HydrophobicContact CD2-CH2 4.09Å; L419-W431 HydrophobicContact CD2-CZ2 3.85Å; L419-W431 HydrophobicContact CG-CZ2 4.35Å; L423-W431 HydrophobicContact CD1-CB 3.97Å; L423-W431 HydrophobicContact CD1-CG 3.98Å; P427-W431 HydrophobicContact CB-CD2 4.19Å; P427-W431 HydrophobicContact CB-CE3 3.46Å; P427-W431 VanDerWaalsContact CB-CE3 3.46Å; P427-W431 HydrophobicContact CB-CZ3 3.91Å; T428-W431 WeakPolarHBondContact O-CA 3.25Å; T428-W431 WeakPolarHBondContact O-CB 3.46Å; T428-W431 PolarHBondContact O-N 3.38Å; T428-W431 WeakPolarHBondContact OG1-CB 3.41Å; W431-L433 VanDerWaalsContact C-N 3.33Å; W431-L433 PolarHBondContact O-N 3.33Å; W431-R434 PolarHBondContact O-N 3.46Å; W431-F435 HydrophobicContact CD2-CB 4.48Å; W431-F435 HydrophobicContact CE3-CB 4.06Å; W431-F435 HydrophobicContact CH2-CB 3.92Å; W431-F435 HydrophobicContact CH2-CD1 4.17Å; W431-F435 AromaticContact CH2-CD2 3.75Å; W431-F435 HydrophobicContact CH2-CD2 3.75Å; W431-F435 HydrophobicContact CH2-CE2 4.32Å; W431-F435 AromaticContact CH2-CG 3.66Å; W431-F435 HydrophobicContact CH2-CG 3.66Å; W431-F435 HydrophobicContact CZ2-CB 4.35Å; W431-F435 HydrophobicContact CZ2-CD2 4.07Å; W431-F435 HydrophobicContact CZ2-CG 4.3Å; W431-F435 HydrophobicContact CZ3-CB 3.77Å; W431-F435 HydrophobicContact CZ3-CD1 4.17Å; W431-F435 HydrophobicContact CZ3-CD2 4.41Å; W431-F435 AromaticContact CZ3-CG 3.85Å; W431-F435 HydrophobicContact CZ3-CG 3.85Å; W431-F435 WeakPolarHBondContact O-CB 3.15Å; W431-F435 PolarHBondContact O-N 3.43Å; W431-L462 HydrophobicContact CH2-CD1 3.84Å; W431-L462 HydrophobicContact CZ3-CD1 3.89Å
432C86.1Confident85.3Confident39 Ų3970.8 Ų70.826%0.26438%0.378SS..Hα-helixtrans-57.8-45.2176-64.50000111.5T428 A429 R434 F435 E436T428-C432 PolarHBondContact O-N 3.41Å; T428-C432 PolarHBondContact O-SG 2.96Å; A429-C432 PolarHBondContact O-N 2.9Å; C432-R434 PolarHBondContact O-N 3.29Å; C432-F435 PolarHBondContact O-N 3.4Å; C432-E436 WeakPolarHBondContact O-CB 3.47Å; C432-E436 VanDerWaalsContact O-CG 3.28Å; C432-E436 WeakPolarHBondContact O-CG 3.19Å; C432-E436 PolarHBondContact O-N 3.47Å
433L90.3Very high85.9Confident111 Ų11163 Ų6358%0.58134%0.344SS*.Hα-helixtrans-60.3-43.9177-71.5171.5000112.5A429 W431 E436 E437A429-L433 WeakPolarHBondContact O-CG 2.95Å; A429-L433 PolarHBondContact O-N 3.2Å; A429-L433 VanDerWaalsContact O-N 3.1Å; W431-L433 VanDerWaalsContact C-N 3.33Å; W431-L433 PolarHBondContact O-N 3.33Å; L433-E436 PolarHBondContact O-N 3.47Å; L433-E437 WeakPolarHBondContact O-CB 3.25Å; L433-E437 PolarHBondContact O-N 2.86Å
434R90.7Very high86.5Confident97 Ų9762.8 Ų62.837%0.36635%0.345SS..Hα-helixtrans-66.7-37.4176.4-74.8-166.5-90.8144.9-3.5112.3L415 E418 Q430 W431 C432 E437 Y438L415-R434 HydrophobicContact CD2-CB 4.02Å; E418-R434 IonicContact OE1-CZ 3.71Å; E418-R434 IonicContact OE1-NH1 2.75Å; E418-R434 IonicContact OE1-NH2 3.42Å; E418-R434 PolarHBondContact OE1-NH2 3.39Å; E418-R434 IonicContact OE2-CZ 3.65Å; E418-R434 IonicContact OE2-NH1 3.55Å; E418-R434 PolarHBondContact OE2-NH1 2.89Å; E418-R434 IonicContact OE2-NH2 3.35Å; E418-R434 PolarHBondContact OE2-NH2 3.4Å; Q430-R434 PolarHBondContact O-N 2.99Å; W431-R434 PolarHBondContact O-N 3.46Å; C432-R434 PolarHBondContact O-N 3.29Å; R434-E437 PolarHBondContact O-N 3.3Å; R434-Y438 PolarHBondContact O-N 2.96Å
435F90Very high87.3Confident6 Ų658.4 Ų58.43%0.02631%0.312CS..Hα-helixtrans-69.9-39.1176.5-174-104.1000111.9L412 L415 W431 C432 E437 Y438 V439 M454 L462 V463L412-F435 HydrophobicContact CD1-CE2 4.1Å; L415-F435 HydrophobicContact CD1-CD2 4.32Å; W431-F435 HydrophobicContact CD2-CB 4.48Å; W431-F435 HydrophobicContact CE3-CB 4.06Å; W431-F435 HydrophobicContact CH2-CB 3.92Å; W431-F435 HydrophobicContact CH2-CD1 4.17Å; W431-F435 AromaticContact CH2-CD2 3.75Å; W431-F435 HydrophobicContact CH2-CD2 3.75Å; W431-F435 HydrophobicContact CH2-CE2 4.32Å; W431-F435 AromaticContact CH2-CG 3.66Å; W431-F435 HydrophobicContact CH2-CG 3.66Å; W431-F435 HydrophobicContact CZ2-CB 4.35Å; W431-F435 HydrophobicContact CZ2-CD2 4.07Å; W431-F435 HydrophobicContact CZ2-CG 4.3Å; W431-F435 HydrophobicContact CZ3-CB 3.77Å; W431-F435 HydrophobicContact CZ3-CD1 4.17Å; W431-F435 HydrophobicContact CZ3-CD2 4.41Å; W431-F435 AromaticContact CZ3-CG 3.85Å; W431-F435 HydrophobicContact CZ3-CG 3.85Å; W431-F435 WeakPolarHBondContact O-CB 3.15Å; W431-F435 PolarHBondContact O-N 3.43Å; C432-F435 PolarHBondContact O-N 3.4Å; F435-E437 VanDerWaalsContact C-N 3.35Å; F435-Y438 HydrophobicContact CE2-CD1 4.37Å; F435-Y438 WeakPolarHBondContact O-CB 3.06Å; F435-Y438 PolarHBondContact O-N 3.02Å; F435-V439 HydrophobicContact CD1-CG2 4.1Å; F435-V439 HydrophobicContact CE1-CG2 3.72Å; F435-V439 HydrophobicContact CZ-CG2 3.96Å; F435-V439 WeakPolarHBondContact O-CG2 3.42Å; F435-V439 PolarHBondContact O-N 2.83Å; F435-M454 HydrophobicContact CE2-CE 4.25Å; F435-M454 HydrophobicContact CZ-CE 4.18Å; F435-L462 WeakPolarHBondContact CE1-O 3.43Å; F435-V463 HydrophobicContact CZ-CG2 4.29Å
436E89Confident88.2Confident100 Ų10057.2 Ų57.247%0.46730%0.3SS..Hα-helixtrans-63-40.5172.1-76171.9-168.900111.5C432 L433 Y438 V439 N440C432-E436 WeakPolarHBondContact O-CB 3.47Å; C432-E436 VanDerWaalsContact O-CG 3.28Å; C432-E436 WeakPolarHBondContact O-CG 3.19Å; C432-E436 PolarHBondContact O-N 3.47Å; L433-E436 PolarHBondContact O-N 3.47Å; E436-Y438 VanDerWaalsContact C-N 3.35Å; E436-V439 PolarHBondContact O-N 2.97Å; E436-N440 WeakPolarHBondContact O-CB 3.38Å; E436-N440 PolarHBondContact O-N 2.76Å; E436-N440 PolarHBondContact O-ND2 3.16Å
437E90.8Very high88.7Confident141 Ų14150.1 Ų50.166%0.65927%0.269SS*.Hα-helixtrans-61.1-43173.3-174.3173.9-163.200111.7L433 R434 F435 N440 S441L433-E437 WeakPolarHBondContact O-CB 3.25Å; L433-E437 PolarHBondContact O-N 2.86Å; R434-E437 PolarHBondContact O-N 3.3Å; F435-E437 VanDerWaalsContact C-N 3.35Å; E437-N440 PolarHBondContact O-N 2.89Å; E437-S441 PolarHBondContact O-N 2.85Å; E437-S441 VanDerWaalsContact O-N 3.13Å
438Y91.7Very high89.1Confident6 Ų653 Ų532%0.02428%0.278CS..Hα-helixtrans-62.9-46.8173.2170.9-96.4000112.4Y407 D408 T411 L412 R434 F435 E436 N440 S441 I442 L450Y407-Y438 PolarHBondContact O-OH 2.78Å; D408-Y438 HydrophobicContact CB-CE2 4.04Å; T411-Y438 HydrophobicContact CG2-CD2 4.02Å; L412-Y438 HydrophobicContact CB-CE1 4.18Å; L412-Y438 HydrophobicContact CB-CE2 3.99Å; L412-Y438 HydrophobicContact CD1-CD1 4.29Å; L412-Y438 HydrophobicContact CD1-CE1 3.75Å; L412-Y438 HydrophobicContact CD2-CE1 4.47Å; L412-Y438 HydrophobicContact CG-CE1 4.34Å; R434-Y438 PolarHBondContact O-N 2.96Å; F435-Y438 HydrophobicContact CE2-CD1 4.37Å; F435-Y438 WeakPolarHBondContact O-CB 3.06Å; F435-Y438 PolarHBondContact O-N 3.02Å; E436-Y438 VanDerWaalsContact C-N 3.35Å; Y438-N440 PolarHBondContact O-N 2.85Å; Y438-S441 PolarHBondContact O-N 3.23Å; Y438-S441 PolarHBondContact O-OG 3.1Å; Y438-I442 HydrophobicContact CD2-CG2 4.19Å; Y438-I442 HydrophobicContact CE1-CD1 3.91Å; Y438-I442 HydrophobicContact CE1-CG2 4.17Å; Y438-I442 HydrophobicContact CE2-CG2 3.66Å; Y438-I442 PolarHBondContact O-N 3.35Å; Y438-L450 HydrophobicContact CE1-CD2 4.16Å
439V89.4Confident89.3Confident18 Ų1850.7 Ų50.711%0.10926%0.264CS..Hα-helixtrans-59.5-36.2178.5165.90000111.5F435 E436 S441 M447 P464F435-V439 HydrophobicContact CD1-CG2 4.1Å; F435-V439 HydrophobicContact CE1-CG2 3.72Å; F435-V439 HydrophobicContact CZ-CG2 3.96Å; F435-V439 WeakPolarHBondContact O-CG2 3.42Å; F435-V439 PolarHBondContact O-N 2.83Å; E436-V439 PolarHBondContact O-N 2.97Å; V439-S441 VanDerWaalsContact C-N 3.33Å; V439-M447 HydrophobicContact CB-CE 4.48Å; V439-M447 HydrophobicContact CG1-CE 4Å; V439-M447 HydrophobicContact CG1-SD 3.63Å; V439-M447 HydrophobicContact CG2-CE 4.34Å; V439-P464 HydrophobicContact CG1-CG 4.35Å
440N87.5Confident89.6Confident112 Ų11246.9 Ų46.960%0.59923%0.233SC*.Hα-helixtrans-75.6-18175.8-72.1-49000114.1E436 E437 Y438E436-N440 WeakPolarHBondContact O-CB 3.38Å; E436-N440 PolarHBondContact O-N 2.76Å; E436-N440 PolarHBondContact O-ND2 3.16Å; E437-N440 PolarHBondContact O-N 2.89Å; Y438-N440 PolarHBondContact O-N 2.85Å
441S89.1Confident89.5Confident32 Ų3242.2 Ų42.222%0.22421%0.211CC..Hα-helixtrans-89.4-18.9-179.479.20000113.4W313 E437 Y438 V439W313-S441 VanDerWaalsContact CH2-O 3.3Å; W313-S441 WeakPolarHBondContact CH2-O 3.42Å; W313-S441 WeakPolarHBondContact CZ3-O 3.38Å; E437-S441 PolarHBondContact O-N 2.85Å; E437-S441 VanDerWaalsContact O-N 3.13Å; Y438-S441 PolarHBondContact O-N 3.23Å; Y438-S441 PolarHBondContact O-OG 3.1Å; V439-S441 VanDerWaalsContact C-N 3.33Å
442I90.7Very high89.4Confident4 Ų445.7 Ų45.72%0.02123%0.229CC..SBendtrans-95.8150.9-179.369.6171.4000112.7W313 Y407 Y438 M447 L450W313-I442 WeakPolarHBondContact CH2-O 3.43Å; Y407-I442 HydrophobicContact CD1-CB 4.05Å; Y407-I442 HydrophobicContact CD1-CG2 3.82Å; Y438-I442 HydrophobicContact CD2-CG2 4.19Å; Y438-I442 HydrophobicContact CE1-CD1 3.91Å; Y438-I442 HydrophobicContact CE1-CG2 4.17Å; Y438-I442 HydrophobicContact CE2-CG2 3.66Å; Y438-I442 PolarHBondContact O-N 3.35Å; I442-M447 HydrophobicContact CD1-CE 3.02Å; I442-M447 HydrophobicContact CG1-CE 3.48Å; I442-M447 VanDerWaalsContact CG1-CE 3.48Å; I442-L450 HydrophobicContact CD1-CD2 3.91Å
443P90.5Very high89.5Confident1 Ų144 Ų441%0.00622%0.217CC..  trans-60.8137.2-178.9-21.831000111.8W313 Y445 Y446W313-P443 HydrophobicContact CE3-CG 4.2Å; W313-P443 HydrophobicContact CH2-CG 4.5Å; W313-P443 HydrophobicContact CZ3-CB 4.31Å; W313-P443 HydrophobicContact CZ3-CG 3.85Å; P443-Y445 HydrophobicContact CB-CD1 3.93Å; P443-Y445 HydrophobicContact CB-CE1 3.36Å; P443-Y445 HydrophobicContact CB-CE2 4.09Å; P443-Y445 HydrophobicContact CB-CG 4.48Å; P443-Y445 VanDerWaalsContact CB-CZ 3.42Å; P443-Y445 HydrophobicContact CG-CE1 4.32Å; P443-Y445 PolarHBondContact O-N 2.72Å; P443-Y446 HydrophobicContact CB-CD2 4.01Å; P443-Y446 HydrophobicContact CB-CE2 4.5Å; P443-Y446 HydrophobicContact CG-CD2 4.02Å; P443-Y446 HydrophobicContact CG-CE2 4.19Å; P443-Y446 WeakPolarHBondContact O-CB 3.29Å; P443-Y446 PolarHBondContact O-N 3.15Å
444P89.4Confident89.2Confident27 Ų2738.7 Ų38.718%0.17519%0.19CC..G310 helixtrans-51.5-34.7-175.4-29.833.3000115.1Y446 M447 F470P444-Y446 PolarHBondContact O-N 2.88Å; P444-M447 WeakPolarHBondContact O-CB 3.38Å; P444-M447 WeakPolarHBondContact O-CG 3.35Å; P444-M447 PolarHBondContact O-N 2.93Å; P444-M447 VanDerWaalsContact O-N 3.11Å; P444-F470 HydrophobicContact CB-CB 4.07Å; P444-F470 HydrophobicContact CB-CD1 4.17Å; P444-F470 HydrophobicContact CB-CD2 3.82Å; P444-F470 HydrophobicContact CB-CE2 4.36Å; P444-F470 HydrophobicContact CB-CG 3.73Å; P444-F470 HydrophobicContact CG-CD2 4.25Å
445Y90.9Very high89Confident11 Ų1139.6 Ų39.64%0.04320%0.198CC..G310 helixtrans-69.4-13.8179.556.8-99.4000114.3G113 P307 P309 E310 P314 P443 M447 P449 F470G113-Y445 VanDerWaalsContact O-CD1 3.3Å; G113-Y445 WeakPolarHBondContact O-CD1 3.5Å; P307-Y445 HydrophobicContact CG-CD2 4.15Å; P307-Y445 HydrophobicContact CG-CE2 4.25Å; P309-Y445 WeakPolarHBondContact CA-OH 3.38Å; E310-Y445 HydrophobicContact CG-CE1 4.22Å; E310-Y445 PolarHBondContact N-OH 3.08Å; P314-Y445 HydrophobicContact CG-CD1 3.86Å; P314-Y445 HydrophobicContact CG-CE1 3.73Å; P443-Y445 HydrophobicContact CB-CD1 3.93Å; P443-Y445 HydrophobicContact CB-CE1 3.36Å; P443-Y445 HydrophobicContact CB-CE2 4.09Å; P443-Y445 HydrophobicContact CB-CG 4.48Å; P443-Y445 VanDerWaalsContact CB-CZ 3.42Å; P443-Y445 HydrophobicContact CG-CE1 4.32Å; P443-Y445 PolarHBondContact O-N 2.72Å; Y445-M447 VanDerWaalsContact C-N 3.26Å; Y445-P449 WeakPolarHBondContact O-CD 3.3Å; Y445-F470 HydrophobicContact CD1-CE2 4.36Å; Y445-F470 HydrophobicContact CD1-CZ 4.18Å; Y445-F470 HydrophobicContact CG-CZ 4.44Å
446Y91.7Very high88.5Confident1 Ų146.4 Ų46.40%0.00422%0.224CC..G310 helixtrans-75.7-13.9171.2-85-95.1000113W306 P307 P309 Y407 P443 P444 Q448 P449 L450W306-Y446 AromaticContact CE3-CD1 3.76Å; W306-Y446 HydrophobicContact CE3-CD1 3.76Å; W306-Y446 HydrophobicContact CE3-CE1 4.06Å; W306-Y446 HydrophobicContact CZ3-CD1 4.05Å; P307-Y446 HydrophobicContact CG-CD1 4.49Å; P307-Y446 HydrophobicContact CG-CE1 4.1Å; P307-Y446 HydrophobicContact CG-CE2 4.33Å; P307-Y446 PolarHBondContact O-OH 2.94Å; P309-Y446 HydrophobicContact CB-CE2 4.1Å; P309-Y446 WeakPolarHBondContact CD-OH 3.48Å; Y407-Y446 HydrophobicContact CD2-CE2 4.49Å; P443-Y446 HydrophobicContact CB-CD2 4.01Å; P443-Y446 HydrophobicContact CB-CE2 4.5Å; P443-Y446 HydrophobicContact CG-CD2 4.02Å; P443-Y446 HydrophobicContact CG-CE2 4.19Å; P443-Y446 WeakPolarHBondContact O-CB 3.29Å; P443-Y446 PolarHBondContact O-N 3.15Å; P444-Y446 PolarHBondContact O-N 2.88Å; Y446-Q448 PolarHBondContact O-N 3.08Å; Y446-P449 WeakPolarHBondContact O-CD 3.45Å; Y446-L450 WeakPolarHBondContact O-CB 3.44Å; Y446-L450 PolarHBondContact O-N 3.19Å
447M88.5Confident88.1Confident11 Ų1143 Ų435%0.05421%0.208CC..Hα-helixtrans-61.4-42.9-176.4-71.2-71.1102.500113.4V439 I442 P444 Y445 L450 K451 V463 V466V439-M447 HydrophobicContact CB-CE 4.48Å; V439-M447 HydrophobicContact CG1-CE 4Å; V439-M447 HydrophobicContact CG1-SD 3.63Å; V439-M447 HydrophobicContact CG2-CE 4.34Å; I442-M447 HydrophobicContact CD1-CE 3.02Å; I442-M447 HydrophobicContact CG1-CE 3.48Å; I442-M447 VanDerWaalsContact CG1-CE 3.48Å; P444-M447 WeakPolarHBondContact O-CB 3.38Å; P444-M447 WeakPolarHBondContact O-CG 3.35Å; P444-M447 PolarHBondContact O-N 2.93Å; P444-M447 VanDerWaalsContact O-N 3.11Å; Y445-M447 VanDerWaalsContact C-N 3.26Å; M447-L450 HydrophobicContact CE-CD2 3.71Å; M447-L450 PolarHBondContact O-N 2.81Å; M447-K451 WeakPolarHBondContact O-CB 3.01Å; M447-K451 PolarHBondContact O-N 2.83Å; M447-V463 HydrophobicContact SD-CG1 4.48Å; M447-V466 HydrophobicContact CB-CB 4.32Å; M447-V466 HydrophobicContact CB-CG2 4.19Å; M447-V466 HydrophobicContact CG-CB 4.25Å; M447-V466 HydrophobicContact CG-CG2 3.68Å; M447-V466 HydrophobicContact SD-CG2 4.17Å
448Q87.5Confident87.6Confident108 Ų10839.1 Ų39.151%0.50521%0.206SC..Hα-helixtrans-68-49.5-178.6-175.769.6-3.600111.9Y446 L450 K451 N452Y446-Q448 PolarHBondContact O-N 3.08Å; Q448-L450 VanDerWaalsContact C-N 3.28Å; Q448-L450 PolarHBondContact O-N 2.86Å; Q448-K451 PolarHBondContact O-N 2.57Å; Q448-N452 PolarHBondContact O-N 3.14Å; Q448-N452 VanDerWaalsContact O-N 3.15Å; Q448-N452 PolarHBondContact O-ND2 3.18Å
449P89.1Confident86.8Confident12 Ų1240.9 Ų40.98%0.07821%0.214CC..Hα-helixtrans-52.7-42.1167.2-31.737.7000114.2H305 W306 Y445 Y446 N452 A453H305-P449 WeakPolarHBondContact O-CB 3.18Å; W306-P449 HydrophobicContact CE3-CB 3.73Å; W306-P449 HydrophobicContact CH2-CB 4.2Å; W306-P449 HydrophobicContact CZ3-CB 3.57Å; Y445-P449 WeakPolarHBondContact O-CD 3.3Å; Y446-P449 WeakPolarHBondContact O-CD 3.45Å; P449-N452 PolarHBondContact O-N 3.02Å; P449-A453 WeakPolarHBondContact O-CB 3.45Å; P449-A453 PolarHBondContact O-N 2.95Å
450L89.7Confident86.1Confident0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-66.4-41.9-179.6-175.464.8000112.5W306 L412 Y438 I442 Y446 M447 Q448 N452 A453 M454W306-L450 HydrophobicContact CH2-CB 4.23Å; W306-L450 HydrophobicContact CH2-CD1 4.09Å; W306-L450 HydrophobicContact CZ3-CB 4.35Å; L412-L450 HydrophobicContact CD1-CD1 4.4Å; L412-L450 HydrophobicContact CD2-CD1 3.72Å; Y438-L450 HydrophobicContact CE1-CD2 4.16Å; I442-L450 HydrophobicContact CD1-CD2 3.91Å; Y446-L450 WeakPolarHBondContact O-CB 3.44Å; Y446-L450 PolarHBondContact O-N 3.19Å; M447-L450 HydrophobicContact CE-CD2 3.71Å; M447-L450 PolarHBondContact O-N 2.81Å; Q448-L450 VanDerWaalsContact C-N 3.28Å; Q448-L450 PolarHBondContact O-N 2.86Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.36Å; L450-A453 PolarHBondContact O-N 3.23Å; L450-M454 HydrophobicContact CD1-CG 4.14Å; L450-M454 HydrophobicContact CG-CG 4.28Å; L450-M454 WeakPolarHBondContact O-CB 3.44Å; L450-M454 VanDerWaalsContact O-CG 3.23Å; L450-M454 WeakPolarHBondContact O-CG 3.35Å; L450-M454 PolarHBondContact O-N 3.18Å
451K87.7Confident85.4Confident48 Ų4848.9 Ų48.921%0.20924%0.239CC..Hα-helixtrans-57.8-45.7173.5-171.7179.7-174.6175.70110.7M447 Q448 A453 M454 Q455 V460 V463 E465M447-K451 WeakPolarHBondContact O-CB 3.01Å; M447-K451 PolarHBondContact O-N 2.83Å; Q448-K451 PolarHBondContact O-N 2.57Å; K451-A453 PolarHBondContact O-N 3.31Å; K451-M454 PolarHBondContact O-N 2.9Å; K451-Q455 WeakPolarHBondContact O-CB 3.45Å; K451-Q455 PolarHBondContact O-N 3.16Å; K451-V460 HydrophobicContact CG-CG1 4.42Å; K451-V463 HydrophobicContact CB-CG1 4.32Å; K451-E465 IonicContact NZ-OE1 2.77Å; K451-E465 PolarHBondContact NZ-OE1 2.79Å
452N87Confident84.7Confident75 Ų7549.6 Ų49.640%0.40124%0.241SC..Hα-helixtrans-64.6-39178-66.1-20.3000112.4Q448 P449 L450 Q455Q448-N452 PolarHBondContact O-N 3.14Å; Q448-N452 VanDerWaalsContact O-N 3.15Å; Q448-N452 PolarHBondContact O-ND2 3.18Å; P449-N452 PolarHBondContact O-N 3.02Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.36Å; N452-Q455 WeakPolarHBondContact O-CB 3.19Å
453A87.3Confident84Confident2 Ų249.9 Ų49.92%0.01724%0.243CC..Hα-helixtrans-68.8-45.7176.200000111.9W306 F345 P346 P449 L450 K451 Q455 R456W306-A453 HydrophobicContact CH2-CB 3.89Å; W306-A453 HydrophobicContact CZ2-CB 3.57Å; F345-A453 HydrophobicContact CE1-CB 4.3Å; F345-A453 HydrophobicContact CE2-CB 4.05Å; F345-A453 HydrophobicContact CZ-CB 3.72Å; P346-A453 HydrophobicContact CG-CB 3.54Å; P449-A453 WeakPolarHBondContact O-CB 3.45Å; P449-A453 PolarHBondContact O-N 2.95Å; L450-A453 PolarHBondContact O-N 3.23Å; K451-A453 PolarHBondContact O-N 3.31Å; A453-Q455 PolarHBondContact O-N 2.93Å; A453-R456 PolarHBondContact O-N 3.38Å; A453-R456 VanDerWaalsContact O-N 3.1Å
454M85.7Confident83.2Confident0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-65.1-26.5177-68.5-68.6-87.300112.2I416 F435 L450 K451 I457 G458 F459 V463I416-M454 HydrophobicContact CD1-SD 3.97Å; I416-M454 HydrophobicContact CG1-SD 4.37Å; F435-M454 HydrophobicContact CE2-CE 4.25Å; F435-M454 HydrophobicContact CZ-CE 4.18Å; L450-M454 HydrophobicContact CD1-CG 4.14Å; L450-M454 HydrophobicContact CG-CG 4.28Å; L450-M454 WeakPolarHBondContact O-CB 3.44Å; L450-M454 VanDerWaalsContact O-CG 3.23Å; L450-M454 WeakPolarHBondContact O-CG 3.35Å; L450-M454 PolarHBondContact O-N 3.18Å; K451-M454 PolarHBondContact O-N 2.9Å; M454-I457 PolarHBondContact O-N 2.99Å; M454-I457 HydrophobicContact SD-CD1 4.28Å; M454-G458 PolarHBondContact O-N 3.47Å; M454-G458 VanDerWaalsContact O-N 3.09Å; M454-F459 HydrophobicContact CE-CB 4.17Å; M454-F459 PolarHBondContact O-N 3.02Å; M454-V463 HydrophobicContact CB-CG2 4Å; M454-V463 HydrophobicContact CG-CG2 3.9Å
455Q84.6Confident82.3Confident117 Ų11759.1 Ų59.155%0.54729%0.289SS..Hα-helixtrans-61.8-39.8171.2-174.7170.3-200113.1K451 N452 A453 I457 G458 V460K451-Q455 WeakPolarHBondContact O-CB 3.45Å; K451-Q455 PolarHBondContact O-N 3.16Å; N452-Q455 WeakPolarHBondContact O-CB 3.19Å; A453-Q455 PolarHBondContact O-N 2.93Å; Q455-I457 PolarHBondContact O-N 3.32Å; Q455-G458 PolarHBondContact O-N 3.34Å; Q455-G458 VanDerWaalsContact O-N 3.15Å; Q455-V460 HydrophobicContact CB-CG2 3.5Å; Q455-V460 HydrophobicContact CG-CG2 3.52Å
456R80.9Confident81.2Confident149 Ų14961.4 Ų61.456%0.56230%0.304SS*.Hα-helixtrans-67.1-29177.7-62.7-172.7-171.4169.88.4112.5H305 A453 G458H305-R456 PolarHBondContact CD2-NH2 3.37Å; H305-R456 VanDerWaalsContact CD2-NH2 3.34Å; H305-R456 PolarHBondContact NE2-NH1 3.14Å; H305-R456 PolarHBondContact NE2-NH2 3.37Å; A453-R456 PolarHBondContact O-N 3.38Å; A453-R456 VanDerWaalsContact O-N 3.1Å; R456-G458 VanDerWaalsContact C-N 3.34Å
457I81.3Confident80.1Confident27 Ų2765.7 Ų65.714%0.13833%0.331CS..Hα-helixtrans-86.2-10.6178-47.6168.2000111.3F345 I416 M454 Q455 F459F345-I457 HydrophobicContact CD2-CD1 3.46Å; F345-I457 VanDerWaalsContact CD2-CD1 3.46Å; F345-I457 HydrophobicContact CE2-CD1 3.94Å; F345-I457 HydrophobicContact CG-CD1 4.49Å; I416-I457 HydrophobicContact CD1-CD1 4.24Å; M454-I457 PolarHBondContact O-N 2.99Å; M454-I457 HydrophobicContact SD-CD1 4.28Å; Q455-I457 PolarHBondContact O-N 3.32Å; I457-F459 HydrophobicContact CB-CD2 4.31Å; I457-F459 HydrophobicContact CG2-CD2 3.77Å; I457-F459 HydrophobicContact CG2-CE2 3.95Å
458G78.3Confident79.1Confident60 Ų6072.2 Ų72.262%0.61936%0.362SS*.THydrogen-bonded Turntrans90.911.7177.300000115.6M454 Q455 R456M454-G458 PolarHBondContact O-N 3.47Å; M454-G458 VanDerWaalsContact O-N 3.09Å; Q455-G458 PolarHBondContact O-N 3.34Å; Q455-G458 VanDerWaalsContact O-N 3.15Å; R456-G458 VanDerWaalsContact C-N 3.34Å
459F77Confident78.4Confident43 Ų4372.4 Ų72.419%0.18937%0.366CS..  trans-113.334.9-174.8-65-66.7000114.3L419 M454 I457 R461 L462L419-F459 HydrophobicContact CD2-CD1 3.88Å; L419-F459 HydrophobicContact CD2-CD2 3.94Å; L419-F459 HydrophobicContact CD2-CE1 3.86Å; L419-F459 HydrophobicContact CD2-CE2 3.91Å; L419-F459 HydrophobicContact CD2-CG 3.93Å; L419-F459 HydrophobicContact CD2-CZ 3.88Å; L419-F459 HydrophobicContact CG-CE1 4.34Å; L419-F459 HydrophobicContact CG-CZ 4.2Å; M454-F459 HydrophobicContact CE-CB 4.17Å; M454-F459 PolarHBondContact O-N 3.02Å; I457-F459 HydrophobicContact CB-CD2 4.31Å; I457-F459 HydrophobicContact CG2-CD2 3.77Å; I457-F459 HydrophobicContact CG2-CE2 3.95Å; F459-R461 VanDerWaalsContact C-N 3.27Å; F459-R461 PolarHBondContact O-N 3.24Å; F459-L462 HydrophobicContact CB-CD1 3.98Å; F459-L462 HydrophobicContact CB-CG 4.42Å; F459-L462 HydrophobicContact CD1-CD1 4.05Å; F459-L462 HydrophobicContact CG-CD1 4.28Å; F459-L462 PolarHBondContact O-N 2.93Å
460V73.5Confident78.1Confident49 Ų4972.9 Ų72.930%0.29737%0.367SS..G310 helixtrans-52.7-42.5-176.5-173.70000113.3K451 Q455 L462 V463K451-V460 HydrophobicContact CG-CG1 4.42Å; Q455-V460 HydrophobicContact CB-CG2 3.5Å; Q455-V460 HydrophobicContact CG-CG2 3.52Å; V460-L462 PolarHBondContact O-N 3.47Å; V460-V463 PolarHBondContact O-N 3.06Å
461R72.9Confident78Confident249 Ų24973.4 Ų73.494%0.9437%0.37SS*.G310 helixtrans-67.6-8.4-170.6-63.7-174.1-179.8-168.70114.2F459F459-R461 VanDerWaalsContact C-N 3.27Å; F459-R461 PolarHBondContact O-N 3.24Å
462L74.7Confident78Confident48 Ų4873.1 Ų73.125%0.25137%0.371SS..G310 helixtrans-89.4-17.5-178.5-56.6-177000113L419 P427 W431 F435 F459 V460L419-L462 HydrophobicContact CD2-CD1 3.94Å; P427-L462 HydrophobicContact CG-CD1 4.46Å; P427-L462 HydrophobicContact CG-CD2 3.78Å; W431-L462 HydrophobicContact CH2-CD1 3.84Å; W431-L462 HydrophobicContact CZ3-CD1 3.89Å; F435-L462 WeakPolarHBondContact CE1-O 3.43Å; F459-L462 HydrophobicContact CB-CD1 3.98Å; F459-L462 HydrophobicContact CB-CG 4.42Å; F459-L462 HydrophobicContact CD1-CD1 4.05Å; F459-L462 HydrophobicContact CG-CD1 4.28Å; F459-L462 PolarHBondContact O-N 2.93Å; V460-L462 PolarHBondContact O-N 3.47Å
463V76.6Confident78.1Confident10 Ų1074.6 Ų74.66%0.06138%0.382CS..SBendtrans-90.5122.1-176.5-173.80000109.6F435 M447 K451 M454 V460F435-V463 HydrophobicContact CZ-CG2 4.29Å; M447-V463 HydrophobicContact SD-CG1 4.48Å; K451-V463 HydrophobicContact CB-CG1 4.32Å; M454-V463 HydrophobicContact CB-CG2 4Å; M454-V463 HydrophobicContact CG-CG2 3.9Å; V460-V463 PolarHBondContact O-N 3.06Å
464P72.7Confident78.2Confident63 Ų6376.9 Ų76.941%0.40940%0.398SS..  trans-58.2142.8175-2434.4000112.3V439 V466V439-P464 HydrophobicContact CG1-CG 4.35Å; P464-V466 PolarHBondContact O-N 2.83Å
465E70.2Confident78.4Confident159 Ų15977.1 Ų77.174%0.74340%0.4SS*.  trans-79.7108.1171.4-62.4-161.7147.100109.5K451K451-E465 IonicContact NZ-OE1 2.77Å; K451-E465 PolarHBondContact NZ-OE1 2.79Å
466V68.6Low78.6Confident58 Ų5873.6 Ų73.635%0.35239%0.385SS..  trans-87.5134.7173.2177.70000108.6M447 P464 E468M447-V466 HydrophobicContact CB-CB 4.32Å; M447-V466 HydrophobicContact CB-CG2 4.19Å; M447-V466 HydrophobicContact CG-CB 4.25Å; M447-V466 HydrophobicContact CG-CG2 3.68Å; M447-V466 HydrophobicContact SD-CG2 4.17Å; P464-V466 PolarHBondContact O-N 2.83Å; V466-E468 PolarHBondContact O-N 3.1Å
467P68.6Low79.2Confident91 Ų9170.2 Ų70.259%0.59138%0.38SS*.  trans-58135.8175.524.4-34.1000110N469P467-N469 PolarHBondContact O-N 3.46Å
468E66.7Low79.7Confident148 Ų14872.7 Ų72.769%0.69239%0.388SS*.SBendtrans-54.4-30.1179.5-63.1-175.9163.200112V466 F470V466-E468 PolarHBondContact O-N 3.1Å; E468-F470 PolarHBondContact O-N 3.25Å
469N73.6Confident80.3Confident112 Ų11271.5 Ų71.560%0.59937%0.368SS*.  trans-98.471.7179.4-66.7-32.5000111.9P467 L476P467-N469 PolarHBondContact O-N 3.46Å; N469-L476 HydrophobicContact CB-CD1 3.73Å
470F83.2Confident81Confident22 Ų2273.2 Ų73.210%0.09639%0.385CS..  trans-82.2-13.9174.961.1-90.3000113.5G113 H114 P314 P444 Y445 E468G113-F470 WeakPolarHBondContact O-CZ 3.42Å; H114-F470 AromaticContact CD2-CE1 3.62Å; H114-F470 AromaticContact CD2-CZ 3.66Å; H114-F470 AromaticContact NE2-CE1 3.53Å; H114-F470 AromaticContact NE2-CZ 3.68Å; P314-F470 HydrophobicContact CB-CD2 4.39Å; P314-F470 HydrophobicContact CB-CE2 3.93Å; P314-F470 HydrophobicContact CG-CE2 4.12Å; P444-F470 HydrophobicContact CB-CB 4.07Å; P444-F470 HydrophobicContact CB-CD1 4.17Å; P444-F470 HydrophobicContact CB-CD2 3.82Å; P444-F470 HydrophobicContact CB-CE2 4.36Å; P444-F470 HydrophobicContact CB-CG 3.73Å; P444-F470 HydrophobicContact CG-CD2 4.25Å; Y445-F470 HydrophobicContact CD1-CE2 4.36Å; Y445-F470 HydrophobicContact CD1-CZ 4.18Å; Y445-F470 HydrophobicContact CG-CZ 4.44Å; E468-F470 PolarHBondContact O-N 3.25Å
471L86.2Confident81.9Confident11 Ų1175.1 Ų75.16%0.05839%0.393CS..SBendtrans-78.8157.1174.7-61.9177.9000111.2P314 L321 V475 L476P314-L471 HydrophobicContact CB-CD2 3.94Å; L321-L471 HydrophobicContact CD2-CD2 4.37Å; L471-V475 HydrophobicContact CD1-CG1 4.34Å; L471-L476 HydrophobicContact CB-CD2 4.13Å; L471-L476 HydrophobicContact CB-CG 4.2Å; L471-L476 HydrophobicContact CD1-CD2 4.28Å
472N87.8Confident82.9Confident42 Ų4263.5 Ų63.523%0.22535%0.35CS..  trans-59.3140.8174.8-166.6-49.5000111.2P316 M318 S474 V475 L476P316-N472 WeakPolarHBondContact O-CB 3.47Å; P316-N472 PolarHBondContact O-ND2 2.97Å; M318-N472 WeakPolarHBondContact O-CB 3.43Å; N472-S474 PolarHBondContact O-N 2.91Å; N472-S474 PolarHBondContact OD1-N 3.4Å; N472-S474 PolarHBondContact OD1-OG 3.36Å; N472-V475 HydrophobicContact CB-CG2 4.24Å; N472-V475 WeakPolarHBondContact O-CB 3.08Å; N472-V475 PolarHBondContact O-N 3.44Å; N472-L476 PolarHBondContact O-N 3.22Å; N472-L476 VanDerWaalsContact O-N 3.1Å
473V89.3Confident83.7Confident106 Ų10666.2 Ų66.264%0.64236%0.36SS*.Hα-helixtrans-54.5-37.1178-179.20000111.8V475 L476 V477V473-V475 VanDerWaalsContact C-N 3.31Å; V473-V475 PolarHBondContact O-N 3.01Å; V473-L476 PolarHBondContact O-N 3.19Å; V473-V477 HydrophobicContact CG1-CG2 4.29Å; V473-V477 WeakPolarHBondContact O-CG2 3.25Å; V473-V477 PolarHBondContact O-N 3.15Å
474S90.7Very high84.5Confident51 Ų5167.4 Ų67.436%0.35737%0.374SS..Hα-helixtrans-61.4-40.1177.564.90000112.4T319 N472 Y478T319-S474 WeakPolarHBondContact CA-OG 3.47Å; T319-S474 PolarHBondContact O-OG 3Å; N472-S474 PolarHBondContact O-N 2.91Å; N472-S474 PolarHBondContact OD1-N 3.4Å; N472-S474 PolarHBondContact OD1-OG 3.36Å; S474-Y478 WeakPolarHBondContact O-CB 3.35Å; S474-Y478 PolarHBondContact O-N 3.1Å
475V89.7Confident85.5Confident5 Ų570.6 Ų70.63%0.0338%0.378CS..Hα-helixtrans-67.6-44.9177.4173.80000110.3M318 T319 L321 L471 N472 V473 V477 Y478 L479M318-V475 WeakPolarHBondContact O-CG2 3.5Å; T319-V475 WeakPolarHBondContact O-CG2 3.2Å; L321-V475 HydrophobicContact CD1-CG1 3.59Å; L321-V475 HydrophobicContact CD2-CG1 4.13Å; L321-V475 HydrophobicContact CG-CG1 3.57Å; L321-V475 HydrophobicContact CG-CG2 4.41Å; L471-V475 HydrophobicContact CD1-CG1 4.34Å; N472-V475 HydrophobicContact CB-CG2 4.24Å; N472-V475 WeakPolarHBondContact O-CB 3.08Å; N472-V475 PolarHBondContact O-N 3.44Å; V473-V475 VanDerWaalsContact C-N 3.31Å; V473-V475 PolarHBondContact O-N 3.01Å; V475-V477 PolarHBondContact O-N 3.32Å; V475-Y478 WeakPolarHBondContact O-CB 3.48Å; V475-Y478 PolarHBondContact O-N 3.37Å; V475-L479 HydrophobicContact CG1-CD1 4.01Å; V475-L479 HydrophobicContact CG1-CG 4.31Å; V475-L479 WeakPolarHBondContact O-CG 3.36Å; V475-L479 PolarHBondContact O-N 2.98Å
476L89.2Confident86.6Confident43 Ų4363.2 Ų63.223%0.22534%0.344CS..Hα-helixtrans-62.2-43179.4-66.8174000112N469 L471 N472 V473 L479 S480N469-L476 HydrophobicContact CB-CD1 3.73Å; L471-L476 HydrophobicContact CB-CD2 4.13Å; L471-L476 HydrophobicContact CB-CG 4.2Å; L471-L476 HydrophobicContact CD1-CD2 4.28Å; N472-L476 PolarHBondContact O-N 3.22Å; N472-L476 VanDerWaalsContact O-N 3.1Å; V473-L476 PolarHBondContact O-N 3.19Å; L476-L479 PolarHBondContact O-N 2.86Å; L476-S480 WeakPolarHBondContact O-CB 3.41Å; L476-S480 PolarHBondContact O-N 3.3Å
477V92.3Very high87.7Confident77 Ų7766.3 Ų66.347%0.46735%0.353SS..Hα-helixtrans-63-43.3174.4172.40000110.7V473 V475 S480 N481V473-V477 HydrophobicContact CG1-CG2 4.29Å; V473-V477 WeakPolarHBondContact O-CG2 3.25Å; V473-V477 PolarHBondContact O-N 3.15Å; V475-V477 PolarHBondContact O-N 3.32Å; V477-S480 PolarHBondContact O-N 3.44Å; V477-N481 VanDerWaalsContact O-CG 3.24Å; V477-N481 PolarHBondContact O-N 3.16Å
478Y92.3Very high88.9Confident80 Ų8067.5 Ų67.531%0.31435%0.35SS..Hα-helixtrans-59.3-49.9177-176.7-106.8000112.2M153 E156 L157 S474 V475 S480 N481 V482M153-Y478 HydrophobicContact CG-CE2 4.48Å; E156-Y478 VanDerWaalsContact CD-OH 3.23Å; E156-Y478 WeakPolarHBondContact OE1-CE1 3.18Å; E156-Y478 VanDerWaalsContact OE1-CZ 3.28Å; E156-Y478 PolarHBondContact OE1-OH 3.41Å; L157-Y478 HydrophobicContact CD1-CE1 4.5Å; L157-Y478 HydrophobicContact CD2-CE1 4.34Å; S474-Y478 WeakPolarHBondContact O-CB 3.35Å; S474-Y478 PolarHBondContact O-N 3.1Å; V475-Y478 WeakPolarHBondContact O-CB 3.48Å; V475-Y478 PolarHBondContact O-N 3.37Å; Y478-S480 VanDerWaalsContact C-N 3.31Å; Y478-S480 PolarHBondContact O-N 3.42Å; Y478-N481 WeakPolarHBondContact O-CB 3.47Å; Y478-N481 PolarHBondContact O-N 2.73Å; Y478-N481 VanDerWaalsContact O-N 3.14Å; Y478-V482 HydrophobicContact CD1-CG2 4.16Å; Y478-V482 HydrophobicContact CE1-CG2 3.72Å; Y478-V482 HydrophobicContact CE2-CG2 4.25Å; Y478-V482 WeakPolarHBondContact O-CG2 3.43Å; Y478-V482 PolarHBondContact O-N 3.37Å
479L90.9Very high90.1Very high35 Ų3562.3 Ų62.318%0.18333%0.326CS..Hα-helixtrans-62.1-38178.5-66.9176.5000112.2F112 L157 L321 V475 L476 V482 K483F112-L479 HydrophobicContact CB-CD1 4.17Å; F112-L479 HydrophobicContact CB-CD2 3.87Å; F112-L479 HydrophobicContact CD2-CD2 3.97Å; F112-L479 HydrophobicContact CG-CD2 4.25Å; L157-L479 HydrophobicContact CD1-CD2 3.81Å; L321-L479 HydrophobicContact CD1-CD1 4.26Å; V475-L479 HydrophobicContact CG1-CD1 4.01Å; V475-L479 HydrophobicContact CG1-CG 4.31Å; V475-L479 WeakPolarHBondContact O-CG 3.36Å; V475-L479 PolarHBondContact O-N 2.98Å; L476-L479 PolarHBondContact O-N 2.86Å; L479-V482 PolarHBondContact O-N 3.23Å; L479-K483 PolarHBondContact O-N 3.09Å
480S91.2Very high90.9Very high78 Ų7858.2 Ų58.255%0.54530%0.303SS..Hα-helixtrans-63.8-42.2173.8-173.30000112L476 V477 Y478 K483 G484L476-S480 WeakPolarHBondContact O-CB 3.41Å; L476-S480 PolarHBondContact O-N 3.3Å; V477-S480 PolarHBondContact O-N 3.44Å; Y478-S480 VanDerWaalsContact C-N 3.31Å; Y478-S480 PolarHBondContact O-N 3.42Å; S480-K483 PolarHBondContact O-N 2.89Å; S480-G484 PolarHBondContact O-N 3.5Å
481N93.5Very high91.4Very high90 Ų9062.1 Ų62.148%0.48132%0.322SS..Hα-helixtrans-65.5-40.3176.8-70-14000111.7M153 V477 Y478 K483 G484 R485M153-N481 HydrophobicContact CE-CB 4.06Å; M153-N481 VanDerWaalsContact CE-O 3.22Å; M153-N481 WeakPolarHBondContact CE-O 3.39Å; V477-N481 VanDerWaalsContact O-CG 3.24Å; V477-N481 PolarHBondContact O-N 3.16Å; Y478-N481 WeakPolarHBondContact O-CB 3.47Å; Y478-N481 PolarHBondContact O-N 2.73Å; Y478-N481 VanDerWaalsContact O-N 3.14Å; N481-K483 VanDerWaalsContact C-N 3.34Å; N481-K483 PolarHBondContact O-N 3.16Å; N481-G484 PolarHBondContact O-N 2.88Å; N481-R485 WeakPolarHBondContact O-CB 3.32Å; N481-R485 PolarHBondContact O-N 2.7Å
482V92.1Very high91.6Very high4 Ų467.8 Ų67.82%0.02435%0.348CS..Hα-helixtrans-57.5-48174.1169.40000110.3L105 M153 Y478 L479 G484 R485 A486L105-V482 HydrophobicContact CD1-CG1 4.4Å; L105-V482 HydrophobicContact CD2-CG1 4.02Å; M153-V482 VanDerWaalsContact CE-CA 3.45Å; M153-V482 HydrophobicContact CE-CB 4.35Å; M153-V482 HydrophobicContact CE-CG2 4Å; M153-V482 HydrophobicContact CG-CG2 4.1Å; Y478-V482 HydrophobicContact CD1-CG2 4.16Å; Y478-V482 HydrophobicContact CE1-CG2 3.72Å; Y478-V482 HydrophobicContact CE2-CG2 4.25Å; Y478-V482 WeakPolarHBondContact O-CG2 3.43Å; Y478-V482 PolarHBondContact O-N 3.37Å; L479-V482 PolarHBondContact O-N 3.23Å; V482-G484 PolarHBondContact O-N 3.25Å; V482-R485 PolarHBondContact O-N 2.83Å; V482-A486 VanDerWaalsContact O-CB 3.26Å; V482-A486 WeakPolarHBondContact O-CB 3.46Å; V482-A486 PolarHBondContact O-N 3.18Å
483K93.2Very high91.5Very high106 Ų10667 Ų6746%0.46134%0.343SS..Hα-helixtrans-60.9-43177.1-174.3177.3-177.5178.40112.4Q106 L479 S480 N481 K487Q106-K483 WeakPolarHBondContact O-CE 3.32Å; L479-K483 PolarHBondContact O-N 3.09Å; S480-K483 PolarHBondContact O-N 2.89Å; N481-K483 VanDerWaalsContact C-N 3.34Å; N481-K483 PolarHBondContact O-N 3.16Å; K483-K487 PolarHBondContact O-N 3.19Å; K483-K487 VanDerWaalsContact O-N 3.14Å
484G93.2Very high91.5Very high35 Ų3562.4 Ų62.436%0.36132%0.316SS..Hα-helixtrans-61.3-50.3177.400000112.4S480 N481 V482 K487 E488S480-G484 PolarHBondContact O-N 3.5Å; N481-G484 PolarHBondContact O-N 2.88Å; V482-G484 PolarHBondContact O-N 3.25Å; G484-K487 WeakPolarHBondContact O-CB 3.46Å; G484-K487 PolarHBondContact O-N 3.17Å; G484-E488 PolarHBondContact O-N 3.04Å
485R93.1Very high91.3Very high129 Ų12963.2 Ų63.249%0.48733%0.326SS..Hα-helixtrans-66.6-39.4179.8-167.9167.5-179.8116-2.9112.7M153 N481 V482 K487 E488 E489M153-R485 HydrophobicContact CE-CB 3.64Å; M153-R485 HydrophobicContact CE-CG 4.31Å; N481-R485 WeakPolarHBondContact O-CB 3.32Å; N481-R485 PolarHBondContact O-N 2.7Å; V482-R485 PolarHBondContact O-N 2.83Å; R485-K487 PolarHBondContact O-N 3.41Å; R485-E488 PolarHBondContact O-N 3.32Å; R485-E488 VanDerWaalsContact O-N 3.13Å; R485-E489 IonicContact NE-OE1 3.9Å; R485-E489 PolarHBondContact NE-OE1 3.05Å; R485-E489 PolarHBondContact O-N 2.67Å
486A92.4Very high91Very high5 Ų564.1 Ų64.14%0.04133%0.332CS..Hα-helixtrans-60.3-35.5174.300000112.1I102 L105 Q106 V482 F490I102-A486 WeakPolarHBondContact CG2-O 3.23Å; L105-A486 HydrophobicContact CB-CB 3.56Å; Q106-A486 HydrophobicContact CB-CB 4.38Å; V482-A486 VanDerWaalsContact O-CB 3.26Å; V482-A486 WeakPolarHBondContact O-CB 3.46Å; V482-A486 PolarHBondContact O-N 3.18Å; A486-F490 WeakPolarHBondContact O-CB 3.48Å; A486-F490 PolarHBondContact O-N 2.91Å
487K93.3Very high90.6Very high123 Ų12363.2 Ų63.254%0.53533%0.329SS..Hα-helixtrans-66.2-36.7175.6-173.5-178.5179.7-178.70112.3Q106 K483 G484 R485 Q491Q106-K487 HydrophobicContact CB-CB 4.29Å; K483-K487 PolarHBondContact O-N 3.19Å; K483-K487 VanDerWaalsContact O-N 3.14Å; G484-K487 WeakPolarHBondContact O-CB 3.46Å; G484-K487 PolarHBondContact O-N 3.17Å; R485-K487 PolarHBondContact O-N 3.41Å; K487-Q491 VanDerWaalsContact O-CG 3.29Å; K487-Q491 WeakPolarHBondContact O-CG 3.16Å; K487-Q491 PolarHBondContact O-N 3.04Å; K487-Q491 PolarHBondContact O-NE2 2.76Å
488E93.4Very high89.5Confident115 Ų11562.1 Ų62.154%0.53733%0.333SS..Hα-helixtrans-70.2-49.5175.6-66.9172.4-176.600111.1G484 R485 F490 Q491 Q492G484-E488 PolarHBondContact O-N 3.04Å; R485-E488 PolarHBondContact O-N 3.32Å; R485-E488 VanDerWaalsContact O-N 3.13Å; E488-F490 VanDerWaalsContact C-N 3.31Å; E488-F490 PolarHBondContact O-N 3.01Å; E488-Q491 PolarHBondContact O-N 3.14Å; E488-Q491 VanDerWaalsContact O-N 3.15Å; E488-Q492 WeakPolarHBondContact O-CG 3.16Å; E488-Q492 PolarHBondContact O-N 2.96Å
489E91Very high88.2Confident39 Ų3963.9 Ų63.918%0.18234%0.344CS..Hα-helixtrans-60.2-39.9177.5-72.3179.7-169.200111.5R485 Q491 Q492 L493R485-E489 IonicContact NE-OE1 3.9Å; R485-E489 PolarHBondContact NE-OE1 3.05Å; R485-E489 PolarHBondContact O-N 2.67Å; E489-Q491 VanDerWaalsContact C-N 3.34Å; E489-Q491 PolarHBondContact O-N 3.46Å; E489-Q492 PolarHBondContact O-N 2.75Å; E489-L493 WeakPolarHBondContact O-CB 3.42Å; E489-L493 PolarHBondContact O-N 2.71Å
490F91.5Very high86.5Confident27 Ų2767.7 Ų67.712%0.11836%0.364CS..Hα-helixtrans-59-44.3175-177.2-101.8000112.5W67 I102 N103 Q106 A486 E488 C494W67-F490 HydrophobicContact CB-CE2 4.15Å; W67-F490 HydrophobicContact CB-CZ 3.85Å; W67-F490 AromaticContact CD1-CE2 3.45Å; W67-F490 VanDerWaalsContact CD1-CE2 3.45Å; W67-F490 AromaticContact CD2-CE2 3.92Å; W67-F490 HydrophobicContact CD2-CE2 3.92Å; W67-F490 HydrophobicContact CD2-CZ 4.24Å; W67-F490 AromaticContact CG-CE2 3.58Å; W67-F490 HydrophobicContact CG-CE2 3.58Å; W67-F490 AromaticContact CG-CZ 3.77Å; W67-F490 HydrophobicContact CG-CZ 3.77Å; W67-F490 AromaticContact NE1-CE2 3.72Å; I102-F490 HydrophobicContact CG2-CB 3.62Å; I102-F490 HydrophobicContact CG2-CD2 4.11Å; I102-F490 HydrophobicContact CG2-CG 4.38Å; N103-F490 HydrophobicContact CB-CD2 4.38Å; N103-F490 HydrophobicContact CB-CE2 4.06Å; N103-F490 WeakPolarHBondContact OD1-CE2 3.47Å; Q106-F490 VanDerWaalsContact CD-CG 3.42Å; Q106-F490 VanDerWaalsContact OE1-CG 3.32Å; A486-F490 WeakPolarHBondContact O-CB 3.48Å; A486-F490 PolarHBondContact O-N 2.91Å; E488-F490 VanDerWaalsContact C-N 3.31Å; E488-F490 PolarHBondContact O-N 3.01Å; F490-C494 WeakPolarHBondContact O-CB 3.21Å; F490-C494 PolarHBondContact O-N 2.79Å; F490-C494 PolarHBondContact O-SG 2.86Å
491Q92Very high84.3Confident103 Ų10366.1 Ų66.148%0.48136%0.361SS..Hα-helixtrans-67.5-40.7-179.6-73.2171.833.700111.4K487 E488 E489 C494 A495K487-Q491 VanDerWaalsContact O-CG 3.29Å; K487-Q491 WeakPolarHBondContact O-CG 3.16Å; K487-Q491 PolarHBondContact O-N 3.04Å; K487-Q491 PolarHBondContact O-NE2 2.76Å; E488-Q491 PolarHBondContact O-N 3.14Å; E488-Q491 VanDerWaalsContact O-N 3.15Å; E489-Q491 VanDerWaalsContact C-N 3.34Å; E489-Q491 PolarHBondContact O-N 3.46Å; Q491-C494 PolarHBondContact O-N 2.76Å; Q491-A495 WeakPolarHBondContact O-CB 3.29Å; Q491-A495 PolarHBondContact O-N 3.25Å; Q491-A495 VanDerWaalsContact O-N 3.1Å
492Q90.7Very high81.9Confident131 Ų13170.8 Ų70.861%0.61238%0.376SS*.Hα-helixtrans-61.7-48.7175.9-70.3174.315.300111.1E488 E489 C494 A495 S496E488-Q492 WeakPolarHBondContact O-CG 3.16Å; E488-Q492 PolarHBondContact O-N 2.96Å; E489-Q492 PolarHBondContact O-N 2.75Å; Q492-C494 VanDerWaalsContact C-N 3.33Å; Q492-C494 PolarHBondContact O-N 3.15Å; Q492-A495 WeakPolarHBondContact O-CB 3.5Å; Q492-A495 PolarHBondContact O-N 2.86Å; Q492-S496 PolarHBondContact O-N 2.8Å
493L86.8Confident79.5Confident24 Ų2478.7 Ų78.713%0.12641%0.413CS..Hα-helixtrans-62.4-41.8179.4-169.6152.2000111.5L99 I102 E489 A495 S496 V497L99-L493 HydrophobicContact CD1-CD1 3.85Å; L99-L493 HydrophobicContact CD1-CD2 3.15Å; L99-L493 HydrophobicContact CD1-CG 4.15Å; I102-L493 HydrophobicContact CD1-CD1 4.25Å; E489-L493 WeakPolarHBondContact O-CB 3.42Å; E489-L493 PolarHBondContact O-N 2.71Å; L493-A495 PolarHBondContact O-N 2.96Å; L493-S496 PolarHBondContact O-N 3.33Å; L493-S496 PolarHBondContact O-OG 2.88Å; L493-V497 WeakPolarHBondContact O-CG2 3.41Å
494C88.2Confident76.7Confident11 Ų1177.5 Ų77.57%0.07442%0.415CS..Hα-helixtrans-65.1-21.9175.1-690000113.5K68 F490 Q491 Q492K68-C494 HydrophobicContact CD-CB 4.03Å; K68-C494 HydrophobicContact CG-CB 4.49Å; F490-C494 WeakPolarHBondContact O-CB 3.21Å; F490-C494 PolarHBondContact O-N 2.79Å; F490-C494 PolarHBondContact O-SG 2.86Å; Q491-C494 PolarHBondContact O-N 2.76Å; Q492-C494 VanDerWaalsContact C-N 3.33Å; Q492-C494 PolarHBondContact O-N 3.15Å
495A86.8Confident74.1Confident67 Ų6784 Ų8455%0.55444%0.441SS*.Hα-helixtrans-89.7-20.6179.100000112.8Q491 Q492 L493Q491-A495 WeakPolarHBondContact O-CB 3.29Å; Q491-A495 PolarHBondContact O-N 3.25Å; Q491-A495 VanDerWaalsContact O-N 3.1Å; Q492-A495 WeakPolarHBondContact O-CB 3.5Å; Q492-A495 PolarHBondContact O-N 2.86Å; L493-A495 PolarHBondContact O-N 2.96Å
496S84.9Confident71.5Confident24 Ų2486.5 Ų86.517%0.16846%0.458CS..Hα-helixtrans-84.9-13.9178.962.60000113.9Q492 L493 G498 Q499Q492-S496 PolarHBondContact O-N 2.8Å; L493-S496 PolarHBondContact O-N 3.33Å; L493-S496 PolarHBondContact O-OG 2.88Å; S496-G498 PolarHBondContact O-N 3.2Å; S496-Q499 PolarHBondContact O-N 2.93Å
497V79.5Confident68.7Low25 Ų2590.4 Ų90.415%0.15249%0.485CS..THydrogen-bonded Turntrans-62.6128.1176-174.40000109.6V63 K64 E69 L493V63-V497 HydrophobicContact CB-CG2 4.37Å; V63-V497 HydrophobicContact CG1-CG2 3.8Å; K64-V497 WeakPolarHBondContact O-CG1 3.38Å; E69-V497 HydrophobicContact CG-CG1 4.16Å; L493-V497 WeakPolarHBondContact O-CG2 3.41Å
498G68.7Low65.8Low53 Ų5390.2 Ų90.255%0.54649%0.49SS..THydrogen-bonded Turntrans87.41.6-18000000115.6S496 N500S496-G498 PolarHBondContact O-N 3.2Å; G498-N500 VanDerWaalsContact C-N 3.3Å; G498-N500 PolarHBondContact O-N 3.29Å
499Q66.3Low63.1Low118 Ų11892.9 Ų92.955%0.55151%0.506SS*.  trans-7586.5167.8-65.2-175.13.800109.2H61 S496 G501H61-Q499 PolarHBondContact CE1-O 3.47Å; H61-Q499 PolarHBondContact ND1-O 3.37Å; S496-Q499 PolarHBondContact O-N 2.93Å; Q499-G501 PolarHBondContact O-N 3.46Å
500N53.8Low60.3Low115 Ų11599.4 Ų99.462%0.61553%0.534SS*.  trans-67.1126.5172.9-71.8-19.6000109G498 K502G498-N500 VanDerWaalsContact C-N 3.3Å; G498-N500 PolarHBondContact O-N 3.29Å; N500-K502 VanDerWaalsContact C-N 3.27Å; N500-K502 PolarHBondContact O-N 3.26Å
501G45.9Very low57.3Low45 Ų45105.2 Ų105.246%0.46457%0.566SS.*  trans-63.463.8-164.300000117Q499 E503Q499-G501 PolarHBondContact O-N 3.46Å; G501-E503 PolarHBondContact O-N 2.78Å
502K43.3Very low54.8Low187 Ų187108 Ų10881%0.81358%0.582SS**THydrogen-bonded Turntrans-64.2-13.6170.2-74.2-171.1173.9-172.70113.2N500N500-K502 VanDerWaalsContact C-N 3.27Å; N500-K502 PolarHBondContact O-N 3.26Å
503E40.7Very low52Low171 Ų171110.5 Ų110.580%0.79959%0.594SS**THydrogen-bonded Turntrans-107.4-8.2-171.8-64.6-175.2168.400115.2G501G501-E503 PolarHBondContact O-N 2.78Å
504T35.9Very low49.6Very low81 Ų81113.3 Ų113.350%0.49762%0.621SS.*THydrogen-bonded Turntrans-93.12.6-168.4-17.70000115.7
505L38.3Very low47.2Very low172 Ų172118.9 Ų118.990%0.90166%0.657SS**THydrogen-bonded Turntrans-89.5-2.8174.2-104.7148.8000113.5
506E37.5Very low44.6Very low180 Ų180121.5 Ų121.584%0.84167%0.671SS**SBendtrans-102.9-1.4-169.7-63.2-167.7160.800116
507S33.9Very low42.3Very low87 Ų87128.3 Ų128.361%0.60871%0.705SS**SBendtrans-141.215.1-171.472.50000119.2
508N31.9Very low40.2Very low120 Ų120132.9 Ų132.964%0.64274%0.735SS**  trans-12954.7177.5-71.3-36.7000113.4F510N508-F510 VanDerWaalsContact C-N 3.27Å; N508-F510 PolarHBondContact O-N 2.8Å
509I36.6Very low38.5Very low170 Ų170135 Ų13587%0.87275%0.748SS**  trans-87.876.8155.4-54.9176.2000106.6
510F33.8Very low37.2Very low176 Ų176138.9 Ų138.977%0.77277%0.766SS**  trans-89.5118.8163-93.1-81.9000108.3N508 I512N508-F510 VanDerWaalsContact C-N 3.27Å; N508-F510 PolarHBondContact O-N 2.8Å; F510-I512 PolarHBondContact O-N 2.77Å; F510-I512 VanDerWaalsContact O-N 3.08Å
511N28.7Very low36.2Very low150 Ų150142.5 Ų142.580%0.80278%0.776SS**  trans-37.2107.9172.4-72.3-23.8000112.7
512I38.4Very low35.8Very low160 Ų160149.9 Ų149.982%0.82180%0.798SS**  trans-97.694.9156.9-59.9177.4000106.1F510 A514F510-I512 PolarHBondContact O-N 2.77Å; F510-I512 VanDerWaalsContact O-N 3.08Å; I512-A514 PolarHBondContact O-N 3.32Å
513E31.7Very low35.5Very low184 Ų184147.3 Ų147.386%0.8679%0.794SS**  trans-63.499.7160.5-75.1178.5158.300107.8
514A36.7Very low35.4Very low83 Ų83145.7 Ų145.769%0.68679%0.79SS**PPolyproline II helixtrans-71.1135.6167.400000109.3I512 S516I512-A514 PolarHBondContact O-N 3.32Å; A514-S516 PolarHBondContact O-N 2.96Å
515P37Very low35.7Very low128 Ų128147.9 Ų147.983%0.83180%0.799SS**PPolyproline II helixtrans-68.5127.1-174.1-11.625.8000111.6L517P515-L517 PolarHBondContact O-N 3.37Å
516S32.4Very low35.8Very low122 Ų122148.3 Ų148.385%0.85380%0.796SS**PPolyproline II helixtrans-65.5117.9173.654.60000111.9A514A514-S516 PolarHBondContact O-N 2.96Å
517L37.1Very low35.7Very low167 Ų167144.9 Ų144.987%0.87480%0.799SS**PPolyproline II helixtrans-89.7143.9159.6-77.7166.5000109.7P515P515-L517 PolarHBondContact O-N 3.37Å
518P35.9Very low35.8Very low122 Ų122146 Ų14679%0.79281%0.807SS**PPolyproline II helixtrans-81.4130.3-168.314.8-1.3000112.1
519A32.8Very low36Very low98 Ų98147.5 Ų147.581%0.8182%0.82SS**PPolyproline II helixtrans-78.3122.7173.100000111.3
520E38.2Very low35.8Very low198 Ų198145.1 Ų145.193%0.92582%0.818SS**PPolyproline II helixtrans-85.3139162.5-72.5-163.2150.600110.6
521K33Very low35.9Very low191 Ų191141.5 Ų141.583%0.8382%0.821SS**PPolyproline II helixtrans-79.1139.1-171.4-60.2166174.3176.20111.2
522E38.3Very low36.3Very low200 Ų200142.7 Ų142.794%0.93583%0.826SS**  trans-144.9142.4138.5-89.7-170.1169.700110.4
523N36.6Very low36Very low134 Ų134143.6 Ų143.672%0.71783%0.827SS**  trans-89.6168.4-158.8-66.6-35.7000114.9
524D39.5Very low36.3Very low136 Ų136143.2 Ų143.273%0.72783%0.83SS**  trans70.7129.4147.2-60.9-25000116.4
525D41.1Very low36.3Very low127 Ų127144.9 Ų144.968%0.67983%0.832SS**  cis-158.7136.332.6-91.7-50.5000112.4
526Q39.9Very low36.4Very low181 Ų181145.6 Ų145.685%0.84683%0.829SS**  trans32116.6136.2-57.4173.538.700121.2
527A37.1Very low36.8Very low108 Ų108147.2 Ų147.289%0.89383%0.828SS**  -171.3129.6117.600000112.3
528S35.1Very low37.1Very low111 Ų111148.2 Ų148.278%0.77683%0.828SS**  trans-69.3140.9-17353.50000116.5
529V35.8Very low37.2Very low151 Ų151150.1 Ų150.192%0.91583%0.831SS**  trans-145.2126.9138.3-151.30000110
530S33.6Very low37.7Very low120 Ų120153.1 Ų153.184%0.83983%0.834SS**  trans-69.7130-170.6-42.70000114.1
531A35.1Very low37.7Very low100 Ų100150.8 Ų150.883%0.82683%0.827SS**  trans-111.6124.3160.300000108.8
532L38.1Very low37.9Very low175 Ų175148.3 Ų148.392%0.91683%0.828SS**  trans-72130.1-179.6-83.2149.5000110.8
533E30.5Very low37.9Very low180 Ų180145.4 Ų145.484%0.84182%0.818SS**  trans-66.2129165.6-65.6172146.400110.7
534L38.8Very low38.1Very low175 Ų175143 Ų14392%0.91681%0.811SS**  trans-135123.9149.6-82.2173.5000108.5
535T37.3Very low38Very low118 Ų118144 Ų14472%0.72482%0.816SS**  trans-76.4152.9-170.546.40000114.5
536D37.7Very low37.6Very low144 Ų144145.1 Ų145.177%0.7782%0.822SS**  trans44.4109.2146.8-77.4-11000119
537D40.5Very low37.3Very low156 Ų156141.3 Ų141.383%0.83482%0.815SS**  163.5137.1115.7-81-35.5000109.5
538Q43.9Very low37.2Very low187 Ų187143.7 Ų143.787%0.87481%0.813SS**  trans100.786.1170.4-53.8-172.7-12.800116.9D540Q538-D540 PolarHBondContact O-N 3.24Å
539D39.2Very low37.2Very low162 Ų162145.5 Ų145.587%0.86681%0.814SS**  trans-56.3105.5152.6-60.3-55000110.2
540D41.8Very low36.9Very low161 Ų161143.8 Ų143.886%0.86181%0.809SS**  trans163.466.5153.8-89.1-20.4000107.9Q538Q538-D540 PolarHBondContact O-N 3.24Å
541L38.5Very low36.7Very low149 Ų149146.7 Ų146.778%0.7881%0.809SS**  trans-112.689.3173.3-145.185.5000109.3L543L541-L543 PolarHBondContact O-N 3.43Å
542T37.2Very low36.4Very low140 Ų140147.8 Ų147.886%0.85981%0.808SS**  trans-61.999.5165.7-51.50000108C544T542-C544 PolarHBondContact O-N 3.36Å
543L39.3Very low36.1Very low139 Ų139146 Ų14673%0.72880%0.804SS**  trans-66.8103.7172.9-78.3162.3000108.3L541 L545L541-L543 PolarHBondContact O-N 3.43Å; L543-L545 PolarHBondContact O-N 3.29Å; L543-L545 VanDerWaalsContact O-N 3.15Å
544C39.8Very low36.4Very low84 Ų84140.2 Ų140.257%0.56879%0.787SS**  trans-52118.4148.4-78.20000106.3T542 D546T542-C544 PolarHBondContact O-N 3.36Å; C544-D546 PolarHBondContact O-N 3.27Å
545L37.4Very low36.3Very low156 Ų156141.5 Ų141.582%0.81778%0.78SS**  trans-63.684.6176.8-73.3164000109.4L543 S547L543-L545 PolarHBondContact O-N 3.29Å; L543-L545 VanDerWaalsContact O-N 3.15Å; L545-S547 PolarHBondContact O-N 3.47Å
546D32.8Very low36.3Very low151 Ų151143 Ų14381%0.80778%0.779SS**  trans-8278.7155.3-73.2-25.6000106.6C544 D548C544-D546 PolarHBondContact O-N 3.27Å; D546-D548 PolarHBondContact O-N 3.46Å
547S34.2Very low36.4Very low101 Ų101143.1 Ų143.171%0.70678%0.779SS**  trans-85.894.7160.7-62.20000107.1L545 D549L545-S547 PolarHBondContact O-N 3.47Å; S547-D549 VanDerWaalsContact C-N 3.32Å; S547-D549 PolarHBondContact O-N 3.46Å
548D34.2Very low36Very low158 Ų158141.8 Ų141.885%0.84577%0.768SS**  trans-54.895.6159.4-85.7-37.7000108.8D546D546-D548 PolarHBondContact O-N 3.46Å
549D34.7Very low35.8Very low148 Ų148139.2 Ų139.279%0.79175%0.754SS**SBend174120.5129.4-98.5-31.5000109.9S547S547-D549 VanDerWaalsContact C-N 3.32Å; S547-D549 PolarHBondContact O-N 3.46Å
550S30.2Very low35.5Very low116 Ų116134.2 Ų134.281%0.81173%0.729SS**SBendtrans66.5114.2165.353.50000119.3
551Q29Very low35.5Very low180 Ų180133.8 Ų133.884%0.84172%0.717SS**  trans80.9113.8172.2-66.1-168.3-21.700116.9T553Q551-T553 PolarHBondContact O-N 3.12Å; Q551-T553 VanDerWaalsContact O-N 3.1Å
552P30Very low35.9Very low124 Ų124129.5 Ų129.581%0.80570%0.698SS**  trans-71.3109.3171.930.4-28.2000107.6A554P552-A554 PolarHBondContact O-N 3.26Å
553T31.5Very low36.5Very low138 Ų138128.2 Ų128.285%0.84769%0.686SS**  trans-66.9104.6160.9420000106.4Q551 R555Q551-T553 PolarHBondContact O-N 3.12Å; Q551-T553 VanDerWaalsContact O-N 3.1Å; T553-R555 PolarHBondContact O-N 3.42Å
554A36.8Very low37.2Very low58 Ų58127.4 Ų127.448%0.47969%0.687SS.*  trans-65.5120.6-175.600000109.1P552 E556P552-A554 PolarHBondContact O-N 3.26Å; A554-E556 HydrophobicContact CB-CB 4.37Å; A554-E556 HydrophobicContact CB-CG 3.59Å; A554-E556 WeakPolarHBondContact CB-OE1 3.42Å; A554-E556 PolarHBondContact O-N 3.01Å
555R35.7Very low37.9Very low201 Ų201125.4 Ų125.476%0.75867%0.674SS**  trans-65.876.8156.7-77.1-176.5165.8140.2-3.9107.1T553 N557T553-R555 PolarHBondContact O-N 3.42Å; R555-N557 VanDerWaalsContact C-N 3.28Å; R555-N557 PolarHBondContact O-N 3.45Å
556E38.2Very low39Very low150 Ų150123.8 Ų123.870%0.70167%0.67SS**THydrogen-bonded Turntrans-75-9.2-167-106.2160.8-158.500114.6A554A554-E556 HydrophobicContact CB-CB 4.37Å; A554-E556 HydrophobicContact CB-CG 3.59Å; A554-E556 WeakPolarHBondContact CB-OE1 3.42Å; A554-E556 PolarHBondContact O-N 3.01Å
557N39Very low40.3Very low146 Ų146128 Ų12878%0.78168%0.675SS**THydrogen-bonded Turntrans-127.316.3-172.8-78.5-24.8000115.8R555 F559R555-N557 VanDerWaalsContact C-N 3.28Å; R555-N557 PolarHBondContact O-N 3.45Å; N557-F559 PolarHBondContact O-N 3.31Å
558E33.6Very low41.8Very low128 Ų128127.5 Ų127.560%0.59867%0.667SS**  trans-92.684.4169.4-144.3168.9-162.300109.7T560E558-T560 PolarHBondContact O-N 3.5Å; E558-T560 PolarHBondContact O-OG1 2.99Å
559F37.7Very low43.3Very low133 Ų133121.4 Ų121.458%0.58363%0.634SS**  trans-57.981.8165.2-107.1-88.2000108.9N557 Y561N557-F559 PolarHBondContact O-N 3.31Å; F559-Y561 PolarHBondContact O-N 3.49Å
560T34.7Very low45.3Very low57 Ų57117.2 Ų117.235%0.3562%0.615SS.*  trans-94.398.7169.8-45.60000105.9E558 P562 V568E558-T560 PolarHBondContact O-N 3.5Å; E558-T560 PolarHBondContact O-OG1 2.99Å; T560-P562 WeakPolarHBondContact O-CD 3.5Å; T560-P562 VanDerWaalsContact O-N 3.13Å; T560-V568 HydrophobicContact CG2-CG2 4.3Å
561Y40.1Very low47.5Very low153 Ų153122.7 Ų122.760%0.662%0.618SS**  trans-49.9123.9168.4-70.7-86.5000107.9F559 D563 T564F559-Y561 PolarHBondContact O-N 3.49Å; Y561-D563 PolarHBondContact O-N 3.46Å; Y561-T564 PolarHBondContact O-N 2.97Å
562P48Very low49.9Very low58 Ų58120.6 Ų120.638%0.37761%0.612SS.*THydrogen-bonded Turntrans-60.2-10.1-177.319.5-29.3000113.3T560 T564T560-P562 WeakPolarHBondContact O-CD 3.5Å; T560-P562 VanDerWaalsContact O-N 3.13Å; P562-T564 VanDerWaalsContact C-N 3.34Å; P562-T564 PolarHBondContact O-N 3.23Å
563D50.3Low52Low114 Ų114118.7 Ų118.761%0.6159%0.593SS**THydrogen-bonded Turntrans-72.9-9-178.4-84.3-18.3000116.1Y561Y561-D563 PolarHBondContact O-N 3.46Å
564T52.6Low54.3Low122 Ų122115.2 Ų115.275%0.74857%0.569SS**THydrogen-bonded Turntrans-127.1-16.3-171.956.60000116.9Y561 P562Y561-T564 PolarHBondContact O-N 2.97Å; P562-T564 VanDerWaalsContact C-N 3.34Å; P562-T564 PolarHBondContact O-N 3.23Å
565S54.2Low56.2Low42 Ų42119.3 Ų119.329%0.29458%0.579SS.*  trans-131.199-179.3-169.30000112.4R567 V568S565-R567 PolarHBondContact O-N 2.78Å; S565-V568 PolarHBondContact O-N 3.44Å
566V61.1Low58.1Low122 Ų122115.4 Ų115.474%0.73957%0.57SS**G310 helixtrans-54.2-20.6174.6179.80000112.5V568V566-V568 PolarHBondContact O-N 3.36Å
567R61.3Low59.7Low239 Ų239109.3 Ų109.390%0.90254%0.542SS*.G310 helixtrans-78.3-14.3-175.9-62.2-173.4-173.4-149.72.7114.6S565S565-R567 PolarHBondContact O-N 2.78Å
568V64.6Low61.5Low90 Ų90105.1 Ų105.155%0.54552%0.519SS..G310 helixtrans-93.4-7-176-173.40000112.1T560 S565 V566 P570T560-V568 HydrophobicContact CG2-CG2 4.3Å; S565-V568 PolarHBondContact O-N 3.44Å; V566-V568 PolarHBondContact O-N 3.36Å; V568-P570 VanDerWaalsContact O-CD 3.25Å; V568-P570 WeakPolarHBondContact O-CD 3.18Å
569I65.7Low63.5Low30 Ų30105 Ų10515%0.15452%0.518CS..  trans-76.7113.9-174.8-55.8171.6000109.9L574 L577I569-L574 HydrophobicContact CB-CD1 4.37Å; I569-L574 HydrophobicContact CG2-CB 4.28Å; I569-L574 HydrophobicContact CG2-CD1 3.89Å; I569-L577 HydrophobicContact CG2-CB 4.45Å; I569-L577 HydrophobicContact CG2-CD1 4.05Å
570P76.4Confident65.2Low60 Ų60100.3 Ų100.339%0.3950%0.498SS..  trans-66.8140.1177.331.3-36000109.7V568 N572 Q573 L574V568-P570 VanDerWaalsContact O-CD 3.25Å; V568-P570 WeakPolarHBondContact O-CD 3.18Å; P570-N572 VanDerWaalsContact CB-OD1 3.25Å; P570-N572 WeakPolarHBondContact CB-OD1 3.22Å; P570-N572 WeakPolarHBondContact CG-OD1 3.44Å; P570-N572 PolarHBondContact O-N 3.34Å; P570-N572 PolarHBondContact O-OD1 2.59Å; P570-Q573 HydrophobicContact CG-CB 4.26Å; P570-Q573 HydrophobicContact CG-CG 4.18Å; P570-Q573 PolarHBondContact O-N 2.72Å; P570-L574 PolarHBondContact O-N 2.72Å
571R76.2Confident66.9Low232 Ų23299.5 Ų99.588%0.87549%0.491SS*.THydrogen-bonded Turntrans-58.2-29.1-169.1-172.7175.6179.8166.40.6113.8Q573R571-Q573 VanDerWaalsContact C-N 3.3Å; R571-Q573 PolarHBondContact O-N 3.33Å
572N79.7Confident68.5Low135 Ų135101.3 Ų101.372%0.72250%0.497SS*.THydrogen-bonded Turntrans-66.9-26.5176.859.6-16.3000113.5P570P570-N572 VanDerWaalsContact CB-OD1 3.25Å; P570-N572 WeakPolarHBondContact CB-OD1 3.22Å; P570-N572 WeakPolarHBondContact CG-OD1 3.44Å; P570-N572 PolarHBondContact O-N 3.34Å; P570-N572 PolarHBondContact O-OD1 2.59Å
573Q75.8Confident69.7Low85 Ų85104 Ų10440%0.39751%0.508SS..THydrogen-bonded Turntrans-100.3-12.9179.5-64.2-178.67.700113P570 R571 M575 H576 L577P570-Q573 HydrophobicContact CG-CB 4.26Å; P570-Q573 HydrophobicContact CG-CG 4.18Å; P570-Q573 PolarHBondContact O-N 2.72Å; R571-Q573 VanDerWaalsContact C-N 3.3Å; R571-Q573 PolarHBondContact O-N 3.33Å; Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 2.73Å; Q573-M575 VanDerWaalsContact O-N 3.14Å; Q573-H576 PolarHBondContact O-N 2.8Å; Q573-L577 HydrophobicContact CB-CD1 4.48Å; Q573-L577 PolarHBondContact O-N 2.64Å
574L77.9Confident70.4Confident65 Ų65100.3 Ų100.334%0.3449%0.491SS..Hα-helixtrans-50.1-44.6-173.1-174.767.6000113.5I569 P570 I578I569-L574 HydrophobicContact CB-CD1 4.37Å; I569-L574 HydrophobicContact CG2-CB 4.28Å; I569-L574 HydrophobicContact CG2-CD1 3.89Å; P570-L574 PolarHBondContact O-N 2.72Å; L574-I578 HydrophobicContact CD1-CD1 3.87Å; L574-I578 HydrophobicContact CD1-CG1 4.22Å; L574-I578 HydrophobicContact CD2-CD1 4.38Å; L574-I578 HydrophobicContact CG-CD1 3.69Å; L574-I578 HydrophobicContact CG-CG1 4.38Å; L574-I578 VanDerWaalsContact O-CB 3.26Å; L574-I578 WeakPolarHBondContact O-CB 3.41Å; L574-I578 WeakPolarHBondContact O-CD1 3.4Å; L574-I578 WeakPolarHBondContact O-CG1 2.9Å; L574-I578 PolarHBondContact O-N 3.41Å
575M77.7Confident71Confident143 Ų143101.6 Ų101.670%0.70449%0.493SS*.Hα-helixtrans-68.1-42-178.9-72.4-60.9-6300112.9Q573 Q579Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 2.73Å; Q573-M575 VanDerWaalsContact O-N 3.14Å; M575-Q579 PolarHBondContact O-N 3.48Å; M575-Q579 VanDerWaalsContact O-N 3.09Å
576H76Confident71.5Confident119 Ų119102.1 Ų102.155%0.55151%0.505SS*.Hα-helixtrans-66.6-44.5178.2-174.5-90.2000110.9Q573 Q579 Q580Q573-H576 PolarHBondContact O-N 2.8Å; H576-Q579 WeakPolarHBondContact O-CB 3.45Å; H576-Q579 PolarHBondContact O-N 3.23Å; H576-Q580 VanDerWaalsContact CE1-CD 3.4Å; H576-Q580 PolarHBondContact CE1-NE2 3.23Å; H576-Q580 PolarHBondContact ND1-OE1 2.67Å; H576-Q580 PolarHBondContact O-N 3.43Å
577L71.4Confident71.3Confident22 Ų22103.1 Ų103.112%0.11550%0.501CS..Hα-helixtrans-68.6-38178.8-118.2155.3000112I569 Q573 Q579 Q580 L581I569-L577 HydrophobicContact CG2-CB 4.45Å; I569-L577 HydrophobicContact CG2-CD1 4.05Å; Q573-L577 HydrophobicContact CB-CD1 4.48Å; Q573-L577 PolarHBondContact O-N 2.64Å; L577-Q579 VanDerWaalsContact C-N 3.28Å; L577-Q579 PolarHBondContact O-N 2.87Å; L577-Q580 PolarHBondContact O-N 3.01Å; L577-L581 HydrophobicContact CD2-CD1 4.12Å; L577-L581 HydrophobicContact CD2-CG 4.15Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.36Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.21Å; L577-L581 PolarHBondContact O-N 3.41Å
578I76.8Confident70.8Confident58 Ų5897.6 Ų97.630%0.29750%0.496SS..Hα-helixtrans-61.1-39.8171.5-74.8169.1000110.7L574 R582L574-I578 HydrophobicContact CD1-CD1 3.87Å; L574-I578 HydrophobicContact CD1-CG1 4.22Å; L574-I578 HydrophobicContact CD2-CD1 4.38Å; L574-I578 HydrophobicContact CG-CD1 3.69Å; L574-I578 HydrophobicContact CG-CG1 4.38Å; L574-I578 VanDerWaalsContact O-CB 3.26Å; L574-I578 WeakPolarHBondContact O-CB 3.41Å; L574-I578 WeakPolarHBondContact O-CD1 3.4Å; L574-I578 WeakPolarHBondContact O-CG1 2.9Å; L574-I578 PolarHBondContact O-N 3.41Å; I578-R582 HydrophobicContact CG2-CG 4.49Å; I578-R582 VanDerWaalsContact O-CB 3.32Å; I578-R582 WeakPolarHBondContact O-CB 3.5Å; I578-R582 WeakPolarHBondContact O-CG 3.38Å; I578-R582 PolarHBondContact O-N 2.99Å
579Q76.6Confident69.9Low127 Ų12795.9 Ų95.959%0.59349%0.488SS*.Hα-helixtrans-66.7-43177.1-173.8170.5-700111.3M575 H576 L577 R582 L583M575-Q579 PolarHBondContact O-N 3.48Å; M575-Q579 VanDerWaalsContact O-N 3.09Å; H576-Q579 WeakPolarHBondContact O-CB 3.45Å; H576-Q579 PolarHBondContact O-N 3.23Å; L577-Q579 VanDerWaalsContact C-N 3.28Å; L577-Q579 PolarHBondContact O-N 2.87Å; Q579-R582 WeakPolarHBondContact O-CB 3.48Å; Q579-R582 PolarHBondContact O-N 3.11Å; Q579-L583 VanDerWaalsContact O-CG 3.3Å; Q579-L583 WeakPolarHBondContact O-CG 3.34Å; Q579-L583 PolarHBondContact O-N 3.34Å
580Q72.1Confident69.2Low33 Ų33100 Ų10015%0.15451%0.514CS..Hα-helixtrans-63.4-46.3174.3-84-179.2-3900113H576 L577 R582 L583 S584 L596H576-Q580 VanDerWaalsContact CE1-CD 3.4Å; H576-Q580 PolarHBondContact CE1-NE2 3.23Å; H576-Q580 PolarHBondContact ND1-OE1 2.67Å; H576-Q580 PolarHBondContact O-N 3.43Å; L577-Q580 PolarHBondContact O-N 3.01Å; Q580-R582 VanDerWaalsContact C-N 3.28Å; Q580-R582 PolarHBondContact O-N 3.21Å; Q580-L583 WeakPolarHBondContact O-CB 3.34Å; Q580-L583 PolarHBondContact O-N 3.2Å; Q580-S584 PolarHBondContact O-N 2.85Å; Q580-L596 HydrophobicContact CB-CD1 4.47Å; Q580-L596 HydrophobicContact CB-CD2 3.7Å; Q580-L596 HydrophobicContact CG-CD2 4.04Å
581L69.8Low67.6Low40 Ų40107.2 Ų107.221%0.20954%0.535CS..Hα-helixtrans-61.8-36.9174.8-74.5168.4000111.3L577 L583 S584 L585 L596L577-L581 HydrophobicContact CD2-CD1 4.12Å; L577-L581 HydrophobicContact CD2-CG 4.15Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.36Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.21Å; L577-L581 PolarHBondContact O-N 3.41Å; L581-L583 VanDerWaalsContact C-N 3.31Å; L581-L583 PolarHBondContact O-N 2.78Å; L581-S584 WeakPolarHBondContact CA-OG 3.42Å; L581-S584 PolarHBondContact O-N 3.27Å; L581-S584 PolarHBondContact O-OG 3.27Å; L581-S584 VanDerWaalsContact O-OG 3.09Å; L581-L585 HydrophobicContact CB-CD1 4.36Å; L581-L585 WeakPolarHBondContact O-CB 3.44Å; L581-L585 WeakPolarHBondContact O-CD1 3.44Å; L581-L585 PolarHBondContact O-N 2.82Å; L581-L596 HydrophobicContact CD2-CD1 4.35Å
582R74.9Confident65.8Low191 Ų191101.6 Ų101.672%0.72152%0.523SS*.Hα-helixtrans-64.6-36.2172.9-80.3175.2179.7-178.41.8112.5I578 Q579 Q580 G586I578-R582 HydrophobicContact CG2-CG 4.49Å; I578-R582 VanDerWaalsContact O-CB 3.32Å; I578-R582 WeakPolarHBondContact O-CB 3.5Å; I578-R582 WeakPolarHBondContact O-CG 3.38Å; I578-R582 PolarHBondContact O-N 2.99Å; Q579-R582 WeakPolarHBondContact O-CB 3.48Å; Q579-R582 PolarHBondContact O-N 3.11Å; Q580-R582 VanDerWaalsContact C-N 3.28Å; Q580-R582 PolarHBondContact O-N 3.21Å; R582-G586 PolarHBondContact O-N 2.56Å
583L73Confident63.8Low114 Ų114100.8 Ų100.860%0.59753%0.527SS*.Hα-helixtrans-72.4-39.7176.4-67.8167.4000111.3Q579 Q580 L581 G586 H587Q579-L583 VanDerWaalsContact O-CG 3.3Å; Q579-L583 WeakPolarHBondContact O-CG 3.34Å; Q579-L583 PolarHBondContact O-N 3.34Å; Q580-L583 WeakPolarHBondContact O-CB 3.34Å; Q580-L583 PolarHBondContact O-N 3.2Å; L581-L583 VanDerWaalsContact C-N 3.31Å; L581-L583 PolarHBondContact O-N 2.78Å; L583-G586 PolarHBondContact O-N 3.09Å; L583-H587 PolarHBondContact O-N 3.11Å
584S64.5Low62.1Low38 Ų38101.2 Ų101.227%0.26653%0.532SS..Hα-helixtrans-71.2-44.4178.468.90000112.6Q580 L581 G586 H587Q580-S584 PolarHBondContact O-N 2.85Å; L581-S584 WeakPolarHBondContact CA-OG 3.42Å; L581-S584 PolarHBondContact O-N 3.27Å; L581-S584 PolarHBondContact O-OG 3.27Å; L581-S584 VanDerWaalsContact O-OG 3.09Å; S584-G586 PolarHBondContact O-N 3.06Å; S584-H587 PolarHBondContact O-N 2.81Å
585L66.6Low60.2Low149 Ų149104.8 Ų104.878%0.7855%0.548SS*.Hα-helixtrans-66.7-18.2172.9-85.9116.5000113L581L581-L585 HydrophobicContact CB-CD1 4.36Å; L581-L585 WeakPolarHBondContact O-CB 3.44Å; L581-L585 WeakPolarHBondContact O-CD1 3.44Å; L581-L585 PolarHBondContact O-N 2.82Å
586G63.8Low58.4Low53 Ų5399.4 Ų99.455%0.54652%0.522SS..THydrogen-bonded Turntrans-82.5-15.1177.700000115R582 L583 S584R582-G586 PolarHBondContact O-N 2.56Å; L583-G586 PolarHBondContact O-N 3.09Å; S584-G586 PolarHBondContact O-N 3.06Å
587H56.6Low56.6Low143 Ų14398 Ų9866%0.66252%0.523SS*.  trans-120.6102.7-178.6-94.9-76.1000111.4L583 S584 S589L583-H587 PolarHBondContact O-N 3.11Å; S584-H587 PolarHBondContact O-N 2.81Å; H587-S589 VanDerWaalsContact C-N 3.3Å; H587-S589 PolarHBondContact O-N 2.84Å
588P51.9Low55.1Low122 Ų12299.2 Ų99.279%0.79254%0.537SS*.  trans-81.576.1170.733.1-30.4000109.2
589S45.6Very low53.3Low54 Ų5498.7 Ų98.738%0.37854%0.541SS..  trans-88.6124.7164.370.50000109.1H587 Y591H587-S589 VanDerWaalsContact C-N 3.3Å; H587-S589 PolarHBondContact O-N 2.84Å; S589-Y591 PolarHBondContact O-N 2.79Å
590V49.6Very low51.4Low117 Ų11796.1 Ų96.171%0.70954%0.541SS*.SBendtrans-80.12.7-170.1177.40000112.9
591Y44Very low49.9Very low212 Ų212101.9 Ų101.983%0.83157%0.573SS**SBendtrans-143.74-175.1-67.5-75.3000116.2S589S589-Y591 PolarHBondContact O-N 2.79Å
592D38Very low48.6Very low114 Ų114101.7 Ų101.761%0.6158%0.575SS**  trans-115.7102167.8-69.8-41.2000106.7I594D592-I594 HydrophobicContact CB-CG1 3.78Å; D592-I594 PolarHBondContact O-N 2.75Å
593S37.9Very low47Very low117 Ų11797.1 Ų97.182%0.81857%0.57SS**  trans-59.485.3142.948.20000105M595S593-M595 PolarHBondContact O-N 2.96Å
594I39.4Very low45.7Very low95 Ų9595.1 Ų95.149%0.48756%0.563SS.*  trans-58.497.5166.2-62.9175.6000102.3D592 L596D592-I594 HydrophobicContact CB-CG1 3.78Å; D592-I594 PolarHBondContact O-N 2.75Å; I594-L596 PolarHBondContact O-N 3.4Å
595M38.2Very low44.9Very low139 Ų13995.1 Ų95.169%0.68556%0.561SS**  trans-53.999.8153.5-73.3-165.289.300103.1S593S593-M595 PolarHBondContact O-N 2.96Å
596L40.3Very low44Very low30 Ų3090.9 Ų90.916%0.15754%0.542CS..  trans-45.2136154-77.6167.6000104.7Q580 L581 I594 A598Q580-L596 HydrophobicContact CB-CD1 4.47Å; Q580-L596 HydrophobicContact CB-CD2 3.7Å; Q580-L596 HydrophobicContact CG-CD2 4.04Å; L581-L596 HydrophobicContact CD2-CD1 4.35Å; I594-L596 PolarHBondContact O-N 3.4Å; L596-A598 PolarHBondContact O-N 2.84Å
597P38.1Very low43.4Very low90 Ų9094.7 Ų94.758%0.58455%0.545SS*.  trans-6384.7171.125.4-29.2000105.7A599P597-A599 VanDerWaalsContact C-N 3.27Å; P597-A599 PolarHBondContact O-N 3.43Å
598A39.1Very low43.4Very low48 Ų4892.7 Ų92.740%0.39754%0.539SS..  trans-63.3102.6168.500000101.9L596 A600L596-A598 PolarHBondContact O-N 2.84Å; A598-A600 PolarHBondContact O-N 3.13Å
599A38.8Very low43.7Very low46 Ų4692.7 Ų92.738%0.3853%0.529SS..  trans17.788.8177.900000112.4P597 D601 S602P597-A599 VanDerWaalsContact C-N 3.27Å; P597-A599 PolarHBondContact O-N 3.43Å; A599-D601 PolarHBondContact O-N 3.29Å; A599-S602 PolarHBondContact O-N 2.91Å; A599-S602 PolarHBondContact O-OG 2.75Å
600A37.5Very low44.5Very low73 Ų7396.1 Ų96.160%0.60354%0.543SS*.THydrogen-bonded Turntrans-57.35.2167.200000113A598A598-A600 PolarHBondContact O-N 3.13Å
601D40Very low45.4Very low154 Ų15494 Ų9482%0.82454%0.537SS*.THydrogen-bonded Turntrans-1055.3175.7-59.6-30.3000113.6A599 P603A599-D601 PolarHBondContact O-N 3.29Å; D601-P603 WeakPolarHBondContact O-CD 3.18Å
602S42.2Very low46.6Very low36 Ų3686.7 Ų86.725%0.25252%0.515SS..  trans-85.6115.4163.763.70000109.2A599 T604 V605A599-S602 PolarHBondContact O-N 2.91Å; A599-S602 PolarHBondContact O-OG 2.75Å; S602-T604 PolarHBondContact O-N 2.96Å; S602-V605 PolarHBondContact O-N 2.93Å; S602-V605 WeakPolarHBondContact OG-CG2 3.33Å
603P41.2Very low48.2Very low95 Ų9585.3 Ų85.362%0.61751%0.512SS*.Hα-helixtrans-56.7-28.7-174.219.4-30.7000113.2D601 E607D601-P603 WeakPolarHBondContact O-CD 3.18Å; P603-E607 WeakPolarHBondContact O-CG 3.47Å; P603-E607 PolarHBondContact O-N 3.34Å
604T46.1Very low50.1Low73 Ų7384.5 Ų84.545%0.44850%0.502SS..Hα-helixtrans-71.6-35.7-176.348.60000114.5S602 D608S602-T604 PolarHBondContact O-N 2.96Å; T604-D608 PolarHBondContact O-N 3.5Å
605V48.7Very low51.7Low38 Ų3884.2 Ų84.223%0.2351%0.514CS..Hα-helixtrans-77-27.2-179.4179.40000111.9S602 Q609S602-V605 PolarHBondContact O-N 2.93Å; S602-V605 WeakPolarHBondContact OG-CG2 3.33Å; V605-Q609 WeakPolarHBondContact O-CG 3.31Å; V605-Q609 PolarHBondContact O-N 3.41Å
606V46.2Very low53.3Low60 Ų6081 Ų8136%0.36451%0.505SS..Hα-helixtrans-75.7-36.9175.8-178.80000110.6Q609 N610V606-Q609 PolarHBondContact O-N 2.94Å; V606-N610 WeakPolarHBondContact O-CB 3.3Å; V606-N610 PolarHBondContact O-N 3.32Å; V606-N610 VanDerWaalsContact O-N 3.11Å; V606-N610 PolarHBondContact O-ND2 3.26Å; V606-N610 PolarHBondContact O-OD1 3.33Å
607E51.7Low54.5Low133 Ų13385.5 Ų85.562%0.62153%0.527SS*.Hα-helixtrans-64.9-42.9176.6-76.5-180171.300112.6P603 Q609 N610 A611P603-E607 WeakPolarHBondContact O-CG 3.47Å; P603-E607 PolarHBondContact O-N 3.34Å; E607-Q609 VanDerWaalsContact C-N 3.31Å; E607-Q609 PolarHBondContact O-N 3.04Å; E607-N610 PolarHBondContact O-N 3.3Å; E607-N610 VanDerWaalsContact O-N 3.11Å; E607-A611 WeakPolarHBondContact O-CB 3.18Å; E607-A611 PolarHBondContact O-N 3.32Å
608D57.5Low55.9Low101 Ų10183.5 Ų83.554%0.5452%0.522SS..Hα-helixtrans-66-31.7177.6-89.5-16000113.1T604T604-D608 PolarHBondContact O-N 3.5Å
609Q57.5Low57Low121 Ų12185.8 Ų85.857%0.56553%0.528SS*.Hα-helixtrans-72.6-31173.2-71.2-177.336.600112.3V605 V606 E607V605-Q609 WeakPolarHBondContact O-CG 3.31Å; V605-Q609 PolarHBondContact O-N 3.41Å; V606-Q609 PolarHBondContact O-N 2.94Å; E607-Q609 VanDerWaalsContact C-N 3.31Å; E607-Q609 PolarHBondContact O-N 3.04Å
610N62.3Low58.3Low127 Ų12789.5 Ų89.568%0.67953%0.533SS*.Hα-helixtrans-81.7-15.5178.5-65.8-13.7000113.1V606 E607V606-N610 WeakPolarHBondContact O-CB 3.3Å; V606-N610 PolarHBondContact O-N 3.32Å; V606-N610 VanDerWaalsContact O-N 3.11Å; V606-N610 PolarHBondContact O-ND2 3.26Å; V606-N610 PolarHBondContact O-OD1 3.33Å; E607-N610 PolarHBondContact O-N 3.3Å; E607-N610 VanDerWaalsContact O-N 3.11Å
611A68.2Low59.6Low71 Ų7192.9 Ų92.959%0.58754%0.536SS*.THydrogen-bonded Turntrans-87.1-4.4179.400000114.4E607 P613E607-A611 WeakPolarHBondContact O-CB 3.18Å; E607-A611 PolarHBondContact O-N 3.32Å; A611-P613 VanDerWaalsContact O-CD 3.29Å; A611-P613 WeakPolarHBondContact O-CD 3.42Å
612V69.9Low61Low59 Ų5989.4 Ų89.436%0.35852%0.515SS..SBendtrans-72.8120.1-176.8-175.60000110.4V614 S616 M617V612-V614 PolarHBondContact O-N 3.1Å; V612-S616 VanDerWaalsContact CG1-OG 3.25Å; V612-S616 WeakPolarHBondContact CG1-OG 3.34Å; V612-M617 HydrophobicContact CB-CG 3.93Å; V612-M617 HydrophobicContact CB-SD 4.47Å; V612-M617 HydrophobicContact CG1-CG 3.6Å
613P71.5Confident62.4Low86 Ų8693.1 Ų93.156%0.55853%0.528SS*.  trans-55.1142176-25.532.7000112A611 A615 S616 M617A611-P613 VanDerWaalsContact O-CD 3.29Å; A611-P613 WeakPolarHBondContact O-CD 3.42Å; P613-A615 PolarHBondContact O-N 3.48Å; P613-S616 VanDerWaalsContact CD-OG 3.29Å; P613-S616 WeakPolarHBondContact CD-OG 3.46Å; P613-S616 WeakPolarHBondContact O-CA 3.28Å; P613-S616 PolarHBondContact O-N 3.18Å; P613-S616 PolarHBondContact O-OG 2.88Å; P613-M617 WeakPolarHBondContact O-CG 3.18Å; P613-M617 PolarHBondContact O-N 3.31Å
614V77Confident63.7Low100 Ų10093.1 Ų93.161%0.60652%0.523SS*.THydrogen-bonded Turntrans-53.4-32.6179.2179.40000112.2V612 S616 M617V612-V614 PolarHBondContact O-N 3.1Å; V614-S616 VanDerWaalsContact C-N 3.25Å; V614-S616 PolarHBondContact O-N 3.49Å; V614-M617 HydrophobicContact CG2-CE 4.36Å; V614-M617 PolarHBondContact O-N 3.11Å
615A73.7Confident65Low89 Ų8997.9 Ų97.974%0.73654%0.537SS*.THydrogen-bonded Turntrans-64.4-25.8176.900000114.1P613P613-A615 PolarHBondContact O-N 3.48Å
616S72.2Confident66.3Low72 Ų72104.7 Ų104.750%0.50356%0.559SS.*THydrogen-bonded Turntrans-97.6-13.3177.837.80000114.1V612 P613 V614 G618V612-S616 VanDerWaalsContact CG1-OG 3.25Å; V612-S616 WeakPolarHBondContact CG1-OG 3.34Å; P613-S616 VanDerWaalsContact CD-OG 3.29Å; P613-S616 WeakPolarHBondContact CD-OG 3.46Å; P613-S616 WeakPolarHBondContact O-CA 3.28Å; P613-S616 PolarHBondContact O-N 3.18Å; P613-S616 PolarHBondContact O-OG 2.88Å; V614-S616 VanDerWaalsContact C-N 3.25Å; V614-S616 PolarHBondContact O-N 3.49Å; S616-G618 PolarHBondContact O-N 3.25Å
617M66.1Low67.8Low123 Ų123105.4 Ų105.461%0.60656%0.563SS**SBendtrans-74.234.2-177.9-62.2-162.8-36.200114.7V612 P613 V614V612-M617 HydrophobicContact CB-CG 3.93Å; V612-M617 HydrophobicContact CB-SD 4.47Å; V612-M617 HydrophobicContact CG1-CG 3.6Å; P613-M617 WeakPolarHBondContact O-CG 3.18Å; P613-M617 PolarHBondContact O-N 3.31Å; V614-M617 HydrophobicContact CG2-CE 4.36Å; V614-M617 PolarHBondContact O-N 3.11Å
618G66.3Low68.8Low48 Ų48102.7 Ų102.750%0.49556%0.564SS.*SBendtrans120.1-177.8176.300000113.9S616 Y620S616-G618 PolarHBondContact O-N 3.25Å; G618-Y620 PolarHBondContact O-N 3.43Å
619N62.5Low69.4Low97 Ų97103.1 Ų103.152%0.51957%0.572SS.*  trans-76.356.4-173.7-153.3-12.1000112.5Q621 E622 H623N619-Q621 PolarHBondContact O-N 2.92Å; N619-Q621 VanDerWaalsContact O-N 3.15Å; N619-E622 HydrophobicContact CB-CB 4.09Å; N619-E622 VanDerWaalsContact CG-CB 3.43Å; N619-E622 WeakPolarHBondContact ND2-CB 3.36Å; N619-E622 WeakPolarHBondContact ND2-CG 3.21Å; N619-E622 PolarHBondContact ND2-OE2 2.96Å; N619-E622 PolarHBondContact O-N 3.05Å; N619-E622 WeakPolarHBondContact OD1-CB 3.38Å; N619-E622 PolarHBondContact OD1-N 3.01Å; N619-E622 VanDerWaalsContact OD1-N 3.08Å; N619-H623 PolarHBondContact O-N 2.97Å
620Y66.3Low70Confident123 Ų123103.3 Ų103.348%0.48258%0.583SS.*Hα-helixtrans-55.8-31177.5-173.7-107.8000111.3G618 H623 L624G618-Y620 PolarHBondContact O-N 3.43Å; Y620-H623 PolarHBondContact O-N 3.01Å; Y620-L624 HydrophobicContact CD1-CD1 3.72Å; Y620-L624 HydrophobicContact CD1-CG 4.13Å; Y620-L624 HydrophobicContact CE1-CD1 3.25Å; Y620-L624 HydrophobicContact CE1-CD2 4.32Å; Y620-L624 HydrophobicContact CE1-CG 3.75Å; Y620-L624 HydrophobicContact CE2-CG 4.44Å; Y620-L624 WeakPolarHBondContact O-CB 3.28Å; Y620-L624 WeakPolarHBondContact O-CG 3.41Å; Y620-L624 PolarHBondContact O-N 2.83Å
621Q65Low70.1Confident144 Ų144105.1 Ų105.167%0.67359%0.592SS**Hα-helixtrans-69.8-35.6173.4-83.3172.3-9.500114.1N619 K625N619-Q621 PolarHBondContact O-N 2.92Å; N619-Q621 VanDerWaalsContact O-N 3.15Å; Q621-K625 WeakPolarHBondContact O-CB 3.46Å; Q621-K625 WeakPolarHBondContact O-CD 3.34Å; Q621-K625 WeakPolarHBondContact O-CG 3.31Å; Q621-K625 PolarHBondContact O-N 3.28Å
622E69.5Low70Confident82 Ų82113 Ų11338%0.38361%0.607SS.*Hα-helixtrans-68.1-41167.6-97.4-163.3125.400111.5N619 K625 R626N619-E622 HydrophobicContact CB-CB 4.09Å; N619-E622 VanDerWaalsContact CG-CB 3.43Å; N619-E622 WeakPolarHBondContact ND2-CB 3.36Å; N619-E622 WeakPolarHBondContact ND2-CG 3.21Å; N619-E622 PolarHBondContact ND2-OE2 2.96Å; N619-E622 PolarHBondContact O-N 3.05Å; N619-E622 WeakPolarHBondContact OD1-CB 3.38Å; N619-E622 PolarHBondContact OD1-N 3.01Å; N619-E622 VanDerWaalsContact OD1-N 3.08Å; E622-K625 PolarHBondContact O-N 2.92Å; E622-R626 WeakPolarHBondContact O-CG 3.33Å; E622-R626 PolarHBondContact O-N 2.65Å; E622-R626 IonicContact OE1-CZ 3.64Å; E622-R626 IonicContact OE1-NE 3.86Å; E622-R626 IonicContact OE1-NH2 2.71Å; E622-R626 PolarHBondContact OE1-NH2 3.04Å; E622-R626 IonicContact OE2-NH2 3.23Å; E622-R626 PolarHBondContact OE2-NH2 3.15Å
623H70.5Confident69.6Low114 Ų114117.5 Ų117.553%0.52863%0.629SS.*Hα-helixtrans-59.4-52.2178.9-17580.4000110.7N619 Y620 K625 R626 V627N619-H623 PolarHBondContact O-N 2.97Å; Y620-H623 PolarHBondContact O-N 3.01Å; H623-K625 PolarHBondContact O-N 3.12Å; H623-R626 CarbonylContact O-C 3.6Å; H623-R626 PolarHBondContact O-N 3.27Å; H623-V627 WeakPolarHBondContact NE2-CG2 3.23Å; H623-V627 WeakPolarHBondContact O-CG2 3.49Å; H623-V627 PolarHBondContact O-N 3.44Å
624L68.8Low68.9Low94 Ų94121.8 Ų121.849%0.49265%0.645SS.*Hα-helixtrans-60.1-30176.5-77179.8000113.6Y620Y620-L624 HydrophobicContact CD1-CD1 3.72Å; Y620-L624 HydrophobicContact CD1-CG 4.13Å; Y620-L624 HydrophobicContact CE1-CD1 3.25Å; Y620-L624 HydrophobicContact CE1-CD2 4.32Å; Y620-L624 HydrophobicContact CE1-CG 3.75Å; Y620-L624 HydrophobicContact CE2-CG 4.44Å; Y620-L624 WeakPolarHBondContact O-CB 3.28Å; Y620-L624 WeakPolarHBondContact O-CG 3.41Å; Y620-L624 PolarHBondContact O-N 2.83Å
625K73.4Confident68Low174 Ų174124.9 Ų124.976%0.75765%0.653SS**Hα-helixtrans-75.4-26.2173.8-74.4171.3-174.1172.10113Q621 E622 H623Q621-K625 WeakPolarHBondContact O-CB 3.46Å; Q621-K625 WeakPolarHBondContact O-CD 3.34Å; Q621-K625 WeakPolarHBondContact O-CG 3.31Å; Q621-K625 PolarHBondContact O-N 3.28Å; E622-K625 PolarHBondContact O-N 2.92Å; H623-K625 PolarHBondContact O-N 3.12Å
626R75.9Confident67.2Low180 Ų180126.4 Ų126.468%0.67966%0.655SS**Hα-helixtrans-90-23.2177.9-69.8179.5-165.1174.16.3113.1E622 H623 A628E622-R626 WeakPolarHBondContact O-CG 3.33Å; E622-R626 PolarHBondContact O-N 2.65Å; E622-R626 IonicContact OE1-CZ 3.64Å; E622-R626 IonicContact OE1-NE 3.86Å; E622-R626 IonicContact OE1-NH2 2.71Å; E622-R626 PolarHBondContact OE1-NH2 3.04Å; E622-R626 IonicContact OE2-NH2 3.23Å; E622-R626 PolarHBondContact OE2-NH2 3.15Å; H623-R626 CarbonylContact O-C 3.6Å; H623-R626 PolarHBondContact O-N 3.27Å; R626-A628 PolarHBondContact O-N 3.31Å
627V77.6Confident66.6Low76 Ų76127.2 Ų127.246%0.46167%0.667SS.*SBendtrans-64.8106.6172173.90000107.9H623H623-V627 WeakPolarHBondContact NE2-CG2 3.23Å; H623-V627 WeakPolarHBondContact O-CG2 3.49Å; H623-V627 PolarHBondContact O-N 3.44Å
628A73.3Confident66.2Low76 Ų76127.1 Ų127.163%0.62868%0.675SS**PPolyproline II helixtrans-56.5136.4172.700000108.8R626R626-A628 PolarHBondContact O-N 3.31Å
629P69.7Low65.7Low110 Ų110129.5 Ų129.571%0.71469%0.69SS**PPolyproline II helixtrans-54.6132.6174.523.2-31.9000108L631P629-L631 PolarHBondContact O-N 3.33Å; P629-L631 VanDerWaalsContact O-N 3.1Å
630P70.1Confident65.5Low124 Ų124136.7 Ų136.781%0.80571%0.71SS**PPolyproline II helixtrans-52.7124.4-176.419.4-30.9000109.2R632P630-R632 PolarHBondContact O-N 3.35Å
631L63.6Low65.4Low166 Ų166139.6 Ų139.687%0.86973%0.728SS**PPolyproline II helixtrans-57.1126.5177.7-71.5165.8000107.6P629 D633P629-L631 PolarHBondContact O-N 3.33Å; P629-L631 VanDerWaalsContact O-N 3.1Å; L631-D633 PolarHBondContact O-N 2.88Å
632R66.7Low64.9Low235 Ų235141.4 Ų141.489%0.88774%0.737SS**PPolyproline II helixtrans-56.9128.9171-81.4-179.8177.4150.7-0.7108.4P630 I634P630-R632 PolarHBondContact O-N 3.35Å; R632-I634 PolarHBondContact O-N 2.91Å
633D62.4Low64.3Low154 Ų154142.2 Ų142.282%0.82476%0.757SS**PPolyproline II helixtrans-55.5123.2172.4-65.6-44.6000109.8L631 E635L631-D633 PolarHBondContact O-N 2.88Å; D633-E635 PolarHBondContact O-N 3.42Å
634I56.6Low63.1Low177 Ų177147.4 Ų147.491%0.90878%0.778SS**SBendtrans-8010-177.3-70.3170.6000111.9R632R632-I634 PolarHBondContact O-N 2.91Å
635E57.1Low62.2Low165 Ų165146.4 Ų146.477%0.77179%0.791SS**SBendtrans-126.1124175.2-144.3171.4-16400109.7D633 A637D633-E635 PolarHBondContact O-N 3.42Å; E635-A637 PolarHBondContact O-N 3.03Å
636P57.4Low61.4Low120 Ų120143.8 Ų143.878%0.77979%0.785SS**  trans-64.7107176.226.3-30.8000108.2
637A60.4Low60.4Low90 Ų90139.9 Ų139.974%0.74478%0.783SS**  trans-51.6124.317500000108.9E635 A639E635-A637 PolarHBondContact O-N 3.03Å; A637-A639 PolarHBondContact O-N 2.8Å
638P57.8Low59.4Low121 Ų121145 Ų14579%0.78680%0.8SS**  trans-58.9133.9-176.722.3-31.6000109.3R640P638-R640 PolarHBondContact O-N 3.44Å
639A56.2Low58.3Low98 Ų98149.4 Ų149.481%0.8180%0.804SS**  trans-48112.2-178.900000109.9A637 Q641A637-A639 PolarHBondContact O-N 2.8Å; A639-Q641 PolarHBondContact O-N 2.83Å
640R58.2Low57.4Low248 Ų248150.2 Ų150.294%0.93681%0.807SS**  trans-57.2108-177-150.2179.2-168.2-156.93.9107.8P638 Q642P638-R640 PolarHBondContact O-N 3.44Å; R640-Q642 PolarHBondContact O-N 2.79Å
641Q62.6Low56.1Low184 Ų184152 Ų15286%0.8681%0.81SS**  trans-57.5129174.2-71.2175.9-26.100108A639 A643A639-Q641 PolarHBondContact O-N 2.83Å; Q641-A643 PolarHBondContact O-N 2.92Å
642Q55.3Low55.2Low182 Ų182153 Ų15385%0.8581%0.807SS**  trans-65.4104.6179.7-70.3-168.7-10.800109.7R640 F644R640-Q642 PolarHBondContact O-N 2.79Å; Q642-F644 PolarHBondContact O-N 3.3Å
643A56.6Low54.1Low98 Ų98153.4 Ų153.481%0.8181%0.809SS**  trans-78.4113.8163.800000108.4Q641Q641-A643 PolarHBondContact O-N 2.92Å
644F45.9Very low53.1Low223 Ų223154 Ų15498%0.97881%0.809SS**SBendtrans9.7121158.7-126.4-103.1000118.2Q642Q642-F644 PolarHBondContact O-N 3.3Å
645G48.6Very low52.8Low73 Ų73154.2 Ų154.275%0.75381%0.811SS**  trans136.95.7155.300000119.8P647G645-P647 WeakPolarHBondContact O-CD 3.36Å
646N56.9Low52.5Low120 Ų120152.2 Ų152.264%0.64281%0.81SS**  trans-100.8110.1176-165.6-17.5000112F648N646-F648 VanDerWaalsContact C-N 3.3Å; N646-F648 PolarHBondContact O-N 3.5Å; N646-F648 PolarHBondContact OD1-N 3.43Å
647P55.8Low52Low98 Ų98153.5 Ų153.564%0.63681%0.81SS**THydrogen-bonded Turntrans-76.7-4.3-173.9-9.926.8000115.4G645G645-P647 WeakPolarHBondContact O-CD 3.36Å
648F56.6Low51.2Low183 Ų183156.9 Ų156.980%0.80381%0.81SS**THydrogen-bonded Turntrans-106.69.5-169.2-63.3-78.5000115.5N646N646-F648 VanDerWaalsContact C-N 3.3Å; N646-F648 PolarHBondContact O-N 3.5Å; N646-F648 PolarHBondContact OD1-N 3.43Å
649K48.9Very low50.5Low168 Ų168156.7 Ų156.773%0.7381%0.807SS**  trans-125.371.1172.7-79.9-177.6176.3175.10111.5D651K649-D651 PolarHBondContact O-N 3.01Å; K649-D651 VanDerWaalsContact O-N 3.15Å
650V50.7Low49.8Very low128 Ų128158.4 Ų158.478%0.77680%0.803SS**  trans-81.784.5171.1-1710000108.9K652V650-K652 PolarHBondContact O-N 2.87Å; V650-K652 VanDerWaalsContact O-N 3.16Å
651D44.6Very low48.7Very low162 Ų162154.2 Ų154.287%0.86680%0.797SS**  trans-75.4102.2170-126.9-17.1000109K649 R653K649-D651 PolarHBondContact O-N 3.01Å; K649-D651 VanDerWaalsContact O-N 3.15Å; D651-R653 PolarHBondContact O-N 2.81Å
652K43.5Very low47.5Very low186 Ų186148.4 Ų148.481%0.80979%0.787SS**  trans-59.894.4174-98.5173.9171169.50109.8V650V650-K652 PolarHBondContact O-N 2.87Å; V650-K652 VanDerWaalsContact O-N 3.16Å
653R44Very low46.6Very low243 Ų243144.9 Ų144.992%0.91778%0.782SS**  trans-169.192154.4-98.9155.2-144.4-142.710.6112.2D651D651-R653 PolarHBondContact O-N 2.81Å
654M42.2Very low45.4Very low167 Ų167147.5 Ų147.582%0.82378%0.783SS**  trans29.1113.8145.4-60.8-169.297.300120.3V656M654-V656 HydrophobicContact CE-CG2 4.42Å
655L50.3Low44.9Very low181 Ų181146.1 Ų146.195%0.94878%0.776SS**  -147.4128.7118.8-137.7104.8000108.9
656V50.5Low44.1Very low123 Ų123150.2 Ų150.275%0.74578%0.776SS**PPolyproline II helixtrans-89.4139.8-163.6169.10000111.2M654M654-V656 HydrophobicContact CE-CG2 4.42Å
657D45.5Very low43Very low148 Ų148149.4 Ų149.479%0.79178%0.775SS**PPolyproline II helixtrans-67159.1-178.5-162.16.8000113.7
658E43.6Very low41.8Very low160 Ų160152.1 Ų152.175%0.74878%0.784SS**PPolyproline II helixtrans-66.1165.6-177.1-58.7-16114300113.4
659T44.6Very low40.9Very low117 Ų117146.6 Ų146.672%0.71878%0.779SS**  trans81.9124153.558.10000120.2
660D41.3Very low40.4Very low135 Ų135144.9 Ų144.972%0.72278%0.783SS**  trans83.3101.8142.4-64.8-17000122.2
661I35.1Very low39.6Very low159 Ų159142.9 Ų142.982%0.81578%0.78SS**  67.2111.9126-55.6161.8000117.4
662G37.1Very low39.1Very low62 Ų62141.7 Ų141.764%0.63977%0.774SS**  trans120.3102.6132.600000117.4
663S35.3Very low38.8Very low108 Ų108137.3 Ų137.376%0.75576%0.759SS**  trans64111.5145.164.20000120.1
664N32.3Very low38.6Very low154 Ų154133.1 Ų133.182%0.82475%0.747SS**  40.6109.8124.5-60.6-13.6000117.2
665F34.6Very low38.2Very low193 Ų193132.6 Ų132.685%0.84675%0.746SS**  -170.2138.299.3-148.9-112000111.5
666Q32Very low37.5Very low160 Ų160127.9 Ų127.975%0.74873%0.733SS**  trans-70164.7176-65.8164-46.900111.8
667V34.3Very low37Very low103 Ų103128.6 Ų128.662%0.62473%0.732SS**  143.7101119.4177.50000112.1
668N31Very low36.5Very low154 Ų154131.9 Ų131.982%0.82473%0.734SS**  53.1131.9124.7-54.1-15.1000122.4
669G36.7Very low36.1Very low67 Ų67132.6 Ų132.669%0.69173%0.734SS**  trans-178.656.3155.100000116.8
670T38.5Very low35.7Very low133 Ų133132.4 Ų132.482%0.81673%0.729SS**  trans40.9115141.358.70000119.8
671A34.7Very low35.6Very low86 Ų86133.3 Ų133.371%0.71173%0.733SS**  cis73.3140.146.800000116.5
672N34.7Very low35.7Very low137 Ų137131 Ų13173%0.73373%0.731SS**  trans101.7136.8158-64.8-2.1000116.8
673D37.4Very low35.8Very low94 Ų94133.5 Ų133.550%0.50374%0.735SS.*  cis-173.7148.98-114.6-24.5000112.1
674K38.6Very low36.1Very low154 Ų154134.2 Ų134.267%0.6774%0.741SS**  trans62.2118.8132.6-68.1162.3-171.4147.60121
675I34.3Very low36.5Very low157 Ų157132.7 Ų132.781%0.80574%0.739SS**  70.5116.274.2-64.5159.1000113.3
676A36.3Very low36.6Very low81 Ų81129.6 Ų129.667%0.66974%0.738SS**  153.1121.1123.500000116.7
677L38.1Very low36.8Very low138 Ų138126.5 Ų126.572%0.72374%0.74SS**  66.3116.7124.8-68.5154.8000123.3
678R35.8Very low37Very low218 Ų218127 Ų12782%0.82375%0.748SS**  80.8115.9123.4-78.8-178.4-172.5171.64.2122.7
679K35Very low37.2Very low175 Ų175125.7 Ų125.776%0.76175%0.748SS**  80.6133113.3-131.7-168.5168.4-156.50121.6
680D36.8Very low37.2Very low113 Ų113128.4 Ų128.460%0.60476%0.756SS**  trans93.5113.8146-72.2-25.2000121.8
681L38.3Very low37.1Very low154 Ų154127.2 Ų127.281%0.80675%0.754SS**  trans92.9100.6132.3-62.6164.8000124.1
682S37.2Very low37.1Very low111 Ų111128.8 Ų128.878%0.77676%0.759SS**  82.1161.7126.193.10000120.8
683P40.7Very low37.1Very low113 Ų113129.4 Ų129.473%0.73476%0.763SS**  -133.7157.4-9435.1-15.3000115.3
684S40.5Very low37.2Very low124 Ų124129.7 Ų129.787%0.86777%0.772SS**  trans-176.2153152.4-77.40000111
685P41.9Very low37.2Very low121 Ų121130.4 Ų130.479%0.78678%0.781SS**  trans-94.2165.8-13636.4-36000116.6
686P35.2Very low37.5Very low128 Ų128133.6 Ų133.683%0.83178%0.783SS**  trans-99.9141.3-169.636.7-28.5000113.7
687A37.5Very low37.8Very low96 Ų96139.7 Ų139.779%0.79380%0.795SS**  trans-99.7110.8162.900000109.7
688S38.3Very low38.1Very low113 Ų113144.9 Ų144.979%0.7981%0.805SS**  trans27.8118.6148.3430000120.8
689P35.4Very low38.9Very low126 Ų126137.6 Ų137.682%0.81880%0.797SS**PPolyproline II helixtrans-102.2131.7150.133.4-22.2000111.2
690S35.7Very low40.1Very low124 Ų124135.7 Ų135.787%0.86780%0.803SS**PPolyproline II helixtrans-64.7122.2171.548.20000111.8
691S36.7Very low41Very low108 Ų108135.6 Ų135.676%0.75580%0.802SS**PPolyproline II helixtrans-91.1128.4168.6550000110.9
692S34.3Very low41.6Very low119 Ų119132.7 Ų132.783%0.83279%0.792SS**PPolyproline II helixtrans-60.7132.5166.3400000111.6
693D35.7Very low42.3Very low150 Ų150136.7 Ų136.780%0.80280%0.799SS**  trans-129.9123167.6-114.8-22000110.2
694S38.5Very low42.9Very low100 Ų100138.2 Ų138.270%0.69980%0.801SS**  trans-54.2124.5-177.652.70000113.7R696S694-R696 PolarHBondContact O-N 3.39Å
695I40.2Very low43Very low169 Ų169139.3 Ų139.387%0.86779%0.787SS**  trans-75.7107.2168.7-63.9172.6000108.4
696R39.8Very low42.8Very low224 Ų224140.5 Ų140.585%0.84579%0.787SS**PPolyproline II helixtrans-73.2128166.6-69.2-176.4-177.5-169.4-1.2109.7S694S694-R696 PolarHBondContact O-N 3.39Å
697K43.1Very low43Very low209 Ų209141.5 Ų141.591%0.90978%0.778SS**PPolyproline II helixtrans-56.5134.1172-70.9179.3176.2177.90110.3
698R44.3Very low42.8Very low247 Ų247144.9 Ų144.993%0.93278%0.782SS**PPolyproline II helixtrans-75.8131.3175.6-69.2-176.3-179.7-158.51.2109.5
699G51Low42.6Very low65 Ų65146.5 Ų146.567%0.6778%0.781SS**PPolyproline II helixtrans-71.7165.7173.800000113.2
700P61.6Low42.2Very low135 Ų135150.8 Ų150.888%0.87778%0.781SS**PPolyproline II helixtrans-64.8148.7-178.226.3-32.6000112.6
701L54.3Low42Very low111 Ų111155.4 Ų155.458%0.58178%0.779SS**PPolyproline II helixtrans-76.4147.5178.3-86.6141000110.9Y705L701-Y705 HydrophobicContact CD2-CD1 4.32Å; L701-Y705 HydrophobicContact CD2-CD2 3.92Å; L701-Y705 HydrophobicContact CD2-CE2 4.19Å; L701-Y705 HydrophobicContact CD2-CG 3.98Å
702P52.1Low41.7Very low93 Ų93159.1 Ų159.160%0.60479%0.785SS**PPolyproline II helixtrans-59.3148.7172.3-20.332.1000112.7D704 Y705P702-D704 PolarHBondContact O-N 3.01Å; P702-D704 VanDerWaalsContact O-N 3.13Å; P702-Y705 PolarHBondContact O-N 3.32Å
703E52.3Low41.4Very low196 Ų196162.1 Ų162.192%0.91679%0.786SS**THydrogen-bonded Turntrans-60.5-21.7-174.1-71.4179.5157.400114.3Y705E703-Y705 PolarHBondContact O-N 3.15Å; E703-Y705 VanDerWaalsContact O-N 3.16Å
704D52.1Low41.1Very low145 Ų145159.2 Ų159.278%0.77578%0.783SS**THydrogen-bonded Turntrans-81.58.2-176.6-40.4-26.1000113.8P702 N706P702-D704 PolarHBondContact O-N 3.01Å; P702-D704 VanDerWaalsContact O-N 3.13Å; D704-N706 PolarHBondContact O-N 3.35Å; D704-N706 VanDerWaalsContact O-N 3.12Å
705Y43Very low40.6Very low147 Ų147160 Ų16058%0.57679%0.788SS**  trans-85.886.7-173.5-149.3-90000112.5L701 P702 E703 F707L701-Y705 HydrophobicContact CD2-CD1 4.32Å; L701-Y705 HydrophobicContact CD2-CD2 3.92Å; L701-Y705 HydrophobicContact CD2-CE2 4.19Å; L701-Y705 HydrophobicContact CD2-CG 3.98Å; P702-Y705 PolarHBondContact O-N 3.32Å; E703-Y705 PolarHBondContact O-N 3.15Å; E703-Y705 VanDerWaalsContact O-N 3.16Å; Y705-F707 HydrophobicContact CD1-CD2 4.47Å; Y705-F707 HydrophobicContact CD1-CE2 4.41Å; Y705-F707 PolarHBondContact O-N 3.42Å; Y705-F707 VanDerWaalsContact O-N 3.14Å
706N37.2Very low40.2Very low145 Ų145160.8 Ų160.878%0.77579%0.785SS**  trans-63.9108.9171.1-80.3-56.3000111.7D704 L708D704-N706 PolarHBondContact O-N 3.35Å; D704-N706 VanDerWaalsContact O-N 3.12Å; N706-L708 PolarHBondContact O-N 3.23Å
707F40.9Very low39.7Very low149 Ų149153.3 Ų153.365%0.65478%0.779SS**  trans-70.192.9169.6-88.6-91.5000110.6Y705 L709Y705-F707 HydrophobicContact CD1-CD2 4.47Å; Y705-F707 HydrophobicContact CD1-CE2 4.41Å; Y705-F707 PolarHBondContact O-N 3.42Å; Y705-F707 VanDerWaalsContact O-N 3.14Å; F707-L709 HydrophobicContact CD1-CD1 4.14Å; F707-L709 HydrophobicContact CD1-CG 4.44Å; F707-L709 PolarHBondContact O-N 2.6Å
708L32.8Very low38.9Very low168 Ų168151.6 Ų151.688%0.8878%0.778SS**  trans-7877.1155.7-67.6-179.7000108.9N706 R710N706-L708 PolarHBondContact O-N 3.23Å; L708-R710 PolarHBondContact O-N 3.47Å
709L33.6Very low38.3Very low147 Ų147145.3 Ų145.377%0.7777%0.769SS**  trans-68.889.6161.6-100.5153.3000107.5F707 R711F707-L709 HydrophobicContact CD1-CD1 4.14Å; F707-L709 HydrophobicContact CD1-CG 4.44Å; F707-L709 PolarHBondContact O-N 2.6Å; L709-R711 VanDerWaalsContact C-N 3.26Å; L709-R711 PolarHBondContact O-N 3.02Å
710R26.9Very low37Very low216 Ų216149.2 Ų149.282%0.81578%0.78SS**  trans-61.890.9166.5-174.2-176.5-100-164.8-8.7107.4L708 Q712L708-R710 PolarHBondContact O-N 3.47Å; R710-Q712 PolarHBondContact O-N 3.36Å; R710-Q712 VanDerWaalsContact O-N 3.13Å
711R32.2Very low35.6Very low221 Ų221150.2 Ų150.283%0.83478%0.777SS**  trans-61.9110.2162-133.3179.8-166.4-169.23.8105.3L709 E713L709-R711 VanDerWaalsContact C-N 3.26Å; L709-R711 PolarHBondContact O-N 3.02Å; R711-E713 PolarHBondContact O-N 2.96Å
712Q29.5Very low34.4Very low186 Ų186153.9 Ų153.987%0.86979%0.791SS**  trans-64.7104.7165.5-91177.6-23.100106.5R710R710-Q712 PolarHBondContact O-N 3.36Å; R710-Q712 VanDerWaalsContact O-N 3.13Å
713E28.3Very low33.3Very low181 Ų181158.7 Ų158.785%0.84681%0.806SS**  trans-59.9133163.8-67.9178.915800108.2R711 S715R711-E713 PolarHBondContact O-N 2.96Å; E713-S715 PolarHBondContact O-N 2.72Å; E713-S715 VanDerWaalsContact O-N 3.13Å
714A29.8Very low32.3Very low90 Ų90157.1 Ų157.174%0.74480%0.803SS**  trans-63.1114.4164.500000107.3F716A714-F716 PolarHBondContact O-N 2.74Å; A714-F716 VanDerWaalsContact O-N 3.12Å
715S28.3Very low31.3Very low116 Ų116156 Ų15681%0.81180%0.803SS**  trans-57108.1-179.345.30000111.9E713E713-S715 PolarHBondContact O-N 2.72Å; E713-S715 VanDerWaalsContact O-N 3.13Å
716F31Very low30.9Very low185 Ų185157.5 Ų157.581%0.81182%0.82SS**  trans-112.2127.6150.2-79.5-83.8000107.4A714A714-F716 PolarHBondContact O-N 2.74Å; A714-F716 VanDerWaalsContact O-N 3.12Å
717G28.4Very low30.7Very low68 Ų68159.8 Ų159.870%0.70183%0.826SS**  trans-79164.5-163.800000116.1
718L28.2Very low30.6Very low172 Ų172154.8 Ų154.890%0.90182%0.817SS**  trans93.3151.2160.3-61.2155.5000117.1
719P29.7Very low30.9Very low115 Ų115153 Ų15375%0.74780%0.799SS**  -119.3162.1-60.825.8-7.4000111.5L721P719-L721 PolarHBondContact O-N 2.92Å
720V25.3Very low31.2Very low148 Ų148148.1 Ų148.190%0.89778%0.778SS**  trans-66.3122.9-177176.20000111.5
721L31.2Very low32.3Very low156 Ų156143.2 Ų143.282%0.81777%0.773SS**  trans-112.2136.4163.7-89.5173.8000110.5P719P719-L721 PolarHBondContact O-N 2.92Å
722Q30.1Very low32.9Very low187 Ų187140.4 Ų140.487%0.87478%0.775SS**  trans-45.8128.8-177.1-83157-45.300114.4
723Q28.6Very low34.5Very low194 Ų194134.9 Ų134.991%0.90776%0.756SS**PPolyproline II helixtrans-90124.7162.7-75.1179.1-41.500109.8
724L30.5Very low35.3Very low164 Ų164133.9 Ų133.986%0.85975%0.751SS**PPolyproline II helixtrans-72.7140.7165.9-77.7146.6000109.7
725P30.9Very low35.8Very low120 Ų120133.4 Ų133.478%0.77974%0.742SS**PPolyproline II helixtrans-83129.2177.322-11.8000111.1
726L35.6Very low36.3Very low179 Ų179136.6 Ų136.694%0.93774%0.738SS**PPolyproline II helixtrans-89.2120.5166.4-83.9154.9000109
727E33.5Very low36.4Very low193 Ų193136.3 Ų136.390%0.90274%0.741SS**PPolyproline II helixtrans-71.5151.7-179.8-64172143.700112.3
728G38.2Very low36.5Very low45 Ų45138.9 Ų138.946%0.46475%0.747SS.*  trans1624.5168.300000119.8
729Y39.3Very low36.6Very low129 Ų129135.5 Ų135.551%0.50674%0.737SS.*BIsolated β-bridgetrans-102.5119.6-177.5-165.5-101.1000112.6P731 Y736Y729-P731 VanDerWaalsContact O-CD 3.23Å; Y729-P731 WeakPolarHBondContact O-CD 3.39Å; Y729-Y736 HydrophobicContact CD2-CD2 4.3Å; Y729-Y736 HydrophobicContact CD2-CE2 4.01Å
730C38.9Very low36.7Very low46 Ų46135.9 Ų135.931%0.31174%0.741SS.*  trans-88.2106.2170.1162.20000109.9N732 C733 Q734C730-N732 PolarHBondContact O-N 2.77Å; C730-N732 VanDerWaalsContact O-N 3.15Å; C730-C733 HydrophobicContact CB-CB 4.48Å; C730-C733 WeakPolarHBondContact CB-SG 2.99Å; C730-C733 PolarHBondContact O-N 2.94Å; C730-C733 WeakPolarHBondContact SG-CB 3.44Å; C730-C733 PolarHBondContact SG-N 2.87Å; C730-C733 CovalentContact SG-SG 2.07Å; C730-C733 PolarHBondContact SG-SG 3.27Å; C730-Q734 PolarHBondContact O-N 2.84Å; C730-Q734 VanDerWaalsContact O-N 3.11Å
731P50.3Low36.9Very low112 Ų112135.2 Ų135.273%0.72774%0.737SS**THydrogen-bonded Turntrans-69.1-10.6-17926.4-33.6000114.2Y729Y729-P731 VanDerWaalsContact O-CD 3.23Å; Y729-P731 WeakPolarHBondContact O-CD 3.39Å
732N46.5Very low37Very low163 Ų163132.6 Ų132.687%0.87273%0.732SS**THydrogen-bonded Turntrans-91.6-11.3177.8-147.330.1000113.2C730C730-N732 PolarHBondContact O-N 2.77Å; C730-N732 VanDerWaalsContact O-N 3.15Å
733C61.2Low37.1Very low70 Ų70129.3 Ų129.347%0.47373%0.73SS.*THydrogen-bonded Turntrans-134.7-2-171.958.80000115.2C730 C735C730-C733 HydrophobicContact CB-CB 4.48Å; C730-C733 WeakPolarHBondContact CB-SG 2.99Å; C730-C733 PolarHBondContact O-N 2.94Å; C730-C733 WeakPolarHBondContact SG-CB 3.44Å; C730-C733 PolarHBondContact SG-N 2.87Å; C730-C733 CovalentContact SG-SG 2.07Å; C730-C733 PolarHBondContact SG-SG 3.27Å; C733-C735 PolarHBondContact O-N 3.25Å; C733-C735 PolarHBondContact O-SG 2.79Å; C733-C735 VanDerWaalsContact O-SG 3.33Å
734Q45Very low37.4Very low159 Ų159126.1 Ų126.174%0.74373%0.726SS**  trans52.512174.4-63.4-1694.700116.8C730C730-Q734 PolarHBondContact O-N 2.84Å; C730-Q734 VanDerWaalsContact O-N 3.11Å
735C41.5Very low37.4Very low81 Ų81124.8 Ų124.855%0.54773%0.729SS.*  trans-111.2142.7178.7-59.70000111.9C733C733-C735 PolarHBondContact O-N 3.25Å; C733-C735 PolarHBondContact O-SG 2.79Å; C733-C735 VanDerWaalsContact O-SG 3.33Å
736Y38.8Very low37.5Very low183 Ų183127.1 Ų127.172%0.71874%0.735SS**BIsolated β-bridgetrans-77.4124.3161.2-94-93.9000108.3Y729 C738Y729-Y736 HydrophobicContact CD2-CD2 4.3Å; Y729-Y736 HydrophobicContact CD2-CE2 4.01Å; Y736-C738 PolarHBondContact O-N 3.09Å
737M32.4Very low37.1Very low179 Ų179126.9 Ų126.988%0.88273%0.731SS**PPolyproline II helixtrans-75.5117.4172.6-76.3-151.3-75.100109.9
738C31.3Very low37Very low121 Ų121126 Ų12682%0.81873%0.731SS**PPolyproline II helixtrans-83.2131.6152.3-158.90000107.6Y736 C740Y736-C738 PolarHBondContact O-N 3.09Å; C738-C740 PolarHBondContact O-N 2.83Å
739S31Very low36.5Very low101 Ų101128.4 Ų128.471%0.70674%0.741SS**SBendtrans-49.2123.9-174.243.40000114.3
740C29.9Very low36.3Very low123 Ų123126.9 Ų126.983%0.83175%0.749SS**  trans176.6103.7146-86.20000111.1C738C738-C740 PolarHBondContact O-N 2.83Å
741V31.4Very low36.1Very low134 Ų134133 Ų13381%0.81277%0.77SS**  trans68.496.1146.5-1600000121.1
742S31.5Very low35.3Very low101 Ų101135.6 Ų135.671%0.70677%0.772SS**  trans27.8113.5141.3650000124.4
743S33.4Very low34.6Very low118 Ų118135.9 Ų135.983%0.82577%0.772SS**  153.6146.3114.5-83.10000113.5
744P34.2Very low33.2Very low127 Ų127139.2 Ų139.283%0.82579%0.785SS**  trans-94.1149.6-169.137.1-31.7000113.4
745C30.2Very low32.7Very low137 Ų137139.6 Ų139.693%0.92679%0.791SS**  trans-122.1120.1177.5-1260000112.2
746D33.9Very low32.2Very low168 Ų168141.4 Ų141.490%0.89880%0.8SS**  trans-76.4151.1173.6-87.2-42.7000112.7
747M27.2Very low31.8Very low174 Ų174143.8 Ų143.886%0.85781%0.81SS**  trans-74.9136.1176.9-66.3-147.180.200113.7
748I31.5Very low31.9Very low175 Ų175143.2 Ų143.290%0.89781%0.805SS**  trans-143.8126.5145.9-58.8-176.1000110.9
749S28.2Very low32.1Very low96 Ų96143 Ų14367%0.67180%0.802SS**  trans-90.5143.1171.6151.40000110.8
750S34.5Very low32.3Very low97 Ų97145 Ų14568%0.67881%0.81SS**  160.6122.1125.4-72.50000114.8
751K34.4Very low32.4Very low174 Ų174146.2 Ų146.276%0.75781%0.808SS**  72.6116.4127.1-68.3-175.5172.4-173.50123.3
752E32.6Very low32.6Very low166 Ų166148 Ų14878%0.77681%0.814SS**  58.9113.6125.4-66.1172.8173.300119.8
753I33.3Very low32.9Very low170 Ų170152.4 Ų152.487%0.87282%0.816SS**  -145.1124.8128.6-79.8121.3000108
754D31.1Very low33.1Very low139 Ų139157.2 Ų157.274%0.74382%0.822SS**  trans-93.4143.3175.1-162.76.2000108.6
755L34.7Very low33Very low167 Ų167157.2 Ų157.287%0.87482%0.815SS**  trans-172.9109157.3-101160.7000111.6
756T30.6Very low33.4Very low120 Ų120159.6 Ų159.674%0.73681%0.813SS**  trans-70.1144.7175.148.90000114.7
757Y31.5Very low33.5Very low232 Ų232160.7 Ų160.791%0.9181%0.809SS**  trans-158.6133.6142.2-165.1-100.7000111.7
758E34.2Very low33.9Very low168 Ų168159.6 Ų159.679%0.78581%0.807SS**  trans-83163-173.4-86.6-167.2167.800114.9
759P35.5Very low34.1Very low116 Ų116158.4 Ų158.475%0.75381%0.808SS**  trans-97.8168.8-166.439-32000113.8
760T34.6Very low34.4Very low142 Ų142157.3 Ų157.387%0.87181%0.811SS**  trans-126.8126.9167.447.40000110.7
761D31.4Very low34.2Very low149 Ų149160.5 Ų160.580%0.79782%0.816SS**  trans-56.9145.8173.6-62.4-52.8000113.3
762D35.3Very low34.3Very low173 Ų173160.1 Ų160.193%0.92582%0.821SS**  trans-146.3128.2145.2-101.5-28000111.1
763Y38.8Very low34.2Very low193 Ų193160 Ų16076%0.75782%0.818SS**  trans-64.2139.7-178.7-114.9-105000113.3
764F36.3Very low34.3Very low219 Ų219157.9 Ų157.996%0.96181%0.812SS**  trans-150.4122141.9-100.1-78.8000110.8
765D33.8Very low34.3Very low127 Ų127157.4 Ų157.468%0.67981%0.81SS**  trans-96.8140.2174.7-125.4-23.4000108.7
766E39Very low34.6Very low186 Ų186157.5 Ų157.587%0.86981%0.806SS**  trans170.698.5150.2-99.7176.6-176.600108.1
767K35Very low35.2Very low191 Ų191159.7 Ų159.783%0.8381%0.808SS**  64.9134.989.1-80-169.2178.8179.20116.7
768D35.4Very low35.7Very low151 Ų151156.3 Ų156.381%0.80780%0.798SS**  trans89.189.3166-65.8-16.1000119
769V36.9Very low36.2Very low151 Ų151153.7 Ų153.792%0.91579%0.789SS**  -148.6121.9126.7-1730000108.6
770G32.9Very low36.7Very low72 Ų72155.3 Ų155.374%0.74279%0.787SS**  trans-77.5149.6-172.600000115.3
771E31.5Very low37.3Very low164 Ų164154.9 Ų154.977%0.76678%0.775SS**  trans-62.9130.4173.4-66.4175.2132.500112.5
772L35.1Very low38.1Very low166 Ų166155.7 Ų155.787%0.86977%0.767SS**  trans-103.999.3154.7-86.7162.6000107.6
773K32.3Very low38.7Very low164 Ų164154.1 Ų154.171%0.71375%0.754SS**  trans-79.1112163.4-75.8179.2177.2173.40107.9
774V35.5Very low39.2Very low125 Ų125147.6 Ų147.676%0.75874%0.74SS**  trans-97.5131.7165.5178.20000107.1E776V774-E776 PolarHBondContact O-N 3.01Å
775N30.6Very low39.9Very low130 Ų130143.8 Ų143.870%0.69573%0.725SS**  trans-71.8111.9-166.5-55.5-46.3000111.7
776E40.7Very low40.8Very low169 Ų169143.4 Ų143.479%0.7972%0.719SS**  trans-91.82.3168.2-73.1179.2155.200112.7V774 F778V774-E776 PolarHBondContact O-N 3.01Å; E776-F778 PolarHBondContact O-N 2.89Å
777E42.1Very low41.3Very low166 Ų166140.5 Ų140.578%0.77671%0.706SS**THydrogen-bonded Turntrans-86.43.2-175.2-76.5-178.1158.600115.2
778F42.3Very low42Very low161 Ų161138.2 Ų138.271%0.70670%0.698SS**THydrogen-bonded Turntrans-104.9-15.4-179.2-103.1-91.4000115.1E776E776-F778 PolarHBondContact O-N 2.89Å
779D44.6Very low42.5Very low112 Ų112137.4 Ų137.460%0.59969%0.689SS**Hα-helixtrans-90.7-29.5-179.3-71.2-38.8000112.3R782 E783D779-R782 PolarHBondContact O-N 2.9Å; D779-E783 PolarHBondContact O-N 2.8Å; D779-E783 VanDerWaalsContact O-N 3.15Å
780E46.4Very low43.2Very low151 Ų151134.2 Ų134.271%0.70667%0.67SS**Hα-helixtrans-70.9-31.8176.6-70.1-171.5160.400113.4R782 A784E780-R782 VanDerWaalsContact C-N 3.35Å; E780-A784 WeakPolarHBondContact O-CB 3.1Å; E780-A784 PolarHBondContact O-N 3.04Å
781E48Very low43.8Very low132 Ų132136.5 Ų136.562%0.61766%0.66SS**Hα-helixtrans-71.8-30175.1-74.3-171.7160.300111.8E785E781-E785 WeakPolarHBondContact O-CG 3.42Å; E781-E785 PolarHBondContact O-N 2.88Å; E781-E785 VanDerWaalsContact O-N 3.11Å
782R48.7Very low44.4Very low167 Ų167135.9 Ų135.963%0.6366%0.657SS**Hα-helixtrans-77.8-38.4179.2-158.7-179.3-159.9170.85112.7D779 E780 A784 E785 E786D779-R782 PolarHBondContact O-N 2.9Å; E780-R782 VanDerWaalsContact C-N 3.35Å; R782-A784 VanDerWaalsContact C-N 3.3Å; R782-E785 PolarHBondContact O-N 3.2Å; R782-E786 WeakPolarHBondContact O-CG 3.16Å; R782-E786 PolarHBondContact O-N 2.91Å
783E47Very low44.8Very low140 Ų140134.6 Ų134.665%0.65465%0.646SS**Hα-helixtrans-68.3-30.6172.8-71.6-168.3162.600112D779 E787D779-E783 PolarHBondContact O-N 2.8Å; D779-E783 VanDerWaalsContact O-N 3.15Å; E783-E787 WeakPolarHBondContact O-CB 3.47Å; E783-E787 PolarHBondContact O-N 3.15Å; E783-E787 VanDerWaalsContact O-N 3.09Å
784A48.6Very low45.2Very low55 Ų55133.3 Ų133.346%0.45565%0.645SS.*Hα-helixtrans-72.5-37.5174.400000113.1E780 R782 E787 E788E780-A784 WeakPolarHBondContact O-CB 3.1Å; E780-A784 PolarHBondContact O-N 3.04Å; R782-A784 VanDerWaalsContact C-N 3.3Å; A784-E787 PolarHBondContact O-N 3.19Å; A784-E788 PolarHBondContact O-N 3.27Å
785E52.5Low45.4Very low140 Ų140135.3 Ų135.365%0.65465%0.645SS**Hα-helixtrans-69.3-40.6174.8-75.6-177.9170.200111.9E781 R782 E787 E788 E789E781-E785 WeakPolarHBondContact O-CG 3.42Å; E781-E785 PolarHBondContact O-N 2.88Å; E781-E785 VanDerWaalsContact O-N 3.11Å; R782-E785 PolarHBondContact O-N 3.2Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 2.96Å; E785-E788 PolarHBondContact O-N 3.09Å; E785-E789 PolarHBondContact O-N 3.44Å
786E52Low45.8Very low119 Ų119139 Ų13956%0.55665%0.651SS**Hα-helixtrans-66.6-31.1174-73.8-176.7-176.800112.3R782 V790R782-E786 WeakPolarHBondContact O-CG 3.16Å; R782-E786 PolarHBondContact O-N 2.91Å; E786-V790 WeakPolarHBondContact O-CB 3.37Å; E786-V790 WeakPolarHBondContact O-CG2 3.37Å; E786-V790 PolarHBondContact O-N 2.99Å
787E49.5Very low45.6Very low124 Ų124137.9 Ų137.958%0.57965%0.65SS**Hα-helixtrans-75.3-22.4174.2-91-151.9-170.900114.9E783 A784 E785 K791E783-E787 WeakPolarHBondContact O-CB 3.47Å; E783-E787 PolarHBondContact O-N 3.15Å; E783-E787 VanDerWaalsContact O-N 3.09Å; A784-E787 PolarHBondContact O-N 3.19Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 2.96Å; E787-K791 WeakPolarHBondContact O-CD 3.28Å; E787-K791 VanDerWaalsContact O-CG 3.26Å; E787-K791 WeakPolarHBondContact O-CG 3.29Å; E787-K791 PolarHBondContact O-NZ 3.37Å; E787-K791 IonicContact OE2-NZ 2.75Å; E787-K791 PolarHBondContact OE2-NZ 3.3Å
788E49.5Very low45.3Very low143 Ų143138.4 Ų138.467%0.66866%0.655SS**Hα-helixtrans-83.6-38.7171.7-85.7-163.4154.700111.6A784 E785 V790 K791 E792A784-E788 PolarHBondContact O-N 3.27Å; E785-E788 PolarHBondContact O-N 3.09Å; E788-V790 PolarHBondContact O-N 2.89Å; E788-K791 PolarHBondContact O-N 3.17Å; E788-K791 VanDerWaalsContact O-N 3.12Å; E788-E792 PolarHBondContact O-N 3.1Å
789E46.7Very low44.8Very low134 Ų134134.9 Ų134.963%0.62666%0.656SS**Hα-helixtrans-64-39.7176.5-125178.3-175.600111.8E785 K791 E792 E793E785-E789 PolarHBondContact O-N 3.44Å; E789-K791 VanDerWaalsContact C-N 3.31Å; E789-K791 PolarHBondContact O-N 3.39Å; E789-E792 PolarHBondContact O-N 3.4Å; E789-E793 PolarHBondContact O-N 3.41Å
790V50.6Low44.3Very low85 Ų85137.2 Ų137.252%0.51567%0.668SS.*Hα-helixtrans-68.4-28.6174.8174.20000112E786 E788 M794E786-V790 WeakPolarHBondContact O-CB 3.37Å; E786-V790 WeakPolarHBondContact O-CG2 3.37Å; E786-V790 PolarHBondContact O-N 2.99Å; E788-V790 PolarHBondContact O-N 2.89Å; V790-M794 HydrophobicContact CG1-SD 4.39Å; V790-M794 WeakPolarHBondContact O-CB 3.37Å; V790-M794 WeakPolarHBondContact O-CG 3.33Å; V790-M794 PolarHBondContact O-N 3.43Å
791K46.2Very low43.7Very low120 Ų120139.1 Ų139.152%0.52268%0.677SS.*Hα-helixtrans-78.9-32175.9-75.7173.5-166.4120.40112.3E787 E788 E789 H795E787-K791 WeakPolarHBondContact O-CD 3.28Å; E787-K791 VanDerWaalsContact O-CG 3.26Å; E787-K791 WeakPolarHBondContact O-CG 3.29Å; E787-K791 PolarHBondContact O-NZ 3.37Å; E787-K791 IonicContact OE2-NZ 2.75Å; E787-K791 PolarHBondContact OE2-NZ 3.3Å; E788-K791 PolarHBondContact O-N 3.17Å; E788-K791 VanDerWaalsContact O-N 3.12Å; E789-K791 VanDerWaalsContact C-N 3.31Å; E789-K791 PolarHBondContact O-N 3.39Å; K791-H795 PolarHBondContact O-N 2.71Å
792E43.3Very low43.2Very low150 Ų150143.4 Ų143.470%0.70169%0.689SS**Hα-helixtrans-75.9-36.9174.3-76.6-165.8148.300112.7E788 E789 H795E788-E792 PolarHBondContact O-N 3.1Å; E789-E792 PolarHBondContact O-N 3.4Å; E792-H795 PolarHBondContact O-N 3.16Å
793E43.8Very low42.5Very low139 Ų139141 Ų14165%0.6570%0.695SS**Hα-helixtrans-70.9-29.2173.7-76.5-164149.400113.3E789 H795E789-E793 PolarHBondContact O-N 3.41Å; E793-H795 VanDerWaalsContact C-N 3.28Å; E793-H795 PolarHBondContact O-N 3.33Å
794M39.7Very low41.8Very low138 Ų138143.6 Ų143.668%0.6871%0.706SS**Hα-helixtrans-72.2-20172.8-78.6-171.273.300113.4V790V790-M794 HydrophobicContact CG1-SD 4.39Å; V790-M794 WeakPolarHBondContact O-CB 3.37Å; V790-M794 WeakPolarHBondContact O-CG 3.33Å; V790-M794 PolarHBondContact O-N 3.43Å
795H40.7Very low41.1Very low166 Ų166149.4 Ų149.477%0.76972%0.724SS**THydrogen-bonded Turntrans-90.2-5.4-179.1-140.2-69.7000113.6K791 E792 E793K791-H795 PolarHBondContact O-N 2.71Å; E792-H795 PolarHBondContact O-N 3.16Å; E793-H795 VanDerWaalsContact C-N 3.28Å; E793-H795 PolarHBondContact O-N 3.33Å
796Y38.8Very low40.2Very low207 Ų207148.3 Ų148.381%0.81273%0.73SS**SBendtrans-112-2-179.8-113.2-87.7000115.6
797N35.7Very low39.3Very low146 Ų146154.5 Ų154.578%0.78175%0.75SS**SBendtrans-116.118.5-179.5-77.3-46.8000114.8
798M35.9Very low38.5Very low178 Ų178151.5 Ų151.588%0.87775%0.752SS**  trans-107.823.9-172.9-145.3173.2165.700114.1
799A33.3Very low37.5Very low87 Ų87153.9 Ų153.972%0.71976%0.763SS**  trans-114.96-17200000116.5
800D33.4Very low36.9Very low160 Ų160155.5 Ų155.586%0.85677%0.772SS**  trans-114.491.3173.7-76.6-35.4000111.3
801E34.3Very low36Very low192 Ų192157.6 Ų157.690%0.89779%0.785SS**PPolyproline II helixtrans-65.4121.9172.8-76175.8132.700111.7
802Y36.5Very low35.5Very low222 Ų222160.8 Ų160.887%0.87180%0.799SS**PPolyproline II helixtrans-92.9123.9157.1-88.6-89.8000109.3H804Y802-H804 PolarHBondContact O-N 3.41Å
803P35Very low34.8Very low115 Ų115157.1 Ų157.175%0.74780%0.802SS**PPolyproline II helixtrans-76.4123.5-179.229.2-30.4000110.6E805P803-E805 PolarHBondContact O-N 3.45Å
804H31.8Very low34.5Very low195 Ų195158.7 Ų158.790%0.90381%0.814SS**  trans-69.2108.7162.9-102.8-78.6000109.1Y802Y802-H804 PolarHBondContact O-N 3.41Å
805E33.7Very low34.4Very low177 Ų177161.2 Ų161.283%0.82782%0.824SS**  trans-80.5130.1167-79.8-163.8162.500111.1P803P803-E805 PolarHBondContact O-N 3.45Å
806P33.4Very low33.8Very low118 Ų118162.6 Ų162.677%0.76683%0.831SS**  trans-82.8136165.833.6-27.5000109.1G808P806-G808 PolarHBondContact O-N 2.86Å
807Y33.9Very low33.7Very low249 Ų249158.4 Ų158.498%0.97683%0.832SS**  trans-60.6107.8168.5-88.2-92.9000109.9
808G31.5Very low33.5Very low61 Ų61159.7 Ų159.763%0.62983%0.833SS**  trans-120.5144.2168.800000110.3P806 M810P806-G808 PolarHBondContact O-N 2.86Å; G808-M810 PolarHBondContact O-N 2.95Å
809E29.4Very low33.5Very low192 Ų192156.7 Ų156.790%0.89783%0.827SS**  trans-42.1123.1179.7-69.8168.1127.600113.8V811E809-V811 PolarHBondContact O-N 3.45Å
810M33.3Very low33.6Very low168 Ų168160 Ų16083%0.82883%0.827SS**  trans-88.697.5163.4-77.5-156-67.300109.8G808G808-M810 PolarHBondContact O-N 2.95Å
811V32.1Very low33.7Very low130 Ų130158.8 Ų158.879%0.78882%0.821SS**  trans-74.3116.5159.61760000107.9E809 G813E809-V811 PolarHBondContact O-N 3.45Å; V811-G813 PolarHBondContact O-N 3.01Å
812F35.3Very low33.7Very low186 Ų186155.9 Ų155.982%0.81681%0.812SS**  trans-73114.6168.3-93.3-91.7000109.5
813G30.1Very low33.7Very low73 Ų73152.3 Ų152.375%0.75381%0.807SS**PPolyproline II helixtrans-75.1125.6168.500000111V811V811-G813 PolarHBondContact O-N 3.01Å
814L36.4Very low33.6Very low172 Ų172152.5 Ų152.590%0.90181%0.806SS**PPolyproline II helixtrans-102.2139.2167.3-78.8170.6000109.6
815E37Very low33.9Very low192 Ų192149.4 Ų149.490%0.89781%0.806SS**PPolyproline II helixtrans-59.1146.8-175.3-69.1169.7141.700114.3
816E29.5Very low34Very low195 Ų195150 Ų15091%0.91181%0.809SS**PPolyproline II helixtrans-65.1136.1-178.6-63.2168.4150.300113.3
817S37.1Very low34Very low118 Ų118150 Ų15083%0.82581%0.809SS**  trans-158.8107145.144.30000110.3
818E29.7Very low34.1Very low173 Ų173143.5 Ų143.581%0.80880%0.8SS**  trans-74.5161.4163.5-53.3-164.5139.300110.4
819P37.3Very low34.3Very low115 Ų115146 Ų14675%0.74781%0.807SS**  -145.7147.178.331.7-10.4000116.9
820E34Very low34.7Very low156 Ų156144.9 Ų144.973%0.72981%0.805SS**  trans34117.9131.8-54.9-174.9161.200120.4
821N35.5Very low34.8Very low135 Ų135142.4 Ų142.472%0.72280%0.803SS**  170.3124.597.6-106.2-27.9000114
822D34.5Very low34.6Very low132 Ų132143.5 Ų143.571%0.70681%0.805SS**  60.5107.8123.1-104.72.1000121
823L38Very low34.5Very low146 Ų146142.3 Ų142.376%0.76481%0.806SS**  162.4107.7105.1-83.9163.1000113.6
824T32.2Very low34.5Very low120 Ų120147 Ų14774%0.73681%0.809SS**  trans7.4127.8137.452.40000120.9
825S38.3Very low34.4Very low129 Ų129150 Ų15090%0.90281%0.809SS**  -179.5153.8119.340.40000113
826E35.6Very low34.2Very low191 Ų191147.5 Ų147.589%0.89380%0.802SS**  trans-78.5171-150.8-82.4-165.8152.700119.3
827P34.4Very low34.3Very low118 Ų118146.7 Ų146.777%0.76680%0.803SS**  trans-103163.9-16239.2-30000114.3
828S34.5Very low34.1Very low111 Ų111145.9 Ų145.978%0.77680%0.797SS**  trans-157.5143.3161.643.90000113.5
829S37.2Very low34.2Very low113 Ų113146.5 Ų146.579%0.7980%0.8SS**  trans78.4139.9170.878.40000117.4
830M36.1Very low34.1Very low170 Ų170147.1 Ų147.184%0.83780%0.803SS**  cis-170.6151.7-17.5-103.7-157.3-4100105.2
831S35.3Very low34.2Very low115 Ų115145.1 Ų145.180%0.80481%0.807SS**  trans6699.8159.757.40000120.3
832N28.4Very low34Very low154 Ų154146.4 Ų146.482%0.82481%0.813SS**  trans-58.1144.4142-62.8-42.4000110.7
833L33.2Very low33.8Very low160 Ų160147.6 Ų147.684%0.83882%0.819SS**  -167143.3123.3-126.982.7000111.1
834E30.7Very low33.6Very low172 Ų172147.7 Ų147.780%0.80482%0.82SS**  trans-50.1151.9174.5-65.3146.4143.400113.4
835Y33.8Very low33.6Very low234 Ų234150.2 Ų150.292%0.91883%0.828SS**  trans-133.4123.3154.6-115.3-86.4000111.8
836D33.8Very low33.3Very low140 Ų140150.2 Ų150.275%0.74982%0.824SS**  trans-50.5145.9171.3-89.3-52.1000114S838D836-S838 PolarHBondContact O-N 3.35Å
837I29.9Very low32.9Very low179 Ų179151 Ų15192%0.91882%0.824SS**  trans-82.2107.9160.5-62.6170.8000106.5
838S34Very low32.8Very low100 Ų100153.8 Ų153.870%0.69983%0.827SS**  trans-124.8142.2173.1-49.50000110.3D836D836-S838 PolarHBondContact O-N 3.35Å
839E31.8Very low32.8Very low187 Ų187156.6 Ų156.687%0.87483%0.834SS**PPolyproline II helixtrans-55.3154.7-173.3-58.9173.6138.200115.3
840P35.9Very low32.6Very low127 Ų127160.7 Ų160.783%0.82584%0.84SS**PPolyproline II helixtrans-85.4116.316132.4-24.9000109.9
841S34.9Very low32.6Very low114 Ų114162 Ų16280%0.79784%0.844SS**PPolyproline II helixtrans-65.6135.2165.547.70000111.2
842L31.1Very low32.6Very low162 Ų162165.6 Ų165.685%0.84885%0.848SS**PPolyproline II helixtrans-57.9131.2154.4-97.688.3000108.5
843D31.4Very low32.5Very low157 Ų157166 Ų16684%0.8485%0.85SS**  trans17390.4145.3-85.9-22000107.8
844D34.1Very low32.5Very low148 Ų148165 Ų16579%0.79185%0.85SS**  trans-170.685.7155.4-116.4-10.3000109.4
845L31.2Very low32.4Very low173 Ų173166.5 Ų166.591%0.90686%0.857SS**  trans-136.790.9155.9-77.9-178.8000106.8
846T32.1Very low32.3Very low130 Ų130158.8 Ų158.880%0.79885%0.848SS**  trans-70.7127168.740.10000109.8
847F27.5Very low32.1Very low206 Ų206161.3 Ų161.390%0.90486%0.856SS**  trans-75120.6167.5-97.8-106.7000109.6
848E32.8Very low31.9Very low177 Ų177163.9 Ų163.983%0.82786%0.856SS**  trans-151.9112.4149.7-67.8-166.716700107.6
849D33.7Very low31.6Very low171 Ų171164.9 Ų164.991%0.91486%0.86SS**  trans-179.285.3146.1-87.4-21.1000107
850E33.2Very low31.5Very low198 Ų198161.1 Ų161.193%0.92585%0.854SS**  trans-84.5118.2163.8-71-168.5151.900108.4
851E36.8Very low31.1Very low197 Ų197163.7 Ų163.792%0.92185%0.853SS**  trans-124.5120.5158.5-92.7-171.3165.800111
852E33.9Very low30.9Very low191 Ų191168.5 Ų168.589%0.89385%0.853SS**  trans-9.4122.3173.3-71.2176.8142.900120.5
853L27.4Very low31.2Very low164 Ų164165 Ų16586%0.85984%0.842SS**  trans-64.9129.8157.2-73.6156.7000111.3
854T32.5Very low31.6Very low138 Ų138161.2 Ų161.285%0.84783%0.828SS**  trans-123.5131.3149.8490000109.6
855E28.9Very low32.2Very low204 Ų204158.7 Ų158.795%0.95382%0.815SS**  trans-71.3137.5-166-58.9173.5144.200113.2
856G31Very low33.3Very low71 Ų71154.9 Ų154.973%0.73279%0.794SS**  trans178.594.6169.300000114.4
857E29.5Very low34.8Very low193 Ų193152.1 Ų152.190%0.90278%0.78SS**  trans53.899.2156.7-64.9-177.6154.300119.8
858Y25.7Very low36.8Very low233 Ų233147.3 Ų147.391%0.91476%0.764SS**  trans-92.8126.2163.5-74.6-85.9000111.9
859P28.4Very low38.4Very low122 Ų122141 Ų14179%0.79274%0.739SS**  trans-105.3123.6159.4162.9000112.5
860S29.7Very low40.3Very low107 Ų107134.8 Ų134.875%0.74871%0.706SS**  trans6298.5151.5178.60000120.5
861F26.7Very low42.4Very low182 Ų182132.3 Ų132.380%0.79869%0.689SS**  trans-74.4111168.4-157.1-92.1000112.3
862R31.7Very low44.5Very low214 Ų214128.4 Ų128.481%0.80867%0.673SS**  trans-150.9126167.7-75.1-163.6172.4166.1-2.5115.6S864R862-S864 PolarHBondContact O-N 2.97Å; R862-S864 VanDerWaalsContact O-N 3.17Å
863S36.8Very low46.8Very low89 Ų89120.7 Ų120.762%0.62264%0.638SS**SBendtrans73.5-32.7151.7-55.60000122.4
864S40.9Very low49.6Very low77 Ų77116.6 Ų116.654%0.53861%0.611SS.*Hα-helixtrans-70.8-37.9-174.9510000114R862 I866 S867R862-S864 PolarHBondContact O-N 2.97Å; R862-S864 VanDerWaalsContact O-N 3.17Å; S864-I866 PolarHBondContact O-N 3.41Å; S864-S867 PolarHBondContact O-N 2.89Å
865D45.6Very low52.1Low96 Ų96115 Ų11551%0.51359%0.592SS.*Hα-helixtrans-73.1-31.2-171.1-63.6-24.1000113.3S867 N868 S869D865-S867 VanDerWaalsContact C-N 3.27Å; D865-S867 PolarHBondContact O-N 3.03Å; D865-N868 PolarHBondContact O-N 3.28Å; D865-S869 PolarHBondContact O-N 3.13Å; D865-S869 VanDerWaalsContact O-N 3.14Å; D865-S869 PolarHBondContact O-OG 3.26Å
866I55.2Low54.7Low92 Ų92109.5 Ų109.547%0.47257%0.566SS.*Hα-helixtrans-65.7-32.2177.7-58.6173.7000111S864 S869 M870 L903S864-I866 PolarHBondContact O-N 3.41Å; I866-S869 PolarHBondContact O-OG 2.85Å; I866-S869 VanDerWaalsContact O-OG 3.07Å; I866-M870 VanDerWaalsContact O-CB 3.29Å; I866-M870 WeakPolarHBondContact O-CB 3.19Å; I866-M870 PolarHBondContact O-N 3.27Å; I866-M870 VanDerWaalsContact O-N 3.16Å; I866-L903 HydrophobicContact CG2-CD1 3.49Å; I866-L903 VanDerWaalsContact CG2-CD1 3.49Å
867S63.1Low57.3Low72 Ų72106.1 Ų106.150%0.50353%0.532SS..Hα-helixtrans-76.3-36.3-178.7-64.90000111.9S864 D865 Y871S864-S867 PolarHBondContact O-N 2.89Å; D865-S867 VanDerWaalsContact C-N 3.27Å; D865-S867 PolarHBondContact O-N 3.03Å; S867-Y871 WeakPolarHBondContact O-CB 3.3Å; S867-Y871 PolarHBondContact O-N 3.43Å
868N70.3Confident60Low106 Ų10697.9 Ų97.957%0.56750%0.495SS*.Hα-helixtrans-70.3-42.7176.4-83.7-24.8000112.2D865 Y871 L872D865-N868 PolarHBondContact O-N 3.28Å; N868-Y871 PolarHBondContact O-N 2.91Å; N868-L872 WeakPolarHBondContact O-CG 3.27Å; N868-L872 PolarHBondContact O-N 3.4Å; N868-L872 VanDerWaalsContact O-N 3.14Å
869S66.4Low62.9Low44 Ų4491.4 Ų91.431%0.30848%0.475SS..Hα-helixtrans-62.1-45.717566.30000111D865 I866 Y871 L872 I873D865-S869 PolarHBondContact O-N 3.13Å; D865-S869 VanDerWaalsContact O-N 3.14Å; D865-S869 PolarHBondContact O-OG 3.26Å; I866-S869 PolarHBondContact O-OG 2.85Å; I866-S869 VanDerWaalsContact O-OG 3.07Å; S869-Y871 VanDerWaalsContact C-N 3.33Å; S869-Y871 PolarHBondContact O-N 2.81Å; S869-L872 PolarHBondContact O-N 2.75Å; S869-I873 WeakPolarHBondContact O-CG1 3.41Å; S869-I873 PolarHBondContact O-N 2.91Å
870M73.6Confident65.6Low41 Ų4186.7 Ų86.720%0.20244%0.443CS..Hα-helixtrans-63.1-36.7178.4-173.9157.660.200112.6I866 R874 L903I866-M870 VanDerWaalsContact O-CB 3.29Å; I866-M870 WeakPolarHBondContact O-CB 3.19Å; I866-M870 PolarHBondContact O-N 3.27Å; I866-M870 VanDerWaalsContact O-N 3.16Å; M870-R874 HydrophobicContact CG-CG 4.45Å; M870-R874 WeakPolarHBondContact O-CB 3.48Å; M870-R874 VanDerWaalsContact O-CG 3.28Å; M870-R874 WeakPolarHBondContact O-CG 3.35Å; M870-R874 PolarHBondContact O-N 2.83Å; M870-L903 HydrophobicContact SD-CG 4.44Å
871Y77.2Confident68.3Low146 Ų14681.6 Ų81.657%0.57341%0.407SS*.Hα-helixtrans-63.8-47.2175.2175.8-96000112.3S867 N868 S869 R874 K875S867-Y871 WeakPolarHBondContact O-CB 3.3Å; S867-Y871 PolarHBondContact O-N 3.43Å; N868-Y871 PolarHBondContact O-N 2.91Å; S869-Y871 VanDerWaalsContact C-N 3.33Å; S869-Y871 PolarHBondContact O-N 2.81Å; Y871-R874 PolarHBondContact O-N 2.82Å; Y871-K875 HydrophobicContact CE1-CD 4.35Å; Y871-K875 WeakPolarHBondContact O-CB 3.34Å; Y871-K875 PolarHBondContact O-N 3.23Å
872L81.1Confident71.1Confident114 Ų11479.2 Ų79.260%0.59739%0.393SS*.Hα-helixtrans-64.3-43.7-180-70.2172.8000111.6N868 S869 K875 H876N868-L872 WeakPolarHBondContact O-CG 3.27Å; N868-L872 PolarHBondContact O-N 3.4Å; N868-L872 VanDerWaalsContact O-N 3.14Å; S869-L872 PolarHBondContact O-N 2.75Å; L872-K875 PolarHBondContact O-N 2.87Å; L872-H876 PolarHBondContact O-N 3.33Å
873I81.7Confident73.4Confident29 Ų2977.5 Ų77.515%0.14939%0.386CS..Hα-helixtrans-63.5-46.4177.7-66.1165.7000110.8S869 K875 H876 L877 E898 I907S869-I873 WeakPolarHBondContact O-CG1 3.41Å; S869-I873 PolarHBondContact O-N 2.91Å; I873-K875 VanDerWaalsContact C-N 3.33Å; I873-K875 PolarHBondContact O-N 2.79Å; I873-H876 PolarHBondContact O-N 3.23Å; I873-L877 HydrophobicContact CG2-CD1 3.79Å; I873-L877 WeakPolarHBondContact O-CB 3.45Å; I873-L877 PolarHBondContact O-N 3.24Å; I873-E898 WeakPolarHBondContact CD1-OE2 3.4Å; I873-I907 HydrophobicContact CD1-CD1 4.4Å; I873-I907 HydrophobicContact CG2-CD1 3.97Å; I873-I907 HydrophobicContact CG2-CG2 4.32Å
874R85.9Confident75.2Confident79 Ų7979.1 Ų79.130%0.29840%0.395SS..Hα-helixtrans-61.7-39176.2-76.1-179179179.81112.2M870 Y871 S878 W910M870-R874 HydrophobicContact CG-CG 4.45Å; M870-R874 WeakPolarHBondContact O-CB 3.48Å; M870-R874 VanDerWaalsContact O-CG 3.28Å; M870-R874 WeakPolarHBondContact O-CG 3.35Å; M870-R874 PolarHBondContact O-N 2.83Å; Y871-R874 PolarHBondContact O-N 2.82Å; R874-S878 WeakPolarHBondContact O-CB 3.4Å; R874-S878 PolarHBondContact O-N 3.45Å; R874-W910 HydrophobicContact CB-CE3 4.46Å; R874-W910 HydrophobicContact CB-CH2 4.03Å; R874-W910 HydrophobicContact CB-CZ2 4.19Å; R874-W910 HydrophobicContact CB-CZ3 4.17Å; R874-W910 HydrophobicContact CG-CD2 4.01Å; R874-W910 HydrophobicContact CG-CE3 3.98Å; R874-W910 HydrophobicContact CG-CH2 4.39Å; R874-W910 HydrophobicContact CG-CZ2 4.42Å; R874-W910 HydrophobicContact CG-CZ3 4.18Å; R874-W910 VanDerWaalsContact O-CH2 3.23Å; R874-W910 WeakPolarHBondContact O-CH2 3.37Å
875K84.8Confident76.7Confident103 Ų10377.6 Ų77.645%0.44839%0.391SS..Hα-helixtrans-62.3-45.2176.1-174179.5178.3-177.40111.3Y871 L872 I873 S878 M879Y871-K875 HydrophobicContact CE1-CD 4.35Å; Y871-K875 WeakPolarHBondContact O-CB 3.34Å; Y871-K875 PolarHBondContact O-N 3.23Å; L872-K875 PolarHBondContact O-N 2.87Å; I873-K875 VanDerWaalsContact C-N 3.33Å; I873-K875 PolarHBondContact O-N 2.79Å; K875-S878 PolarHBondContact O-N 2.69Å; K875-M879 PolarHBondContact O-N 3.32Å
876H83.8Confident78.1Confident89 Ų8983.3 Ų83.341%0.41241%0.406SS..Hα-helixtrans-68.3-44.1179.2-149.5-98.3000112L872 I873 S878 M879 L880 L894L872-H876 PolarHBondContact O-N 3.33Å; I873-H876 PolarHBondContact O-N 3.23Å; H876-S878 VanDerWaalsContact C-N 3.33Å; H876-S878 PolarHBondContact O-N 3.2Å; H876-M879 PolarHBondContact O-N 3.33Å; H876-L880 PolarHBondContact O-N 2.88Å; H876-L880 VanDerWaalsContact O-N 3.12Å; H876-L894 WeakPolarHBondContact ND1-CD1 3.29Å
877L86.4Confident79.3Confident0 Ų085.9 Ų85.90%042%0.42CS..Hα-helixtrans-59.2-41.2172.5-88.9160.7000112I873 M879 L880 I881 I891 I895 I907 W910I873-L877 HydrophobicContact CG2-CD1 3.79Å; I873-L877 WeakPolarHBondContact O-CB 3.45Å; I873-L877 PolarHBondContact O-N 3.24Å; L877-M879 VanDerWaalsContact C-N 3.31Å; L877-M879 PolarHBondContact O-N 3.04Å; L877-L880 PolarHBondContact O-N 2.86Å; L877-I881 HydrophobicContact CB-CD1 4.41Å; L877-I881 HydrophobicContact CD2-CD1 4.42Å; L877-I881 WeakPolarHBondContact O-CB 3.44Å; L877-I881 WeakPolarHBondContact O-CG1 3.38Å; L877-I881 PolarHBondContact O-N 3.1Å; L877-I891 HydrophobicContact CD2-CB 4.41Å; L877-I891 HydrophobicContact CD2-CG2 3.66Å; L877-I895 HydrophobicContact CD1-CG1 4.46Å; L877-I895 HydrophobicContact CD2-CD1 4.42Å; L877-I895 HydrophobicContact CD2-CG1 4.45Å; L877-I907 HydrophobicContact CD1-CG2 3.32Å; L877-W910 HydrophobicContact CB-CZ3 3.87Å
878S85.2Confident80.2Confident20 Ų2084.6 Ų84.614%0.1441%0.405CS..Hα-helixtrans-59.8-41.3177.1-162.50000111.8R874 K875 H876 R882R874-S878 WeakPolarHBondContact O-CB 3.4Å; R874-S878 PolarHBondContact O-N 3.45Å; K875-S878 PolarHBondContact O-N 2.69Å; H876-S878 VanDerWaalsContact C-N 3.33Å; H876-S878 PolarHBondContact O-N 3.2Å; S878-R882 WeakPolarHBondContact O-CB 3.44Å; S878-R882 WeakPolarHBondContact O-CD 3.31Å; S878-R882 WeakPolarHBondContact O-CG 3.28Å; S878-R882 PolarHBondContact O-N 3.45Å; S878-R882 VanDerWaalsContact O-N 3.14Å; S878-R882 PolarHBondContact OG-NE 3.31Å
879M85.6Confident80.9Confident98 Ų9882.9 Ų82.948%0.48340%0.401SS..Hα-helixtrans-65-43.1176.7-68-168.9-62.900111.9K875 H876 L877 R882 R883K875-M879 PolarHBondContact O-N 3.32Å; H876-M879 PolarHBondContact O-N 3.33Å; L877-M879 VanDerWaalsContact C-N 3.31Å; L877-M879 PolarHBondContact O-N 3.04Å; M879-R882 PolarHBondContact O-N 3.49Å; M879-R883 PolarHBondContact O-N 2.97Å
880L85.9Confident81.7Confident22 Ų2285.9 Ų85.912%0.11541%0.413CS..Hα-helixtrans-70-41179.2-66.6174000112.6H876 L877 R882 R883 L890 I891 L894 R920H876-L880 PolarHBondContact O-N 2.88Å; H876-L880 VanDerWaalsContact O-N 3.12Å; L877-L880 PolarHBondContact O-N 2.86Å; L880-R882 PolarHBondContact O-N 3.03Å; L880-R883 PolarHBondContact O-N 2.82Å; L880-L890 HydrophobicContact CD1-CB 4.02Å; L880-L890 HydrophobicContact CD2-CB 4.47Å; L880-L890 HydrophobicContact CD2-CD1 4.25Å; L880-I891 HydrophobicContact CB-CD1 4.16Å; L880-I891 HydrophobicContact CB-CG1 3.73Å; L880-I891 HydrophobicContact CD1-CG1 4.19Å; L880-L894 HydrophobicContact CD1-CD1 3.39Å; L880-R920 PolarHBondContact O-NH1 3.24Å
881I87.4Confident82.2Confident0 Ų084.1 Ų84.10%041%0.405CS..Hα-helixtrans-65.3-20.9175.1-65.5167.6000111.4L877 I891 W910 A911 E914 A915 F918 R920 L923L877-I881 HydrophobicContact CB-CD1 4.41Å; L877-I881 HydrophobicContact CD2-CD1 4.42Å; L877-I881 WeakPolarHBondContact O-CB 3.44Å; L877-I881 WeakPolarHBondContact O-CG1 3.38Å; L877-I881 PolarHBondContact O-N 3.1Å; I881-I891 HydrophobicContact CG1-CD1 4.2Å; I881-W910 HydrophobicContact CD1-CZ3 4.47Å; I881-A911 HydrophobicContact CD1-CB 3.94Å; I881-E914 HydrophobicContact CD1-CB 4.37Å; I881-E914 HydrophobicContact CG2-CG 4.26Å; I881-A915 HydrophobicContact CG2-CB 4.29Å; I881-F918 HydrophobicContact CG2-CD2 4.31Å; I881-R920 WeakPolarHBondContact O-CD 3.14Å; I881-R920 PolarHBondContact O-NE 2.93Å; I881-R920 PolarHBondContact O-NH1 3.43Å; I881-R920 VanDerWaalsContact O-NH1 3.12Å; I881-R920 PolarHBondContact O-NH2 2.81Å; I881-R920 VanDerWaalsContact O-NH2 3.1Å; I881-L923 HydrophobicContact CG1-CD2 4.13Å; I881-L923 HydrophobicContact CG2-CD2 4.37Å
882R83.8Confident82.7Confident132 Ų13280 Ų8050%0.49839%0.39SS..Hα-helixtrans-89.1-24.9175.9-73.5173.9-171.8-164.71114.7S878 M879 L880 P884 E914 F918 R920S878-R882 WeakPolarHBondContact O-CB 3.44Å; S878-R882 WeakPolarHBondContact O-CD 3.31Å; S878-R882 WeakPolarHBondContact O-CG 3.28Å; S878-R882 PolarHBondContact O-N 3.45Å; S878-R882 VanDerWaalsContact O-N 3.14Å; S878-R882 PolarHBondContact OG-NE 3.31Å; M879-R882 PolarHBondContact O-N 3.49Å; L880-R882 PolarHBondContact O-N 3.03Å; R882-P884 WeakPolarHBondContact O-CD 3.39Å; R882-E914 IonicContact NH2-OE1 3.34Å; R882-F918 HydrophobicContact CG-CD1 4.43Å; R882-F918 HydrophobicContact CG-CD2 4.17Å; R882-F918 HydrophobicContact CG-CE1 3.95Å; R882-F918 HydrophobicContact CG-CE2 3.65Å; R882-F918 HydrophobicContact CG-CZ 3.56Å; R882-R920 PolarHBondContact O-NH2 3.15Å
883R80.8Confident82.9Confident178 Ų17879.1 Ų79.167%0.67239%0.386SS*.SBendtrans-72.5112.9-180-82.4-175.2171.2-173.3-2.1113.2M879 L880 G885 R920M879-R883 PolarHBondContact O-N 2.97Å; L880-R883 PolarHBondContact O-N 2.82Å; R883-G885 PolarHBondContact O-N 3.47Å; R883-R920 PolarHBondContact O-NH1 3.04Å; R883-R920 PolarHBondContact O-NH2 3.2Å
884P74.1Confident82.9Confident124 Ų12480.5 Ų80.581%0.80539%0.393SS*.  trans-61.3131.1-176.424.4-32.6000110.3R882 R920R882-P884 WeakPolarHBondContact O-CD 3.39Å; P884-R920 VanDerWaalsContact N-NH2 3.18Å
885G73.9Confident82.8Confident45 Ų4577.4 Ų77.446%0.46438%0.382SS..  trans173.1165.9-175.700000112.8R883 Y888R883-G885 PolarHBondContact O-N 3.47Å; G885-Y888 WeakPolarHBondContact O-CE1 3.21Å
886R73.9Confident82.7Confident215 Ų21582.2 Ų82.281%0.81140%0.398SS*.SBendtrans-102.7-13174-66.8-177.7-178.7176.71.4112.9
887D80.1Confident82.5Confident147 Ų14781 Ų8179%0.78641%0.408SS*.  trans-86.6115.4180-60.2-36.9000110.5
888Y83.4Confident82Confident44 Ų4483.2 Ų83.217%0.17342%0.419CS..  trans-111.45.2-176.8-49.3-44.5000112.7G885 L890 I891 F892 L923G885-Y888 WeakPolarHBondContact O-CE1 3.21Å; Y888-L890 PolarHBondContact O-N 2.83Å; Y888-I891 WeakPolarHBondContact O-CB 3.48Å; Y888-I891 PolarHBondContact O-N 2.89Å; Y888-F892 WeakPolarHBondContact O-CD2 3.43Å; Y888-F892 PolarHBondContact O-N 3.23Å; Y888-F892 VanDerWaalsContact O-N 3.13Å; Y888-L923 HydrophobicContact CD1-CB 4.47Å; Y888-L923 HydrophobicContact CD1-CD1 3.71Å; Y888-L923 HydrophobicContact CD2-CD1 4.14Å; Y888-L923 HydrophobicContact CE1-CB 4.13Å; Y888-L923 HydrophobicContact CE1-CD1 4.22Å; Y888-L923 HydrophobicContact CE2-CB 4.48Å; Y888-L923 HydrophobicContact CG-CD1 3.67Å
889S83.3Confident81.5Confident70 Ų7090.8 Ų90.849%0.4945%0.452SS..Hα-helixtrans-52-53.1-176.535.20000112.1I891 F892 D893S889-I891 PolarHBondContact O-N 3.43Å; S889-I891 VanDerWaalsContact O-N 3.16Å; S889-F892 PolarHBondContact O-N 3.14Å; S889-D893 VanDerWaalsContact O-CG 3.28Å; S889-D893 PolarHBondContact O-N 2.8Å
890L83Confident81.2Confident107 Ų10789.6 Ų89.656%0.5645%0.448SS*.Hα-helixtrans-58.4-32.5179.2-64.7174.9000113.6L880 Y888 L894L880-L890 HydrophobicContact CD1-CB 4.02Å; L880-L890 HydrophobicContact CD2-CB 4.47Å; L880-L890 HydrophobicContact CD2-CD1 4.25Å; Y888-L890 PolarHBondContact O-N 2.83Å; L890-L894 WeakPolarHBondContact O-CD1 3.5Å; L890-L894 WeakPolarHBondContact O-CG 3.12Å; L890-L894 PolarHBondContact O-N 3.11Å
891I85.3Confident81Confident5 Ų593.6 Ų93.63%0.02647%0.473CS..Hα-helixtrans-68.8-45.5176.7-64.8175.5000109.5L877 L880 I881 Y888 S889 I895 L923 L927L877-I891 HydrophobicContact CD2-CB 4.41Å; L877-I891 HydrophobicContact CD2-CG2 3.66Å; L880-I891 HydrophobicContact CB-CD1 4.16Å; L880-I891 HydrophobicContact CB-CG1 3.73Å; L880-I891 HydrophobicContact CD1-CG1 4.19Å; I881-I891 HydrophobicContact CG1-CD1 4.2Å; Y888-I891 WeakPolarHBondContact O-CB 3.48Å; Y888-I891 PolarHBondContact O-N 2.89Å; S889-I891 PolarHBondContact O-N 3.43Å; S889-I891 VanDerWaalsContact O-N 3.16Å; I891-I895 HydrophobicContact CG2-CD1 4.02Å; I891-I895 WeakPolarHBondContact O-CD1 3.36Å; I891-I895 VanDerWaalsContact O-CG1 3.28Å; I891-I895 WeakPolarHBondContact O-CG1 3.43Å; I891-I895 PolarHBondContact O-N 3.29Å; I891-L923 HydrophobicContact CD1-CD1 3.99Å; I891-L923 HydrophobicContact CD1-CD2 3.9Å; I891-L927 HydrophobicContact CG2-CD2 4.34Å
892F87.1Confident80.7Confident58 Ų5898.1 Ų98.125%0.25450%0.501SS..Hα-helixtrans-69.5-35.8178.6-72.4-67.6000112.4Y888 S889 I895 R896 A926 L927 C930Y888-F892 WeakPolarHBondContact O-CD2 3.43Å; Y888-F892 PolarHBondContact O-N 3.23Å; Y888-F892 VanDerWaalsContact O-N 3.13Å; S889-F892 PolarHBondContact O-N 3.14Å; F892-I895 PolarHBondContact O-N 2.97Å; F892-R896 WeakPolarHBondContact O-CB 3.46Å; F892-R896 PolarHBondContact O-N 3.43Å; F892-A926 HydrophobicContact CE2-CB 4.45Å; F892-A926 HydrophobicContact CZ-CB 3.89Å; F892-L927 HydrophobicContact CE1-CD2 3.86Å; F892-L927 HydrophobicContact CZ-CD2 4.2Å; F892-C930 WeakPolarHBondContact CE1-SG 3.41Å
893D85.6Confident80.5Confident96 Ų9692.5 Ų92.551%0.51348%0.481SS..Hα-helixtrans-65.6-42177.9-65.6-27.9000111.7S889 I895 R896 G897S889-D893 VanDerWaalsContact O-CG 3.28Å; S889-D893 PolarHBondContact O-N 2.8Å; D893-I895 VanDerWaalsContact C-N 3.32Å; D893-I895 PolarHBondContact O-N 3.17Å; D893-R896 PolarHBondContact O-N 3.2Å; D893-G897 PolarHBondContact O-N 3.06Å
894L82.1Confident80.7Confident58 Ų5888 Ų8830%0.30446%0.464SS..Hα-helixtrans-62.4-37.9173.4-79.4160.8000112.6H876 L880 L890H876-L894 WeakPolarHBondContact ND1-CD1 3.29Å; L880-L894 HydrophobicContact CD1-CD1 3.39Å; L890-L894 WeakPolarHBondContact O-CD1 3.5Å; L890-L894 WeakPolarHBondContact O-CG 3.12Å; L890-L894 PolarHBondContact O-N 3.11Å
895I83.3Confident81.2Confident14 Ų1489.8 Ų89.87%0.07245%0.454CS..Hα-helixtrans-72-35.1176.9-67.2166000110.9L877 I891 F892 D893 R904 I907 V908 L927L877-I895 HydrophobicContact CD1-CG1 4.46Å; L877-I895 HydrophobicContact CD2-CD1 4.42Å; L877-I895 HydrophobicContact CD2-CG1 4.45Å; I891-I895 HydrophobicContact CG2-CD1 4.02Å; I891-I895 WeakPolarHBondContact O-CD1 3.36Å; I891-I895 VanDerWaalsContact O-CG1 3.28Å; I891-I895 WeakPolarHBondContact O-CG1 3.43Å; I891-I895 PolarHBondContact O-N 3.29Å; F892-I895 PolarHBondContact O-N 2.97Å; D893-I895 VanDerWaalsContact C-N 3.32Å; D893-I895 PolarHBondContact O-N 3.17Å; I895-R904 HydrophobicContact CG2-CG 3.86Å; I895-R904 WeakPolarHBondContact O-CD 3.38Å; I895-R904 WeakPolarHBondContact O-CG 3.41Å; I895-R904 PolarHBondContact O-NE 3.1Å; I895-I907 HydrophobicContact CG1-CG2 4.32Å; I895-V908 HydrophobicContact CD1-CG2 4.24Å; I895-V908 HydrophobicContact CG2-CG2 3.51Å; I895-L927 HydrophobicContact CD1-CD2 3.74Å
896R82.6Confident81.7Confident205 Ų20592 Ų9277%0.77446%0.455SS*.Hα-helixtrans-75.2-28-179.2-132.5175.4-169.1-177.21.6113F892 D893 E898F892-R896 WeakPolarHBondContact O-CB 3.46Å; F892-R896 PolarHBondContact O-N 3.43Å; D893-R896 PolarHBondContact O-N 3.2Å; R896-E898 VanDerWaalsContact C-N 3.3Å; R896-E898 PolarHBondContact O-N 2.87Å
897G79Confident82.3Confident62 Ų6281.9 Ų81.964%0.63942%0.417SS*.SBendtrans-68.7-22179.600000114.8D893 E899D893-G897 PolarHBondContact O-N 3.06Å; G897-E899 PolarHBondContact O-N 3.02Å
898E76.4Confident82.7Confident47 Ų4775.4 Ų75.422%0.2238%0.383CS..  trans-80.3118-179.5-167.760.7-134.900110.9I873 R896 L903 R904 I907I873-E898 WeakPolarHBondContact CD1-OE2 3.4Å; R896-E898 VanDerWaalsContact C-N 3.3Å; R896-E898 PolarHBondContact O-N 2.87Å; E898-L903 HydrophobicContact CG-CB 4.25Å; E898-L903 HydrophobicContact CG-CD2 4Å; E898-R904 PolarHBondContact O-NE 2.87Å; E898-R904 PolarHBondContact O-NH2 3.4Å; E898-I907 HydrophobicContact CG-CD1 4.43Å
899E74.3Confident82.9Confident179 Ų17975.7 Ų75.784%0.83639%0.391SS*.  trans-73.4-29.8-175-66.3-170.7169.300113.7G897 V901G897-E899 PolarHBondContact O-N 3.02Å; E899-V901 PolarHBondContact O-N 3.45Å
900D81.2Confident83.1Confident73 Ų7375 Ų7539%0.3938%0.377SS..  trans-77.6121.3-177.4-176.528.9000112.7T902 L903 R904D900-T902 VanDerWaalsContact C-N 3.33Å; D900-T902 VanDerWaalsContact CG-OG1 3.25Å; D900-T902 PolarHBondContact O-N 2.87Å; D900-T902 PolarHBondContact OD1-N 3.1Å; D900-T902 PolarHBondContact OD1-OG1 3.4Å; D900-T902 PolarHBondContact OD2-OG1 3.45Å; D900-L903 HydrophobicContact CB-CB 4.07Å; D900-L903 PolarHBondContact O-N 2.71Å; D900-L903 PolarHBondContact OD2-N 2.92Å; D900-R904 VanDerWaalsContact O-CB 3.28Å; D900-R904 WeakPolarHBondContact O-CB 3.46Å; D900-R904 PolarHBondContact O-N 2.96Å
901V80.9Confident83.4Confident106 Ų10669.9 Ų69.964%0.64235%0.351SS*.Hα-helixtrans-66.8-35.3-176.4-179.70000111.5E899 R905E899-V901 PolarHBondContact O-N 3.45Å; V901-R905 PolarHBondContact O-N 2.93Å; V901-R905 VanDerWaalsContact O-N 3.13Å
902T80.3Confident83.6Confident95 Ų9570.3 Ų70.358%0.58335%0.354SS*.Hα-helixtrans-68.2-49.6177.732.40000111.5D900 R904 R905 D906D900-T902 VanDerWaalsContact C-N 3.33Å; D900-T902 VanDerWaalsContact CG-OG1 3.25Å; D900-T902 PolarHBondContact O-N 2.87Å; D900-T902 PolarHBondContact OD1-N 3.1Å; D900-T902 PolarHBondContact OD1-OG1 3.4Å; D900-T902 PolarHBondContact OD2-OG1 3.45Å; T902-R904 VanDerWaalsContact C-N 3.32Å; T902-R904 PolarHBondContact O-N 2.84Å; T902-R905 PolarHBondContact O-N 3.21Å; T902-D906 PolarHBondContact O-N 3.23Å; T902-D906 VanDerWaalsContact O-N 3.15Å
903L80.3Confident83.6Confident15 Ų1573.8 Ų73.88%0.07937%0.371CS..Hα-helixtrans-60.7-42.1176.7-137.795.7000111.9I866 M870 E898 D900 R905 D906 I907I866-L903 HydrophobicContact CG2-CD1 3.49Å; I866-L903 VanDerWaalsContact CG2-CD1 3.49Å; M870-L903 HydrophobicContact SD-CG 4.44Å; E898-L903 HydrophobicContact CG-CB 4.25Å; E898-L903 HydrophobicContact CG-CD2 4Å; D900-L903 HydrophobicContact CB-CB 4.07Å; D900-L903 PolarHBondContact O-N 2.71Å; D900-L903 PolarHBondContact OD2-N 2.92Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 2.89Å; L903-D906 PolarHBondContact O-N 3.36Å; L903-I907 HydrophobicContact CD2-CD1 3.95Å; L903-I907 HydrophobicContact CG-CD1 4.36Å; L903-I907 WeakPolarHBondContact O-CB 3.17Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.46Å; L903-I907 PolarHBondContact O-N 3.4Å
904R83.8Confident83.7Confident83 Ų8370 Ų7031%0.31335%0.35SS..Hα-helixtrans-59.8-41.8178-165.1-174.1-63.2153.4-5.5111.5I895 E898 D900 T902 I907 V908I895-R904 HydrophobicContact CG2-CG 3.86Å; I895-R904 WeakPolarHBondContact O-CD 3.38Å; I895-R904 WeakPolarHBondContact O-CG 3.41Å; I895-R904 PolarHBondContact O-NE 3.1Å; E898-R904 PolarHBondContact O-NE 2.87Å; E898-R904 PolarHBondContact O-NH2 3.4Å; D900-R904 VanDerWaalsContact O-CB 3.28Å; D900-R904 WeakPolarHBondContact O-CB 3.46Å; D900-R904 PolarHBondContact O-N 2.96Å; T902-R904 VanDerWaalsContact C-N 3.32Å; T902-R904 PolarHBondContact O-N 2.84Å; R904-I907 PolarHBondContact O-N 3.25Å; R904-V908 WeakPolarHBondContact O-CG2 3.21Å; R904-V908 PolarHBondContact O-N 3.44Å
905R85.4Confident84.1Confident162 Ų16267.2 Ų67.261%0.61134%0.335SS*.Hα-helixtrans-63.9-43.8177-167.1-179.8-176.2107.3-0.1111.6V901 T902 L903 V908 C909V901-R905 PolarHBondContact O-N 2.93Å; V901-R905 VanDerWaalsContact O-N 3.13Å; T902-R905 PolarHBondContact O-N 3.21Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 2.89Å; R905-V908 PolarHBondContact O-N 3.48Å; R905-C909 WeakPolarHBondContact O-CB 3.45Å; R905-C909 PolarHBondContact O-N 3.27Å; R905-C909 PolarHBondContact O-SG 2.91Å
906D84.3Confident84.3Confident90 Ų9071.3 Ų71.348%0.48135%0.354SS..Hα-helixtrans-66-39.9178.4-75.3-9.7000112.3T902 L903 W910T902-D906 PolarHBondContact O-N 3.23Å; T902-D906 VanDerWaalsContact O-N 3.15Å; L903-D906 PolarHBondContact O-N 3.36Å; D906-W910 WeakPolarHBondContact O-CB 3.42Å; D906-W910 PolarHBondContact O-N 3.08Å
907I86.2Confident84.5Confident4 Ų470.2 Ų70.22%0.02135%0.35CS..Hα-helixtrans-64-44175-69.6164.5000110.7I873 L877 I895 E898 L903 R904 W910 A911I873-I907 HydrophobicContact CD1-CD1 4.4Å; I873-I907 HydrophobicContact CG2-CD1 3.97Å; I873-I907 HydrophobicContact CG2-CG2 4.32Å; L877-I907 HydrophobicContact CD1-CG2 3.32Å; I895-I907 HydrophobicContact CG1-CG2 4.32Å; E898-I907 HydrophobicContact CG-CD1 4.43Å; L903-I907 HydrophobicContact CD2-CD1 3.95Å; L903-I907 HydrophobicContact CG-CD1 4.36Å; L903-I907 WeakPolarHBondContact O-CB 3.17Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.46Å; L903-I907 PolarHBondContact O-N 3.4Å; R904-I907 PolarHBondContact O-N 3.25Å; I907-W910 PolarHBondContact O-N 2.98Å; I907-A911 VanDerWaalsContact O-CB 3.28Å; I907-A911 WeakPolarHBondContact O-CB 3.42Å; I907-A911 PolarHBondContact O-N 2.83Å
908V88.4Confident84.9Confident10 Ų1071.2 Ų71.26%0.06134%0.337CS..Hα-helixtrans-66.2-43.6178.1177.80000111I895 R904 R905 W910 A911 V912 I931I895-V908 HydrophobicContact CD1-CG2 4.24Å; I895-V908 HydrophobicContact CG2-CG2 3.51Å; R904-V908 WeakPolarHBondContact O-CG2 3.21Å; R904-V908 PolarHBondContact O-N 3.44Å; R905-V908 PolarHBondContact O-N 3.48Å; V908-W910 PolarHBondContact O-N 3.49Å; V908-A911 PolarHBondContact O-N 3.3Å; V908-V912 WeakPolarHBondContact O-CG2 3.37Å; V908-V912 PolarHBondContact O-N 2.98Å; V908-I931 HydrophobicContact CB-CG1 4.41Å; V908-I931 HydrophobicContact CG1-CD1 3.82Å; V908-I931 HydrophobicContact CG1-CG1 3.38Å
909C87.3Confident85.2Confident50 Ų5077.6 Ų77.634%0.33836%0.364SS..Hα-helixtrans-60-44.3175.5-79.20000112R905 V912 Q913R905-C909 WeakPolarHBondContact O-CB 3.45Å; R905-C909 PolarHBondContact O-N 3.27Å; R905-C909 PolarHBondContact O-SG 2.91Å; C909-V912 PolarHBondContact O-N 3.4Å; C909-Q913 PolarHBondContact O-N 3.22Å
910W88.4Confident85.7Confident55 Ų5571 Ų7121%0.20833%0.332CS..Hα-helixtrans-63.9-42.6174.9179.686.6000112.1R874 L877 I881 D906 I907 V908 V912 Q913 E914R874-W910 HydrophobicContact CB-CE3 4.46Å; R874-W910 HydrophobicContact CB-CH2 4.03Å; R874-W910 HydrophobicContact CB-CZ2 4.19Å; R874-W910 HydrophobicContact CB-CZ3 4.17Å; R874-W910 HydrophobicContact CG-CD2 4.01Å; R874-W910 HydrophobicContact CG-CE3 3.98Å; R874-W910 HydrophobicContact CG-CH2 4.39Å; R874-W910 HydrophobicContact CG-CZ2 4.42Å; R874-W910 HydrophobicContact CG-CZ3 4.18Å; R874-W910 VanDerWaalsContact O-CH2 3.23Å; R874-W910 WeakPolarHBondContact O-CH2 3.37Å; L877-W910 HydrophobicContact CB-CZ3 3.87Å; I881-W910 HydrophobicContact CD1-CZ3 4.47Å; D906-W910 WeakPolarHBondContact O-CB 3.42Å; D906-W910 PolarHBondContact O-N 3.08Å; I907-W910 PolarHBondContact O-N 2.98Å; V908-W910 PolarHBondContact O-N 3.49Å; W910-V912 VanDerWaalsContact C-N 3.34Å; W910-V912 PolarHBondContact O-N 3.4Å; W910-Q913 PolarHBondContact O-N 3.1Å; W910-E914 HydrophobicContact CH2-CG 4.37Å; W910-E914 HydrophobicContact CZ2-CG 4.49Å; W910-E914 PolarHBondContact O-N 3.46Å
911A88.4Confident85.9Confident0 Ų077.1 Ų77.10%035%0.349CS..Hα-helixtrans-64.6-35.317800000112.6I881 I907 V908 A915 L927I881-A911 HydrophobicContact CD1-CB 3.94Å; I907-A911 VanDerWaalsContact O-CB 3.28Å; I907-A911 WeakPolarHBondContact O-CB 3.42Å; I907-A911 PolarHBondContact O-N 2.83Å; V908-A911 PolarHBondContact O-N 3.3Å; A911-A915 WeakPolarHBondContact O-CB 3.41Å; A911-A915 PolarHBondContact O-N 3.32Å; A911-L927 HydrophobicContact CB-CD1 3.95Å
912V90Very high86Confident14 Ų1477.4 Ų77.49%0.08535%0.347CS..Hα-helixtrans-63.8-46172.81710000110.8V908 C909 W910 A915 E916 L927 K928 I931V908-V912 WeakPolarHBondContact O-CG2 3.37Å; V908-V912 PolarHBondContact O-N 2.98Å; C909-V912 PolarHBondContact O-N 3.4Å; W910-V912 VanDerWaalsContact C-N 3.34Å; W910-V912 PolarHBondContact O-N 3.4Å; V912-A915 PolarHBondContact O-N 3.29Å; V912-E916 WeakPolarHBondContact O-CG 3.32Å; V912-E916 PolarHBondContact O-N 3.43Å; V912-L927 HydrophobicContact CG2-CB 3.58Å; V912-L927 HydrophobicContact CG2-CD1 4.41Å; V912-K928 HydrophobicContact CG1-CG 4.08Å; V912-K928 HydrophobicContact CG2-CG 4.24Å; V912-I931 HydrophobicContact CG2-CD1 4.04Å
913Q88.1Confident86.4Confident132 Ų13272.9 Ų72.962%0.61732%0.319SS*.Hα-helixtrans-62.2-44.7177.9-71.6179.21.900111.8C909 W910 E916 R917C909-Q913 PolarHBondContact O-N 3.22Å; W910-Q913 PolarHBondContact O-N 3.1Å; Q913-E916 PolarHBondContact O-N 3.29Å; Q913-R917 WeakPolarHBondContact O-CB 3.35Å; Q913-R917 PolarHBondContact O-N 3.48Å
914E87.5Confident86.7Confident16 Ų1672.3 Ų72.38%0.07532%0.317CS..Hα-helixtrans-68.9-37178.7-166.373.5168.800111.2I881 R882 W910 E916 R917 F918I881-E914 HydrophobicContact CD1-CB 4.37Å; I881-E914 HydrophobicContact CG2-CG 4.26Å; R882-E914 IonicContact NH2-OE1 3.34Å; W910-E914 HydrophobicContact CH2-CG 4.37Å; W910-E914 HydrophobicContact CZ2-CG 4.49Å; W910-E914 PolarHBondContact O-N 3.46Å; E914-E916 PolarHBondContact O-N 3.32Å; E914-R917 WeakPolarHBondContact O-CB 3.42Å; E914-R917 PolarHBondContact O-N 3.36Å; E914-R917 IonicContact OE1-NH1 2.59Å; E914-R917 WeakPolarHBondContact OE2-CD 3.45Å; E914-R917 IonicContact OE2-NH1 3.17Å; E914-R917 PolarHBondContact OE2-NH1 2.99Å; E914-F918 HydrophobicContact CG-CD2 4.13Å; E914-F918 HydrophobicContact CG-CE2 4.05Å; E914-F918 VanDerWaalsContact O-CD2 3.3Å; E914-F918 WeakPolarHBondContact O-CD2 3.24Å; E914-F918 PolarHBondContact O-N 3.46Å; E914-F918 VanDerWaalsContact O-N 3.08Å; E914-F918 WeakPolarHBondContact OE1-CE2 3.46Å
915A89.2Confident86.8Confident0 Ų072.8 Ų72.80%033%0.325CS..Hα-helixtrans-64.9-37.917400000112.6I881 A911 V912 F918 K919 R920 L923 L927I881-A915 HydrophobicContact CG2-CB 4.29Å; A911-A915 WeakPolarHBondContact O-CB 3.41Å; A911-A915 PolarHBondContact O-N 3.32Å; V912-A915 PolarHBondContact O-N 3.29Å; A915-F918 PolarHBondContact O-N 2.94Å; A915-K919 PolarHBondContact O-N 3.46Å; A915-R920 HydrophobicContact CB-CB 4.49Å; A915-R920 PolarHBondContact O-N 3.3Å; A915-L923 HydrophobicContact CB-CD2 4.05Å; A915-L923 HydrophobicContact CB-CG 4.28Å; A915-L927 HydrophobicContact CB-CD1 4.38Å
916E88.5Confident86.9Confident99 Ų9966.6 Ų66.646%0.46331%0.309SS..Hα-helixtrans-66.7-40.8172.9-75.3-175.5169.100111.8V912 Q913 E914 F918 K919 S924 K928V912-E916 WeakPolarHBondContact O-CG 3.32Å; V912-E916 PolarHBondContact O-N 3.43Å; Q913-E916 PolarHBondContact O-N 3.29Å; E914-E916 PolarHBondContact O-N 3.32Å; E916-F918 VanDerWaalsContact C-N 3.29Å; E916-F918 PolarHBondContact O-N 3.31Å; E916-K919 PolarHBondContact O-N 3.08Å; E916-S924 WeakPolarHBondContact CG-OG 3.41Å; E916-S924 PolarHBondContact OE1-OG 3.39Å; E916-K928 WeakPolarHBondContact OE1-CE 3.33Å; E916-K928 IonicContact OE1-NZ 2.65Å; E916-K928 PolarHBondContact OE1-NZ 3.14Å
917R87.4Confident87.1Confident182 Ų18262.3 Ų62.369%0.68729%0.286SS*.Hα-helixtrans-58.5-38.4175.2-169.2-176.6-179.3-169.74.3112.4Q913 E914 K919Q913-R917 WeakPolarHBondContact O-CB 3.35Å; Q913-R917 PolarHBondContact O-N 3.48Å; E914-R917 WeakPolarHBondContact O-CB 3.42Å; E914-R917 PolarHBondContact O-N 3.36Å; E914-R917 IonicContact OE1-NH1 2.59Å; E914-R917 WeakPolarHBondContact OE2-CD 3.45Å; E914-R917 IonicContact OE2-NH1 3.17Å; E914-R917 PolarHBondContact OE2-NH1 2.99Å; R917-K919 VanDerWaalsContact C-N 3.32Å
918F86.1Confident87.1Confident84 Ų8466.4 Ų66.437%0.36830%0.303SS..THydrogen-bonded Turntrans-88.211.7174.7-74.1-73.9000114.5I881 R882 E914 A915 E916 R920I881-F918 HydrophobicContact CG2-CD2 4.31Å; R882-F918 HydrophobicContact CG-CD1 4.43Å; R882-F918 HydrophobicContact CG-CD2 4.17Å; R882-F918 HydrophobicContact CG-CE1 3.95Å; R882-F918 HydrophobicContact CG-CE2 3.65Å; R882-F918 HydrophobicContact CG-CZ 3.56Å; E914-F918 HydrophobicContact CG-CD2 4.13Å; E914-F918 HydrophobicContact CG-CE2 4.05Å; E914-F918 VanDerWaalsContact O-CD2 3.3Å; E914-F918 WeakPolarHBondContact O-CD2 3.24Å; E914-F918 PolarHBondContact O-N 3.46Å; E914-F918 VanDerWaalsContact O-N 3.08Å; E914-F918 WeakPolarHBondContact OE1-CE2 3.46Å; A915-F918 PolarHBondContact O-N 2.94Å; E916-F918 VanDerWaalsContact C-N 3.29Å; E916-F918 PolarHBondContact O-N 3.31Å; F918-R920 HydrophobicContact CB-CG 4.38Å; F918-R920 PolarHBondContact O-N 2.87Å
919K84.1Confident86.9Confident181 Ų18169.8 Ų69.879%0.78732%0.324SS*.THydrogen-bonded Turntrans56.728.1179-58.4-179.5179.4177.60114.2A915 E916 R917 R921A915-K919 PolarHBondContact O-N 3.46Å; E916-K919 PolarHBondContact O-N 3.08Å; R917-K919 VanDerWaalsContact C-N 3.32Å; K919-R921 PolarHBondContact O-N 3.49Å; K919-R921 VanDerWaalsContact O-N 3.09Å
920R84.2Confident86.4Confident41 Ų4170 Ų7016%0.15533%0.325CS..  trans-84.973.7176.8-65.8-162.2173.7-1715.7112.2L880 I881 R882 R883 P884 A915 F918 N922 L923 S924L880-R920 PolarHBondContact O-NH1 3.24Å; I881-R920 WeakPolarHBondContact O-CD 3.14Å; I881-R920 PolarHBondContact O-NE 2.93Å; I881-R920 PolarHBondContact O-NH1 3.43Å; I881-R920 VanDerWaalsContact O-NH1 3.12Å; I881-R920 PolarHBondContact O-NH2 2.81Å; I881-R920 VanDerWaalsContact O-NH2 3.1Å; R882-R920 PolarHBondContact O-NH2 3.15Å; R883-R920 PolarHBondContact O-NH1 3.04Å; R883-R920 PolarHBondContact O-NH2 3.2Å; P884-R920 VanDerWaalsContact N-NH2 3.18Å; A915-R920 HydrophobicContact CB-CB 4.49Å; A915-R920 PolarHBondContact O-N 3.3Å; F918-R920 HydrophobicContact CB-CG 4.38Å; F918-R920 PolarHBondContact O-N 2.87Å; R920-N922 VanDerWaalsContact C-N 3.33Å; R920-N922 PolarHBondContact O-N 3.05Å; R920-L923 HydrophobicContact CB-CB 4.03Å; R920-L923 PolarHBondContact O-N 3.07Å; R920-S924 WeakPolarHBondContact O-CB 3.45Å; R920-S924 PolarHBondContact O-N 3.06Å
921R84Confident85.7Confident200 Ų20070.1 Ų70.176%0.75533%0.33SS*.Hα-helixtrans-56.2-41.9-175.4-65.7-176.8179169.9-0.5113.8K919 S924 N925K919-R921 PolarHBondContact O-N 3.49Å; K919-R921 VanDerWaalsContact O-N 3.09Å; R921-S924 PolarHBondContact O-N 3.09Å; R921-N925 WeakPolarHBondContact O-CB 3.39Å; R921-N925 PolarHBondContact O-N 3.18Å; R921-N925 PolarHBondContact O-ND2 3.06Å
922N84.6Confident84.5Confident113 Ų11374.7 Ų74.760%0.60436%0.362SS*.Hα-helixtrans-66.5-44.5-179.5-66.8-8.9000112.5R920 N925 A926R920-N922 VanDerWaalsContact C-N 3.33Å; R920-N922 PolarHBondContact O-N 3.05Å; N922-N925 PolarHBondContact O-N 3.01Å; N922-A926 WeakPolarHBondContact O-CB 3.16Å; N922-A926 PolarHBondContact O-N 2.61Å
923L87.1Confident82.6Confident0 Ų083.1 Ų83.10%041%0.406CS..Hα-helixtrans-65.1-44.2175.817966.1000111.2I881 Y888 I891 A915 R920 N925 A926 L927I881-L923 HydrophobicContact CG1-CD2 4.13Å; I881-L923 HydrophobicContact CG2-CD2 4.37Å; Y888-L923 HydrophobicContact CD1-CB 4.47Å; Y888-L923 HydrophobicContact CD1-CD1 3.71Å; Y888-L923 HydrophobicContact CD2-CD1 4.14Å; Y888-L923 HydrophobicContact CE1-CB 4.13Å; Y888-L923 HydrophobicContact CE1-CD1 4.22Å; Y888-L923 HydrophobicContact CE2-CB 4.48Å; Y888-L923 HydrophobicContact CG-CD1 3.67Å; I891-L923 HydrophobicContact CD1-CD1 3.99Å; I891-L923 HydrophobicContact CD1-CD2 3.9Å; A915-L923 HydrophobicContact CB-CD2 4.05Å; A915-L923 HydrophobicContact CB-CG 4.28Å; R920-L923 HydrophobicContact CB-CB 4.03Å; R920-L923 PolarHBondContact O-N 3.07Å; L923-N925 VanDerWaalsContact C-N 3.33Å; L923-N925 PolarHBondContact O-N 3.27Å; L923-A926 PolarHBondContact O-N 3.42Å; L923-L927 HydrophobicContact CD1-CD1 4.15Å; L923-L927 HydrophobicContact CD1-CG 4.15Å; L923-L927 HydrophobicContact CD2-CD1 4.49Å; L923-L927 HydrophobicContact CG-CD1 3.9Å; L923-L927 HydrophobicContact CG-CG 4.31Å; L923-L927 WeakPolarHBondContact O-CB 3.28Å; L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 2.77Å
924S87.6Confident82.3Confident3 Ų380.7 Ų80.72%0.02140%0.395CS..Hα-helixtrans-58-44.4175.8173.80000111.4E916 R920 R921 L927 K928E916-S924 WeakPolarHBondContact CG-OG 3.41Å; E916-S924 PolarHBondContact OE1-OG 3.39Å; R920-S924 WeakPolarHBondContact O-CB 3.45Å; R920-S924 PolarHBondContact O-N 3.06Å; R921-S924 PolarHBondContact O-N 3.09Å; S924-L927 PolarHBondContact O-N 2.86Å; S924-K928 WeakPolarHBondContact O-CB 3.34Å; S924-K928 VanDerWaalsContact O-CG 3.24Å; S924-K928 WeakPolarHBondContact O-CG 3.47Å; S924-K928 PolarHBondContact O-N 3.21Å
925N87Confident82Confident92 Ų9284.1 Ų84.149%0.49241%0.412SS..Hα-helixtrans-65-40.7176.2-70.2-16000112.5R921 N922 L923 K928 T929R921-N925 WeakPolarHBondContact O-CB 3.39Å; R921-N925 PolarHBondContact O-N 3.18Å; R921-N925 PolarHBondContact O-ND2 3.06Å; N922-N925 PolarHBondContact O-N 3.01Å; L923-N925 VanDerWaalsContact C-N 3.33Å; L923-N925 PolarHBondContact O-N 3.27Å; N925-K928 PolarHBondContact O-N 3.25Å; N925-T929 PolarHBondContact O-N 3Å; N925-T929 PolarHBondContact O-OG1 2.83Å
926A86.5Confident81.6Confident32 Ų3288.8 Ų88.826%0.26444%0.435SS..Hα-helixtrans-65.3-42.4176.900000112.1F892 N922 L923 T929 C930F892-A926 HydrophobicContact CE2-CB 4.45Å; F892-A926 HydrophobicContact CZ-CB 3.89Å; N922-A926 WeakPolarHBondContact O-CB 3.16Å; N922-A926 PolarHBondContact O-N 2.61Å; L923-A926 PolarHBondContact O-N 3.42Å; A926-T929 WeakPolarHBondContact O-CB 3.12Å; A926-T929 PolarHBondContact O-N 3.19Å; A926-C930 PolarHBondContact O-N 2.75Å
927L87.7Confident81.2Confident1 Ų188.2 Ų88.21%0.00543%0.433CS..Hα-helixtrans-66.7-40.1175.3-71172.6000112.1I891 F892 I895 A911 V912 A915 L923 S924 T929 C930 I931I891-L927 HydrophobicContact CG2-CD2 4.34Å; F892-L927 HydrophobicContact CE1-CD2 3.86Å; F892-L927 HydrophobicContact CZ-CD2 4.2Å; I895-L927 HydrophobicContact CD1-CD2 3.74Å; A911-L927 HydrophobicContact CB-CD1 3.95Å; V912-L927 HydrophobicContact CG2-CB 3.58Å; V912-L927 HydrophobicContact CG2-CD1 4.41Å; A915-L927 HydrophobicContact CB-CD1 4.38Å; L923-L927 HydrophobicContact CD1-CD1 4.15Å; L923-L927 HydrophobicContact CD1-CG 4.15Å; L923-L927 HydrophobicContact CD2-CD1 4.49Å; L923-L927 HydrophobicContact CG-CD1 3.9Å; L923-L927 HydrophobicContact CG-CG 4.31Å; L923-L927 WeakPolarHBondContact O-CB 3.28Å; L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 2.77Å; S924-L927 PolarHBondContact O-N 2.86Å; L927-T929 VanDerWaalsContact C-N 3.27Å; L927-T929 PolarHBondContact O-N 2.86Å; L927-C930 WeakPolarHBondContact O-CB 3.39Å; L927-C930 PolarHBondContact O-N 3.07Å; L927-I931 PolarHBondContact O-N 2.91Å
928K87Confident80.8Confident89 Ų8982.3 Ų82.339%0.38742%0.417SS..Hα-helixtrans-61.2-36173.7-77.1175.2-176.7178.90112.4V912 E916 S924 N925 C930 I931 S932V912-K928 HydrophobicContact CG1-CG 4.08Å; V912-K928 HydrophobicContact CG2-CG 4.24Å; E916-K928 WeakPolarHBondContact OE1-CE 3.33Å; E916-K928 IonicContact OE1-NZ 2.65Å; E916-K928 PolarHBondContact OE1-NZ 3.14Å; S924-K928 WeakPolarHBondContact O-CB 3.34Å; S924-K928 VanDerWaalsContact O-CG 3.24Å; S924-K928 WeakPolarHBondContact O-CG 3.47Å; S924-K928 PolarHBondContact O-N 3.21Å; N925-K928 PolarHBondContact O-N 3.25Å; K928-C930 PolarHBondContact O-N 3.31Å; K928-I931 PolarHBondContact O-N 2.89Å; K928-I931 VanDerWaalsContact O-N 3.1Å; K928-S932 PolarHBondContact O-N 2.86Å
929T83.4Confident80.5Confident81 Ų8182.2 Ų82.250%0.49742%0.42SS..Hα-helixtrans-65.3-30.6175.5-47.90000111.4N925 A926 L927 S932 L933N925-T929 PolarHBondContact O-N 3Å; N925-T929 PolarHBondContact O-OG1 2.83Å; A926-T929 WeakPolarHBondContact O-CB 3.12Å; A926-T929 PolarHBondContact O-N 3.19Å; L927-T929 VanDerWaalsContact C-N 3.27Å; L927-T929 PolarHBondContact O-N 2.86Å; T929-S932 WeakPolarHBondContact CA-OG 3.28Å; T929-S932 PolarHBondContact O-N 2.95Å; T929-S932 PolarHBondContact O-OG 3.15Å; T929-L933 PolarHBondContact O-N 3.44Å
930C77Confident80.2Confident54 Ų5475.1 Ų75.137%0.36539%0.394SS..Hα-helixtrans-75.5-18172.8-69.50000114.3F892 A926 L927 K928F892-C930 WeakPolarHBondContact CE1-SG 3.41Å; A926-C930 PolarHBondContact O-N 2.75Å; L927-C930 WeakPolarHBondContact O-CB 3.39Å; L927-C930 PolarHBondContact O-N 3.07Å; K928-C930 PolarHBondContact O-N 3.31Å
931I74Confident79.9Confident58 Ų5877.8 Ų77.830%0.29741%0.413SS..Hα-helixtrans-79.6-27.4170.8-60175.2000110.6V908 V912 L927 K928 L933V908-I931 HydrophobicContact CB-CG1 4.41Å; V908-I931 HydrophobicContact CG1-CD1 3.82Å; V908-I931 HydrophobicContact CG1-CG1 3.38Å; V912-I931 HydrophobicContact CG2-CD1 4.04Å; L927-I931 PolarHBondContact O-N 2.91Å; K928-I931 PolarHBondContact O-N 2.89Å; K928-I931 VanDerWaalsContact O-N 3.1Å; I931-L933 VanDerWaalsContact C-N 3.31Å
932S63.6Low79.6Confident96 Ų9667.6 Ų67.667%0.67138%0.384SS*.  trans-80.8-9.4177.561.10000114.4K928 T929K928-S932 PolarHBondContact O-N 2.86Å; T929-S932 WeakPolarHBondContact CA-OG 3.28Å; T929-S932 PolarHBondContact O-N 2.95Å; T929-S932 PolarHBondContact O-OG 3.15Å
933L49.2Very low79.1Confident192 Ų19263.5 Ų63.5100%1.00536%0.364SS*.  trans-101.50171.6-71168.2000109.1T929 I931T929-L933 PolarHBondContact O-N 3.44Å; I931-L933 VanDerWaalsContact C-N 3.31Å

Retrieved 933 of 933 residues in 581 ms (Link to these results)

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