A0A3B3TZB9_9TELE Loading...

Growth arrest and DNA damage inducible beta

AlphaFold DB , UniProt , Accession A0A3B3TZB9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 153 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
1M37.4Very low57.1Low241 Ų241115.5 Ų115.5100%1.18761%0.608SS**  0104.50-68.2164.893.800105.9
2I47.3Very low59.2Low123 Ų123114.2 Ų114.263%0.63160%0.601SS**  trans-76.7127.2175.1-58.2167.3000105.5E4 F7I2-E4 PolarHBondContact O-N 3.31Å; I2-F7 HydrophobicContact CB-CE2 4.07Å; I2-F7 HydrophobicContact CG2-CD2 4.44Å; I2-F7 HydrophobicContact CG2-CE2 3.58Å; I2-F7 HydrophobicContact CG2-CZ 4.21Å
3P52.4Low61.1Low87 Ų87113.4 Ų113.457%0.56559%0.585SS**  trans-68.3133.2-171.924-28.1000110.7E5 S6P3-E5 PolarHBondContact O-N 3.5Å; P3-E5 VanDerWaalsContact O-N 3.13Å; P3-S6 VanDerWaalsContact O-CB 3.25Å; P3-S6 WeakPolarHBondContact O-CB 3.38Å; P3-S6 PolarHBondContact O-N 3.08Å
4E52Low63.1Low177 Ų177109.6 Ų109.683%0.82757%0.565SS**Hα-helixtrans-60.5-20.2-178-64.8-170.693.600113.4I2 S6 F7I2-E4 PolarHBondContact O-N 3.31Å; E4-S6 PolarHBondContact O-N 3.2Å; E4-F7 PolarHBondContact O-N 3.22Å
5E45.6Very low64.9Low176 Ų176108.7 Ų108.782%0.82256%0.557SS**Hα-helixtrans-66.4-23.4172.8-62-160.1111.500113.2P3P3-E5 PolarHBondContact O-N 3.5Å; P3-E5 VanDerWaalsContact O-N 3.13Å
6S55.1Low66.6Low54 Ų54105.3 Ų105.338%0.37855%0.546SS..Hα-helixtrans-71.3-38.2178.3-175.10000112.2P3 E4 S9 V10P3-S6 VanDerWaalsContact O-CB 3.25Å; P3-S6 WeakPolarHBondContact O-CB 3.38Å; P3-S6 PolarHBondContact O-N 3.08Å; E4-S6 PolarHBondContact O-N 3.2Å; S6-S9 PolarHBondContact O-OG 3.01Å; S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 3.21Å
7F57.5Low68.2Low128 Ų12899.2 Ų99.256%0.56151%0.514SS*.Hα-helixtrans-74.3-44.6-170.8-78-87000112.7I2 E4 S9 V10 E11I2-F7 HydrophobicContact CB-CE2 4.07Å; I2-F7 HydrophobicContact CG2-CD2 4.44Å; I2-F7 HydrophobicContact CG2-CE2 3.58Å; I2-F7 HydrophobicContact CG2-CZ 4.21Å; E4-F7 PolarHBondContact O-N 3.22Å; F7-S9 PolarHBondContact O-N 3.34Å; F7-V10 PolarHBondContact O-N 3.13Å; F7-E11 PolarHBondContact O-N 3.28Å
8A61.8Low69.7Low52 Ų5295.9 Ų95.943%0.4349%0.494SS..Hα-helixtrans-60-34.2176.300000112N12A8-N12 WeakPolarHBondContact O-CB 3.24Å; A8-N12 PolarHBondContact O-N 2.92Å; A8-N12 VanDerWaalsContact O-N 3.09Å; A8-N12 PolarHBondContact O-ND2 2.86Å
9S69.9Low71Confident44 Ų4495.2 Ų95.231%0.30849%0.491SS..Hα-helixtrans-69.4-31.1176.684.40000113.6S6 F7 R13S6-S9 PolarHBondContact O-OG 3.01Å; F7-S9 PolarHBondContact O-N 3.34Å; S9-R13 WeakPolarHBondContact O-CB 3.44Å; S9-R13 WeakPolarHBondContact O-CG 3.46Å; S9-R13 PolarHBondContact O-N 3.48Å; S9-R13 PolarHBondContact O-NE 2.89Å; S9-R13 PolarHBondContact OG-NH2 3.16Å; S9-R13 VanDerWaalsContact OG-NH2 3.17Å
10V72.9Confident72.2Confident68 Ų6890.4 Ų90.441%0.41247%0.466SS..Hα-helixtrans-80.4-41.9-179.9172.70000110.1S6 F7 R13 M14S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 3.21Å; F7-V10 PolarHBondContact O-N 3.13Å; V10-R13 PolarHBondContact O-N 3.32Å; V10-M14 WeakPolarHBondContact O-CB 3.39Å; V10-M14 PolarHBondContact O-N 3.46Å
11E76.8Confident73.3Confident121 Ų12186.1 Ų86.157%0.56544%0.444SS*.Hα-helixtrans-63.8-44.4177-169.6171.1-133.300111.7F7 R13 M14 Q15F7-E11 PolarHBondContact O-N 3.28Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 3.47Å; E11-M14 PolarHBondContact O-N 3.4Å; E11-Q15 WeakPolarHBondContact O-CG 3.34Å; E11-Q15 PolarHBondContact O-N 2.96Å
12N81.5Confident76Confident99 Ų9975.5 Ų75.553%0.52939%0.392SS..Hα-helixtrans-60.2-42.4174.4-74.9-27.7000112A8 Q15 S16A8-N12 WeakPolarHBondContact O-CB 3.24Å; A8-N12 PolarHBondContact O-N 2.92Å; A8-N12 VanDerWaalsContact O-N 3.09Å; A8-N12 PolarHBondContact O-ND2 2.86Å; N12-Q15 PolarHBondContact O-N 2.77Å; N12-S16 WeakPolarHBondContact O-CB 3.49Å; N12-S16 PolarHBondContact O-N 3.46Å
13R84.8Confident78.2Confident104 Ų10473.8 Ų73.839%0.39238%0.381SS..Hα-helixtrans-64.7-42.8176.9-83.9-176.4-81.5-169-5112.3S9 V10 E11 S16 A17 E137S9-R13 WeakPolarHBondContact O-CB 3.44Å; S9-R13 WeakPolarHBondContact O-CG 3.46Å; S9-R13 PolarHBondContact O-N 3.48Å; S9-R13 PolarHBondContact O-NE 2.89Å; S9-R13 PolarHBondContact OG-NH2 3.16Å; S9-R13 VanDerWaalsContact OG-NH2 3.17Å; V10-R13 PolarHBondContact O-N 3.32Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 3.47Å; R13-S16 PolarHBondContact O-N 2.8Å; R13-A17 WeakPolarHBondContact O-CB 3.24Å; R13-A17 PolarHBondContact O-N 3.43Å; R13-E137 VanDerWaalsContact CD-OE2 3.25Å; R13-E137 WeakPolarHBondContact CD-OE2 3.44Å; R13-E137 IonicContact CZ-OE2 3.86Å; R13-E137 IonicContact NE-OE2 3.95Å; R13-E137 VanDerWaalsContact NH1-CD 3.28Å; R13-E137 IonicContact NH1-OE1 3Å; R13-E137 PolarHBondContact NH1-OE1 2.77Å; R13-E137 IonicContact NH1-OE2 2.94Å; R13-E137 PolarHBondContact NH1-OE2 2.95Å
14M88.3Confident80.3Confident61 Ų6169.6 Ų69.630%0.335%0.354SS..Hα-helixtrans-63.6-42.2177.2-172.6-175.4-72.600111.4V10 E11 A17 R18 L148V10-M14 WeakPolarHBondContact O-CB 3.39Å; V10-M14 PolarHBondContact O-N 3.46Å; E11-M14 PolarHBondContact O-N 3.4Å; M14-A17 PolarHBondContact O-N 2.94Å; M14-R18 WeakPolarHBondContact O-CD 3.4Å; M14-R18 WeakPolarHBondContact O-CG 3.4Å; M14-R18 PolarHBondContact O-N 3.16Å; M14-L148 HydrophobicContact CG-CD2 3.66Å
15Q90.1Very high82.3Confident96 Ų9661.2 Ų61.245%0.44931%0.314SS..Hα-helixtrans-63-43.4174.8-73.4173.51.600111.9E11 N12 R18 L19E11-Q15 WeakPolarHBondContact O-CG 3.34Å; E11-Q15 PolarHBondContact O-N 2.96Å; N12-Q15 PolarHBondContact O-N 2.77Å; Q15-R18 PolarHBondContact O-N 3.42Å; Q15-L19 PolarHBondContact O-N 2.87Å
16S92.2Very high84.5Confident53 Ų5354.2 Ų54.237%0.37128%0.284SS..Hα-helixtrans-60.6-48176.3-142.40000111.3N12 R13 R18 L19 A20 E130N12-S16 WeakPolarHBondContact O-CB 3.49Å; N12-S16 PolarHBondContact O-N 3.46Å; R13-S16 PolarHBondContact O-N 2.8Å; S16-R18 VanDerWaalsContact C-N 3.32Å; S16-R18 PolarHBondContact O-N 2.82Å; S16-L19 PolarHBondContact O-N 2.88Å; S16-A20 VanDerWaalsContact O-CB 3.3Å; S16-A20 WeakPolarHBondContact O-CB 3.39Å; S16-A20 PolarHBondContact O-N 3.35Å; S16-E130 WeakPolarHBondContact CB-OE1 3.34Å; S16-E130 PolarHBondContact OG-OE1 2.91Å
17A94.5Very high86.2Confident2 Ų253.1 Ų53.12%0.01728%0.275CS..Hα-helixtrans-60.9-37.4176.300000112.9R13 M14 L21 Y134 L148R13-A17 WeakPolarHBondContact O-CB 3.24Å; R13-A17 PolarHBondContact O-N 3.43Å; M14-A17 PolarHBondContact O-N 2.94Å; A17-L21 VanDerWaalsContact O-CB 3.25Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.2Å; A17-Y134 HydrophobicContact CB-CD1 4.09Å; A17-Y134 HydrophobicContact CB-CD2 3.93Å; A17-Y134 HydrophobicContact CB-CG 3.66Å; A17-L148 HydrophobicContact CB-CD1 4.16Å; A17-L148 HydrophobicContact CB-CD2 4.42Å
18R94.9Very high87.9Confident41 Ų4147 Ų4716%0.15525%0.248CC..Hα-helixtrans-63-51.6175.6-73.2154.986.5150.66.1111.4M14 Q15 S16 A20 L21 E22 L148 V149M14-R18 WeakPolarHBondContact O-CD 3.4Å; M14-R18 WeakPolarHBondContact O-CG 3.4Å; M14-R18 PolarHBondContact O-N 3.16Å; Q15-R18 PolarHBondContact O-N 3.42Å; S16-R18 VanDerWaalsContact C-N 3.32Å; S16-R18 PolarHBondContact O-N 2.82Å; R18-A20 VanDerWaalsContact C-N 3.33Å; R18-A20 PolarHBondContact O-N 3.36Å; R18-L21 PolarHBondContact O-N 3.47Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.35Å; R18-L148 HydrophobicContact CG-CB 4Å; R18-L148 HydrophobicContact CG-CD1 4.25Å; R18-L148 HydrophobicContact CG-CD2 3.93Å; R18-L148 HydrophobicContact CG-CG 4.28Å; R18-V149 PolarHBondContact NE-O 3.34Å; R18-V149 VanDerWaalsContact NH2-C 3.32Å; R18-V149 PolarHBondContact NH2-O 3.13Å
19L93.8Very high89.2Confident81 Ų8148 Ų4842%0.42424%0.244SC..Hα-helixtrans-62.2-42.8178.2-68.9173.4000111.5Q15 S16 L21 E22 E23Q15-L19 PolarHBondContact O-N 2.87Å; S16-L19 PolarHBondContact O-N 2.88Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.89Å; L19-E22 PolarHBondContact O-N 2.82Å; L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 3.22Å
20A95.1Very high90.2Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-61.1-41.4176.500000111.9S16 R18 L24 R127 E130 V131S16-A20 VanDerWaalsContact O-CB 3.3Å; S16-A20 WeakPolarHBondContact O-CB 3.39Å; S16-A20 PolarHBondContact O-N 3.35Å; R18-A20 VanDerWaalsContact C-N 3.33Å; R18-A20 PolarHBondContact O-N 3.36Å; A20-L24 WeakPolarHBondContact O-CB 3.19Å; A20-L24 PolarHBondContact O-N 3.49Å; A20-R127 HydrophobicContact CB-CB 4.38Å; A20-E130 HydrophobicContact CB-CB 4Å; A20-E130 HydrophobicContact CB-CG 3.89Å; A20-E130 WeakPolarHBondContact CB-OE2 3.3Å; A20-V131 HydrophobicContact CB-CG2 3.92Å
21L96.1Very high91Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-64.7-45.8176.8-177.964.3000112.1A17 R18 L19 E23 L24 L25 L54 V56 L86 V88 V131 L148A17-L21 VanDerWaalsContact O-CB 3.25Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 3.2Å; R18-L21 PolarHBondContact O-N 3.47Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.89Å; L21-E23 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.17Å; L21-L25 HydrophobicContact CD1-CD1 4.11Å; L21-L25 HydrophobicContact CD1-CG 4.07Å; L21-L25 HydrophobicContact CG-CD1 4.04Å; L21-L25 HydrophobicContact CG-CG 4.39Å; L21-L25 WeakPolarHBondContact O-CB 3.26Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 2.74Å; L21-L54 HydrophobicContact CD1-CD2 4.01Å; L21-V56 HydrophobicContact CD1-CG2 3.92Å; L21-L86 HydrophobicContact CD1-CD2 4.45Å; L21-L86 HydrophobicContact CD2-CD1 3.76Å; L21-L86 HydrophobicContact CD2-CD2 4.37Å; L21-V88 HydrophobicContact CD2-CG1 3.61Å; L21-V131 HydrophobicContact CB-CG2 4.07Å; L21-V131 HydrophobicContact CD1-CG1 4.42Å; L21-V131 HydrophobicContact CD1-CG2 4.47Å; L21-L148 HydrophobicContact CD2-CD1 4.02Å
22E94.7Very high91.5Very high19 Ų1955.8 Ų55.89%0.08927%0.268CS..Hα-helixtrans-58.5-48.7177.3-66.8-164.716600111.3R18 L19 V26 R93 L97 L150R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.35Å; L19-E22 PolarHBondContact O-N 2.82Å; E22-V26 WeakPolarHBondContact O-CG2 3.47Å; E22-V26 PolarHBondContact O-N 3.42Å; E22-R93 IonicContact OE1-CZ 3.66Å; E22-R93 IonicContact OE1-NE 3.65Å; E22-R93 PolarHBondContact OE1-NE 2.93Å; E22-R93 IonicContact OE1-NH2 2.8Å; E22-R93 IonicContact OE2-CZ 3.39Å; E22-R93 IonicContact OE2-NE 3.54Å; E22-R93 IonicContact OE2-NH2 3.69Å; E22-R93 PolarHBondContact OE2-NH2 2.89Å; E22-L97 HydrophobicContact CB-CD1 3.87Å; E22-L97 HydrophobicContact CB-CD2 4.39Å; E22-L97 HydrophobicContact CG-CD1 3.59Å; E22-L150 HydrophobicContact CG-CD2 4.1Å
23E93.4Very high92.1Very high86 Ų8652.2 Ų52.240%0.40225%0.25SS..Hα-helixtrans-63.3-44178.3-71.8-179.4-16600111.5L19 L21 L25 V26 T27 R127L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 3.22Å; L21-E23 PolarHBondContact O-N 3.36Å; E23-L25 PolarHBondContact O-N 3.35Å; E23-V26 PolarHBondContact O-N 3.32Å; E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.41Å; E23-T27 PolarHBondContact O-OG1 3.11Å; E23-R127 HydrophobicContact CB-CG 4.34Å; E23-R127 IonicContact OE1-NH2 2.74Å; E23-R127 PolarHBondContact OE1-NH2 3.38Å; E23-R127 IonicContact OE2-CZ 3.1Å; E23-R127 IonicContact OE2-NE 2.73Å; E23-R127 PolarHBondContact OE2-NE 2.88Å; E23-R127 IonicContact OE2-NH2 2.85Å; E23-R127 PolarHBondContact OE2-NH2 2.82Å
24L94.8Very high92.5Very high0 Ų048.5 Ų48.50%024%0.239CC..Hα-helixtrans-58.4-48178.8-179.768.6000111.9A20 L21 T27 A28 L54 L121 R127 L128 V131A20-L24 WeakPolarHBondContact O-CB 3.19Å; A20-L24 PolarHBondContact O-N 3.49Å; L21-L24 PolarHBondContact O-N 3.17Å; L24-T27 PolarHBondContact O-N 2.93Å; L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.88Å; L24-L54 HydrophobicContact CD2-CD2 3.49Å; L24-L54 VanDerWaalsContact CD2-CD2 3.49Å; L24-L121 HydrophobicContact CD1-CD1 3.24Å; L24-L121 HydrophobicContact CG-CD1 4.31Å; L24-R127 HydrophobicContact CB-CB 4.13Å; L24-R127 HydrophobicContact CD1-CB 4.28Å; L24-L128 HydrophobicContact CD1-CB 3.96Å; L24-L128 HydrophobicContact CD1-CD1 4.47Å; L24-L128 HydrophobicContact CD2-CD1 4.05Å; L24-V131 HydrophobicContact CD2-CG2 4.23Å
25L94Very high92.8Very high0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-64.6-42.1-178.9-70.3174.8000111.5L21 E23 A28 Q29 L34 V56 L94 L98 M116 V118L21-L25 HydrophobicContact CD1-CD1 4.11Å; L21-L25 HydrophobicContact CD1-CG 4.07Å; L21-L25 HydrophobicContact CG-CD1 4.04Å; L21-L25 HydrophobicContact CG-CG 4.39Å; L21-L25 WeakPolarHBondContact O-CB 3.26Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 2.74Å; E23-L25 PolarHBondContact O-N 3.35Å; L25-A28 PolarHBondContact O-N 2.98Å; L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 PolarHBondContact O-N 3.36Å; L25-L34 HydrophobicContact CD2-CD1 3.81Å; L25-V56 HydrophobicContact CD2-CG2 4.33Å; L25-L94 HydrophobicContact CD1-CD2 3.7Å; L25-L98 HydrophobicContact CB-CD2 4.18Å; L25-M116 HydrophobicContact CD1-SD 4.18Å; L25-M116 HydrophobicContact CD2-CB 4.39Å; L25-M116 HydrophobicContact CD2-SD 4.26Å; L25-V118 HydrophobicContact CD2-CG2 4.16Å
26V92.3Very high92.9Very high29 Ų2944.9 Ų44.918%0.17623%0.226CC..Hα-helixtrans-64.5-43.1176172.30000111.2E22 E23 K30 L97E22-V26 WeakPolarHBondContact O-CG2 3.47Å; E22-V26 PolarHBondContact O-N 3.42Å; E23-V26 PolarHBondContact O-N 3.32Å; V26-K30 HydrophobicContact CG1-CD 4.19Å; V26-K30 WeakPolarHBondContact O-CG 3.14Å; V26-K30 PolarHBondContact O-N 2.82Å; V26-K30 VanDerWaalsContact O-N 3.13Å; V26-L97 HydrophobicContact CG2-CB 4.19Å; V26-L97 HydrophobicContact CG2-CD2 4.2Å
27T91.8Very high93Very high31 Ų3142.4 Ų42.419%0.1921%0.209CC..Hα-helixtrans-64.8-45.3176.6-63.90000111.1E23 L24 Q29 K30 Q31 D124E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.41Å; E23-T27 PolarHBondContact O-OG1 3.11Å; L24-T27 PolarHBondContact O-N 2.93Å; T27-Q29 VanDerWaalsContact C-N 3.31Å; T27-Q29 PolarHBondContact O-N 2.89Å; T27-K30 PolarHBondContact O-N 2.94Å; T27-Q31 HydrophobicContact CG2-CG 4.31Å; T27-Q31 WeakPolarHBondContact O-CB 3.06Å; T27-Q31 WeakPolarHBondContact O-CG 3.23Å; T27-Q31 PolarHBondContact O-N 3.36Å; T27-D124 WeakPolarHBondContact CB-OD2 3.46Å; T27-D124 HydrophobicContact CG2-CB 3.86Å; T27-D124 WeakPolarHBondContact CG2-OD2 3.27Å; T27-D124 PolarHBondContact OG1-OD2 2.95Å
28A91.9Very high92.9Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-60.3-41.6179.300000112L24 L25 Q31 H32 C33 L34 V118 L121L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.88Å; L25-A28 PolarHBondContact O-N 2.98Å; A28-Q31 PolarHBondContact O-N 3.33Å; A28-H32 PolarHBondContact O-N 2.95Å; A28-C33 PolarHBondContact O-N 2.86Å; A28-L34 HydrophobicContact CB-CB 3.99Å; A28-L34 HydrophobicContact CB-CD1 4.1Å; A28-L34 PolarHBondContact O-N 3.47Å; A28-V118 HydrophobicContact CB-CG1 4.06Å; A28-V118 HydrophobicContact CB-CG2 4.3Å; A28-L121 HydrophobicContact CB-CD1 4.24Å; A28-L121 HydrophobicContact CB-CD2 3.8Å
29Q90.4Very high92.8Very high72 Ų7249.1 Ų49.134%0.33624%0.236SC..Hα-helixtrans-60.9-49.9174.6-175.3-178.168.600111.6L25 T27 Q31 H32 L34 L98L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 PolarHBondContact O-N 3.36Å; T27-Q29 VanDerWaalsContact C-N 3.31Å; T27-Q29 PolarHBondContact O-N 2.89Å; Q29-Q31 PolarHBondContact O-N 2.91Å; Q29-H32 PolarHBondContact O-N 3.48Å; Q29-H32 VanDerWaalsContact O-N 3.08Å; Q29-L34 HydrophobicContact CB-CD2 3.92Å; Q29-L98 HydrophobicContact CB-CD2 4.1Å; Q29-L98 PolarHBondContact NE2-O 2.89Å; Q29-L98 PolarHBondContact OE1-O 2.87Å
30K89.3Confident92.8Very high155 Ų15549.7 Ų49.767%0.67424%0.237SC*.Hα-helixtrans-61.7-27.1179.9-73172-178.8171.80113.3V26 T27V26-K30 HydrophobicContact CG1-CD 4.19Å; V26-K30 WeakPolarHBondContact O-CG 3.14Å; V26-K30 PolarHBondContact O-N 2.82Å; V26-K30 VanDerWaalsContact O-N 3.13Å; T27-K30 PolarHBondContact O-N 2.94Å
31Q89.8Confident92.8Very high63 Ų6349.7 Ų49.729%0.29424%0.237SC..THydrogen-bonded Turntrans-93.41.9179.5-67.4-178.61.100113.4T27 A28 Q29 C33T27-Q31 HydrophobicContact CG2-CG 4.31Å; T27-Q31 WeakPolarHBondContact O-CB 3.06Å; T27-Q31 WeakPolarHBondContact O-CG 3.23Å; T27-Q31 PolarHBondContact O-N 3.36Å; A28-Q31 PolarHBondContact O-N 3.33Å; Q29-Q31 PolarHBondContact O-N 2.91Å; Q31-C33 PolarHBondContact O-N 2.85Å; Q31-C33 PolarHBondContact O-SG 3.34Å
32H88.8Confident92.8Very high179 Ų17951.2 Ų51.283%0.82925%0.249SC*.THydrogen-bonded Turntrans57.331.3-173.9-55.9-75.9000113.6A28 Q29A28-H32 PolarHBondContact O-N 2.95Å; Q29-H32 PolarHBondContact O-N 3.48Å; Q29-H32 VanDerWaalsContact O-N 3.08Å
33C92.8Very high92.9Very high24 Ų2457 Ų5716%0.16227%0.274CS..  trans-108.120.3176.5-63.40000111.8A28 Q31 V118 T119 L121A28-C33 PolarHBondContact O-N 2.86Å; Q31-C33 PolarHBondContact O-N 2.85Å; Q31-C33 PolarHBondContact O-SG 3.34Å; C33-V118 WeakPolarHBondContact O-CA 2.92Å; C33-T119 PolarHBondContact O-N 3.49Å; C33-T119 PolarHBondContact O-OG1 3.1Å; C33-L121 HydrophobicContact CB-CD2 3.35Å; C33-L121 HydrophobicContact CB-CG 4.42Å
34L93.6Very high93Very high27 Ų2754.7 Ų54.714%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-119.3122.4178.5-167.971.7000109.5L25 A28 Q29 V36 L98 M116 L117 V118L25-L34 HydrophobicContact CD2-CD1 3.81Å; A28-L34 HydrophobicContact CB-CB 3.99Å; A28-L34 HydrophobicContact CB-CD1 4.1Å; A28-L34 PolarHBondContact O-N 3.47Å; Q29-L34 HydrophobicContact CB-CD2 3.92Å; L34-V36 HydrophobicContact CD2-CG2 3.75Å; L34-V36 HydrophobicContact CG-CG2 3.81Å; L34-L98 HydrophobicContact CD2-CD1 4.16Å; L34-L98 HydrophobicContact CD2-CD2 3.96Å; L34-M116 HydrophobicContact CD1-CB 4.12Å; L34-L117 WeakPolarHBondContact CA-O 3.2Å; L34-V118 HydrophobicContact CD1-CG2 3.84Å
35T94.3Very high93Very high36 Ų3654.9 Ų54.922%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-100.4136.4166.4-58.40000108.1E40 L44 M116 L117T35-E40 HydrophobicContact CG2-CB 3.68Å; T35-L44 HydrophobicContact CG2-CD2 4.48Å; T35-L44 WeakPolarHBondContact OG1-CD2 3.49Å; T35-M116 CarbonylContact O-C 3.48Å; T35-M116 WeakPolarHBondContact O-CA 3.38Å; T35-L117 PolarHBondContact N-O 3.3Å; T35-L117 PolarHBondContact O-N 3.01Å
36V93.4Very high93.1Very high45 Ų4561 Ų6127%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-131.6136.4-173.7-176.40000108.6L34 D112 L113 C115 M116L34-V36 HydrophobicContact CD2-CG2 3.75Å; L34-V36 HydrophobicContact CG-CG2 3.81Å; V36-D112 WeakPolarHBondContact CG1-O 3.06Å; V36-L113 HydrophobicContact CG1-CD2 3.39Å; V36-C115 CarbonylContact C-O 3.49Å; V36-C115 WeakPolarHBondContact CA-O 3.13Å; V36-M116 HydrophobicContact CG1-CG 4.22Å; V36-M116 HydrophobicContact CG2-CG 4.19Å
37G92.8Very high93.3Very high1 Ų163.5 Ų63.51%0.0132%0.322CS..SBendtrans110.2143.3-176.400000112.6Y39 S41 D112 C115G37-Y39 VanDerWaalsContact C-N 3.33Å; G37-Y39 PolarHBondContact O-N 3.46Å; G37-S41 WeakPolarHBondContact O-CB 3.43Å; G37-S41 PolarHBondContact O-N 3.41Å; G37-S41 PolarHBondContact O-OG 2.74Å; G37-D112 WeakPolarHBondContact CA-O 3.29Å; G37-D112 PolarHBondContact N-O 3.4Å; G37-D112 VanDerWaalsContact N-O 3.11Å; G37-C115 PolarHBondContact N-O 3.4Å
38I93.7Very high93.5Very high14 Ų1465.7 Ų65.77%0.07233%0.332CS..Hα-helixtrans-59.8-46.1178.7-69.1-71.4000110.9A42 L67 H70 F71 L74 D112 H114 C115I38-A42 WeakPolarHBondContact O-CB 3.49Å; I38-A42 PolarHBondContact O-N 3.05Å; I38-L67 HydrophobicContact CD1-CD1 4.24Å; I38-L67 HydrophobicContact CG1-CD1 4.22Å; I38-H70 HydrophobicContact CD1-CB 4.26Å; I38-H70 HydrophobicContact CG2-CB 3.75Å; I38-F71 HydrophobicContact CD1-CD1 3.88Å; I38-F71 HydrophobicContact CD1-CE1 3.68Å; I38-L74 HydrophobicContact CD1-CD1 3.6Å; I38-L74 HydrophobicContact CG2-CD1 4.49Å; I38-D112 WeakPolarHBondContact CB-OD2 3.5Å; I38-D112 VanDerWaalsContact CG1-OD2 3.25Å; I38-D112 WeakPolarHBondContact CG1-OD2 3.33Å; I38-D112 PolarHBondContact N-OD2 3.39Å; I38-H114 HydrophobicContact CD1-CB 4.19Å; I38-H114 HydrophobicContact CG1-CB 4.09Å; I38-C115 HydrophobicContact CD1-CB 3.6Å; I38-C115 HydrophobicContact CG1-CB 4.28Å
39Y92.4Very high93.6Very high169 Ų16967.4 Ų67.466%0.66334%0.344SS*.Hα-helixtrans-71-45.9-174.2-176.3-104000111.8G37 S41 A42 K43G37-Y39 VanDerWaalsContact C-N 3.33Å; G37-Y39 PolarHBondContact O-N 3.46Å; Y39-S41 VanDerWaalsContact C-N 3.31Å; Y39-S41 PolarHBondContact O-N 2.73Å; Y39-A42 PolarHBondContact O-N 3.35Å; Y39-K43 WeakPolarHBondContact O-CB 3.45Å; Y39-K43 PolarHBondContact O-N 3.45Å
40E93.7Very high93.7Very high93 Ų9371.4 Ų71.444%0.43537%0.367SS..Hα-helixtrans-61.6-42.4177.2-70.862.4-144.300110.5T35 K43 L44T35-E40 HydrophobicContact CG2-CB 3.68Å; E40-K43 PolarHBondContact O-N 3.03Å; E40-L44 PolarHBondContact O-N 3.14Å
41S95.6Very high93.9Very high0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-64-47.5176.6-620000111.7G37 Y39 K43 L44 L45 C115 L117G37-S41 WeakPolarHBondContact O-CB 3.43Å; G37-S41 PolarHBondContact O-N 3.41Å; G37-S41 PolarHBondContact O-OG 2.74Å; Y39-S41 VanDerWaalsContact C-N 3.31Å; Y39-S41 PolarHBondContact O-N 2.73Å; S41-K43 VanDerWaalsContact C-N 3.29Å; S41-K43 PolarHBondContact O-N 3.21Å; S41-L44 PolarHBondContact O-N 3.18Å; S41-L45 WeakPolarHBondContact O-CB 3.3Å; S41-L45 WeakPolarHBondContact O-CG 3.39Å; S41-L45 PolarHBondContact O-N 3.39Å; S41-C115 WeakPolarHBondContact CB-SG 3.35Å; S41-C115 PolarHBondContact OG-SG 3.01Å; S41-L117 WeakPolarHBondContact O-CD1 3.38Å
42A95.8Very high94.2Very high32 Ų3262.8 Ų62.826%0.26433%0.333SS..Hα-helixtrans-61-38.7175.400000112I38 Y39 N46I38-A42 WeakPolarHBondContact O-CB 3.49Å; I38-A42 PolarHBondContact O-N 3.05Å; Y39-A42 PolarHBondContact O-N 3.35Å; A42-N46 WeakPolarHBondContact O-CB 3.28Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.8Å; A42-N46 PolarHBondContact O-ND2 3Å
43K95.7Very high94.5Very high142 Ų14256 Ų5662%0.61730%0.304SS*.Hα-helixtrans-63.8-44.6176.4-175.1-178.1178.2-175.90111.7Y39 E40 S41 N46 A47Y39-K43 WeakPolarHBondContact O-CB 3.45Å; Y39-K43 PolarHBondContact O-N 3.45Å; E40-K43 PolarHBondContact O-N 3.03Å; S41-K43 VanDerWaalsContact C-N 3.29Å; S41-K43 PolarHBondContact O-N 3.21Å; K43-N46 PolarHBondContact O-N 3.39Å; K43-A47 WeakPolarHBondContact O-CB 3.44Å; K43-A47 PolarHBondContact O-N 3.32Å; K43-A47 VanDerWaalsContact O-N 3.14Å
44L95.8Very high94.7Very high36 Ų3654.9 Ų54.919%0.18830%0.297CS..Hα-helixtrans-64.6-48.2177.5176.958000111.3T35 E40 S41 N46 A47 D48 V52 L117 T119T35-L44 HydrophobicContact CG2-CD2 4.48Å; T35-L44 WeakPolarHBondContact OG1-CD2 3.49Å; E40-L44 PolarHBondContact O-N 3.14Å; S41-L44 PolarHBondContact O-N 3.18Å; L44-N46 PolarHBondContact O-N 2.93Å; L44-A47 PolarHBondContact O-N 2.98Å; L44-D48 CarbonylContact O-C 3.54Å; L44-D48 PolarHBondContact O-N 3.14Å; L44-V52 HydrophobicContact CD2-CG2 3.84Å; L44-V52 HydrophobicContact CG-CG2 3.99Å; L44-L117 HydrophobicContact CB-CD1 4.24Å; L44-L117 HydrophobicContact CD2-CB 4.44Å; L44-L117 HydrophobicContact CD2-CD1 4.03Å; L44-L117 HydrophobicContact CG-CD1 4.37Å; L44-T119 HydrophobicContact CD2-CG2 3.8Å
45L96.4Very high94.9Very high4 Ų453.6 Ų53.62%0.02129%0.29CS..Hα-helixtrans-59.6-35.3178.5-72.9167.6000112.7S41 P49 V52 L74 F77 I83 L117S41-L45 WeakPolarHBondContact O-CB 3.3Å; S41-L45 WeakPolarHBondContact O-CG 3.39Å; S41-L45 PolarHBondContact O-N 3.39Å; L45-P49 WeakPolarHBondContact O-CB 3.44Å; L45-P49 VanDerWaalsContact O-CD 3.32Å; L45-P49 WeakPolarHBondContact O-CD 3.35Å; L45-V52 HydrophobicContact CD2-CB 4.33Å; L45-V52 HydrophobicContact CD2-CG1 4.31Å; L45-V52 HydrophobicContact CD2-CG2 4.13Å; L45-L74 HydrophobicContact CD1-CD2 3.59Å; L45-F77 HydrophobicContact CB-CD1 3.99Å; L45-F77 HydrophobicContact CB-CE1 3.64Å; L45-F77 HydrophobicContact CB-CZ 4.09Å; L45-F77 HydrophobicContact CD1-CD1 4.08Å; L45-F77 HydrophobicContact CD1-CE1 4.49Å; L45-F77 HydrophobicContact CD2-CD1 3.91Å; L45-F77 HydrophobicContact CD2-CE1 3.68Å; L45-F77 HydrophobicContact CG-CD1 4.2Å; L45-F77 HydrophobicContact CG-CE1 4.11Å; L45-F77 VanDerWaalsContact O-CZ 3.28Å; L45-F77 WeakPolarHBondContact O-CZ 3.32Å; L45-I83 HydrophobicContact CD2-CD1 3.59Å; L45-L117 HydrophobicContact CD1-CD1 4.06Å; L45-L117 HydrophobicContact CD1-CD2 4.41Å; L45-L117 HydrophobicContact CD2-CD1 4.17Å; L45-L117 HydrophobicContact CG-CD1 3.71Å
46N95.1Very high95.1Very high128 Ų12851.9 Ų51.968%0.68428%0.279SS*.Hα-helixtrans-72.8-27.6174.7-76.4-43.9000113.4A42 K43 L44A42-N46 WeakPolarHBondContact O-CB 3.28Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.8Å; A42-N46 PolarHBondContact O-ND2 3Å; K43-N46 PolarHBondContact O-N 3.39Å; L44-N46 PolarHBondContact O-N 2.93Å
47A96.6Very high95.2Very high82 Ų8249.8 Ų49.868%0.67827%0.266SS*.Hα-helixtrans-90.6-45-175.800000112.8K43 L44K43-A47 WeakPolarHBondContact O-CB 3.44Å; K43-A47 PolarHBondContact O-N 3.32Å; K43-A47 VanDerWaalsContact O-N 3.14Å; L44-A47 PolarHBondContact O-N 2.98Å
48D95.4Very high95.4Very high78 Ų7849.7 Ų49.742%0.41727%0.266SS..  trans-154.975.5-174.2-173.24.5000111.3L44 D50 S51L44-D48 CarbonylContact O-C 3.54Å; L44-D48 PolarHBondContact O-N 3.14Å; D48-D50 VanDerWaalsContact C-N 3.26Å; D48-D50 PolarHBondContact O-N 3.28Å; D48-S51 PolarHBondContact O-N 3.38Å; D48-S51 PolarHBondContact O-OG 3.32Å; D48-S51 PolarHBondContact OD1-N 3.47Å; D48-S51 WeakPolarHBondContact OD2-CB 3.4Å
49P94.3Very high95.3Very high36 Ų3649.7 Ų49.723%0.23427%0.268CS..G310 helixtrans-68.1-25.6-18028.1-33.5000112.9L45 S51 V52 F77L45-P49 WeakPolarHBondContact O-CB 3.44Å; L45-P49 VanDerWaalsContact O-CD 3.32Å; L45-P49 WeakPolarHBondContact O-CD 3.35Å; P49-S51 PolarHBondContact O-N 2.88Å; P49-V52 PolarHBondContact O-N 2.89Å; P49-V52 VanDerWaalsContact O-N 3.17Å; P49-F77 HydrophobicContact CB-CE1 3.81Å; P49-F77 HydrophobicContact CB-CZ 3.91Å; P49-F77 HydrophobicContact CG-CZ 4.34Å
50D93.1Very high95.1Very high155 Ų15546.3 Ų46.383%0.82926%0.261SS*.G310 helixtrans-68.5-23.1-179.2-66.8-35.5000112.3D48 V52D48-D50 VanDerWaalsContact C-N 3.26Å; D48-D50 PolarHBondContact O-N 3.28Å; D50-V52 VanDerWaalsContact C-N 3.28Å; D50-V52 PolarHBondContact O-N 3.04Å
51S93.5Very high94.4Very high29 Ų2946 Ų4620%0.20326%0.262CS..G310 helixtrans-72.7-19.8175.272.60000114D48 P49 T119 N120D48-S51 PolarHBondContact O-N 3.38Å; D48-S51 PolarHBondContact O-OG 3.32Å; D48-S51 PolarHBondContact OD1-N 3.47Å; D48-S51 WeakPolarHBondContact OD2-CB 3.4Å; P49-S51 PolarHBondContact O-N 2.88Å; S51-T119 WeakPolarHBondContact O-CA 3.33Å; S51-T119 WeakPolarHBondContact O-CB 3.41Å; S51-N120 PolarHBondContact O-N 3.16Å; S51-N120 VanDerWaalsContact O-N 3.11Å
52V95.8Very high93.6Very high8 Ų852.1 Ų52.15%0.04829%0.291CS..EExtended strand (participates in β ladder)trans-92.5126.3-171.7179.20000110.2L44 L45 P49 D50 I83 L117 T119L44-V52 HydrophobicContact CD2-CG2 3.84Å; L44-V52 HydrophobicContact CG-CG2 3.99Å; L45-V52 HydrophobicContact CD2-CB 4.33Å; L45-V52 HydrophobicContact CD2-CG1 4.31Å; L45-V52 HydrophobicContact CD2-CG2 4.13Å; P49-V52 PolarHBondContact O-N 2.89Å; P49-V52 VanDerWaalsContact O-N 3.17Å; D50-V52 VanDerWaalsContact C-N 3.28Å; D50-V52 PolarHBondContact O-N 3.04Å; V52-I83 HydrophobicContact CB-CD1 4.2Å; V52-I83 HydrophobicContact CG1-CD1 4.27Å; V52-I83 HydrophobicContact CG1-CG2 3.94Å; V52-L117 HydrophobicContact CG1-CB 4.1Å; V52-L117 HydrophobicContact CG1-CD1 4.4Å; V52-L117 HydrophobicContact CG1-CD2 4.09Å; V52-L117 HydrophobicContact CG1-CG 4.42Å; V52-L117 HydrophobicContact CG2-CD1 4.12Å; V52-T119 HydrophobicContact CG2-CG2 4.23Å
53V94.7Very high93Very high37 Ų3758.8 Ų58.822%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-110-21.7-176.6-64.60000113.4V118 N120 L128V53-V118 HydrophobicContact CG2-CB 4.36Å; V53-V118 HydrophobicContact CG2-CG1 4.1Å; V53-V118 VanDerWaalsContact CG2-O 3.26Å; V53-V118 WeakPolarHBondContact CG2-O 3.33Å; V53-V118 PolarHBondContact N-O 3.36Å; V53-N120 HydrophobicContact CG1-CB 4.26Å; V53-L128 HydrophobicContact CB-CD1 4.43Å; V53-L128 HydrophobicContact CB-CD2 4.2Å; V53-L128 HydrophobicContact CG2-CD1 3.85Å; V53-L128 HydrophobicContact CG2-CD2 3.75Å; V53-L128 HydrophobicContact CG2-CG 4.46Å
54L96.7Very high92.6Very high1 Ų155.7 Ų55.71%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-149.6138177.6178.971.6000110.5L21 L24 V56 N84 L86 L117 V118 L128 V131L21-L54 HydrophobicContact CD1-CD2 4.01Å; L24-L54 HydrophobicContact CD2-CD2 3.49Å; L24-L54 VanDerWaalsContact CD2-CD2 3.49Å; L54-V56 HydrophobicContact CD2-CG2 4.01Å; L54-V56 HydrophobicContact CG-CG2 4.1Å; L54-N84 CarbonylContact C-O 3.45Å; L54-N84 VanDerWaalsContact CA-O 3.32Å; L54-N84 WeakPolarHBondContact CA-O 3.47Å; L54-N84 HydrophobicContact CD1-CB 3.83Å; L54-L86 HydrophobicContact CD1-CD2 4.16Å; L54-L117 WeakPolarHBondContact O-CA 3.48Å; L54-V118 HydrophobicContact CB-CB 4.12Å; L54-V118 HydrophobicContact CB-CG2 4.38Å; L54-V118 HydrophobicContact CD2-CG2 4.24Å; L54-V118 PolarHBondContact N-O 3.07Å; L54-V118 PolarHBondContact O-N 3.27Å; L54-L128 HydrophobicContact CB-CD1 4.17Å; L54-V131 HydrophobicContact CD1-CG1 3.9Å; L54-V131 HydrophobicContact CD2-CG1 3.94Å
55C97.8Very high92.4Very high0 Ų058.9 Ų58.90%033%0.328CS..EExtended strand (participates in β ladder)trans-117.2129.8170.8177.80000109.7I83 N84 I85 L86 L117C55-I83 HydrophobicContact CB-CG2 4.29Å; C55-N84 PolarHBondContact N-O 2.93Å; C55-I85 HydrophobicContact CB-CB 4.22Å; C55-I85 HydrophobicContact CB-CD1 4.37Å; C55-I85 HydrophobicContact CB-CG1 4.01Å; C55-I85 VanDerWaalsContact O-CA 3.27Å; C55-I85 WeakPolarHBondContact O-CA 3.29Å; C55-L86 PolarHBondContact O-N 2.88Å; C55-L86 VanDerWaalsContact O-N 3.08Å; C55-L117 HydrophobicContact CB-CD2 3.56Å; C55-L117 VanDerWaalsContact SG-CD2 3.53Å
56V97.9Very high92.1Very high0 Ų061.3 Ų61.30%035%0.348CS..EExtended strand (participates in β ladder)trans-119.6121.7178.1-177.30000108.1L21 L25 L54 L86 V88 C115 M116L21-V56 HydrophobicContact CD1-CG2 3.92Å; L25-V56 HydrophobicContact CD2-CG2 4.33Å; L54-V56 HydrophobicContact CD2-CG2 4.01Å; L54-V56 HydrophobicContact CG-CG2 4.1Å; V56-L86 HydrophobicContact CG1-CD1 3.97Å; V56-L86 HydrophobicContact CG2-CD1 4.35Å; V56-L86 HydrophobicContact CG2-CG 4.48Å; V56-V88 HydrophobicContact CG1-CG1 3.94Å; V56-V88 HydrophobicContact CG1-CG2 3.74Å; V56-C115 CarbonylContact O-C 3.56Å; V56-C115 WeakPolarHBondContact O-CA 3.49Å; V56-M116 HydrophobicContact CB-CB 4.31Å; V56-M116 HydrophobicContact CB-CE 3.97Å; V56-M116 HydrophobicContact CG1-CE 3.58Å; V56-M116 PolarHBondContact N-O 2.96Å; V56-M116 PolarHBondContact O-N 3.49Å
57L97.3Very high91.9Very high0 Ų055.9 Ų55.90%032%0.319CS..EExtended strand (participates in β ladder)trans-104.5124.7174.4-60.2-179.8000109.5F71 L74 Q75 I85 L86 R87 V88 H114 C115L57-F71 HydrophobicContact CB-CD1 4.35Å; L57-F71 HydrophobicContact CB-CD2 4.42Å; L57-F71 HydrophobicContact CB-CE1 4.17Å; L57-F71 HydrophobicContact CB-CE2 4.21Å; L57-F71 HydrophobicContact CB-CG 4.46Å; L57-F71 HydrophobicContact CB-CZ 4.08Å; L57-F71 HydrophobicContact CD1-CB 4.09Å; L57-F71 HydrophobicContact CD1-CD1 4.26Å; L57-F71 HydrophobicContact CD1-CG 4.09Å; L57-F71 HydrophobicContact CD2-CD1 3.94Å; L57-F71 HydrophobicContact CD2-CE1 4.07Å; L57-F71 HydrophobicContact CG-CD1 4.42Å; L57-L74 HydrophobicContact CD2-CB 4.2Å; L57-L74 HydrophobicContact CD2-CD1 3.84Å; L57-Q75 HydrophobicContact CD1-CG 3.51Å; L57-I85 HydrophobicContact CD1-CD1 3.91Å; L57-I85 HydrophobicContact CG-CD1 4.27Å; L57-L86 PolarHBondContact N-O 2.77Å; L57-R87 HydrophobicContact CB-CG 4.07Å; L57-R87 CarbonylContact O-C 3.58Å; L57-R87 VanDerWaalsContact O-CA 3.25Å; L57-R87 WeakPolarHBondContact O-CA 3.42Å; L57-V88 PolarHBondContact O-N 3.26Å; L57-H114 CarbonylContact C-O 3.56Å; L57-H114 WeakPolarHBondContact CA-O 3.17Å; L57-C115 HydrophobicContact CD2-CB 4.06Å
58A95.5Very high91.7Very high0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-119.5120.4-174.300000112.6F71 V88 V91 L94 L113 H114 M116A58-F71 WeakPolarHBondContact O-CZ 3.32Å; A58-V88 VanDerWaalsContact CA-O 3.31Å; A58-V88 WeakPolarHBondContact CA-O 3.37Å; A58-V88 HydrophobicContact CB-CG2 3.45Å; A58-V88 VanDerWaalsContact CB-CG2 3.45Å; A58-V91 HydrophobicContact CB-CG2 4.15Å; A58-L94 HydrophobicContact CB-CD1 3.38Å; A58-L113 WeakPolarHBondContact CB-O 3.39Å; A58-H114 PolarHBondContact N-O 3.05Å; A58-H114 WeakPolarHBondContact O-CA 3.41Å; A58-H114 PolarHBondContact O-ND1 3.41Å; A58-M116 HydrophobicContact CB-CE 4Å
59A92.1Very high91.7Very high13 Ų1354.6 Ų54.611%0.10730%0.299CS..  trans-151139.6171.600000110.8L67 F71 V88A59-L67 HydrophobicContact CB-CD2 4.22Å; A59-F71 HydrophobicContact CB-CE2 3.56Å; A59-F71 HydrophobicContact CB-CZ 4.02Å; A59-V88 PolarHBondContact N-O 3.39Å
60D87.4Confident91.7Very high98 Ų9857 Ų5752%0.52431%0.307SS..SBendtrans-98.5-20.5168.6-73-34.4000112.1S89 G90 V91D60-S89 WeakPolarHBondContact OD1-CA 3.38Å; D60-S89 WeakPolarHBondContact OD1-CB 3.43Å; D60-G90 PolarHBondContact OD1-N 3.25Å; D60-V91 HydrophobicContact CB-CG2 4.4Å; D60-V91 WeakPolarHBondContact OD2-CB 3.41Å; D60-V91 WeakPolarHBondContact OD2-CG2 3.27Å; D60-V91 PolarHBondContact OD2-N 3.02Å
61D80.4Confident91.9Very high86 Ų8649.7 Ų49.746%0.4627%0.267SS..  trans-118.7124.4-178.3-173.13.2000110.2E63D61-E63 VanDerWaalsContact OD1-CB 3.23Å; D61-E63 WeakPolarHBondContact OD1-CB 3.32Å; D61-E63 VanDerWaalsContact OD1-CG 3.32Å; D61-E63 WeakPolarHBondContact OD1-CG 3.43Å; D61-E63 PolarHBondContact OD1-N 3.33Å
62E78Confident92Very high130 Ų13052.3 Ų52.361%0.60728%0.282SS*.SBendtrans-95.8-1.1178-57.1-129.899.900112.6R87E62-R87 IonicContact OE1-CZ 2.93Å; E62-R87 IonicContact OE1-NH1 3.21Å; E62-R87 PolarHBondContact OE1-NH1 3.45Å
63E83.4Confident92Very high171 Ų17157.2 Ų57.280%0.79931%0.308SS*.  trans-78-17.5-179-59.2-170.890.300113.1D61 V65D61-E63 VanDerWaalsContact OD1-CB 3.23Å; D61-E63 WeakPolarHBondContact OD1-CB 3.32Å; D61-E63 VanDerWaalsContact OD1-CG 3.32Å; D61-E63 WeakPolarHBondContact OD1-CG 3.43Å; D61-E63 PolarHBondContact OD1-N 3.33Å; E63-V65 PolarHBondContact O-N 2.95Å
64D88.4Confident92.1Very high77 Ų7756 Ų5641%0.41230%0.3SS..  trans-75.391.5174-170.4-23.8000111.5A66 L67 Q68D64-A66 PolarHBondContact O-N 3.46Å; D64-A66 WeakPolarHBondContact OD1-CA 3.25Å; D64-A66 WeakPolarHBondContact OD1-CB 3.34Å; D64-A66 PolarHBondContact OD1-N 2.97Å; D64-L67 HydrophobicContact CB-CB 3.85Å; D64-L67 PolarHBondContact O-N 3.48Å; D64-L67 PolarHBondContact OD1-N 3.31Å; D64-Q68 WeakPolarHBondContact O-CG 3.1Å; D64-Q68 PolarHBondContact O-N 2.82Å
65V90.6Very high92.1Very high103 Ų10357.7 Ų57.762%0.62431%0.308SS*.Hα-helixtrans-55.6-37.4177.61770000112.4E63 Q68 I69E63-V65 PolarHBondContact O-N 2.95Å; V65-Q68 PolarHBondContact O-N 2.64Å; V65-I69 HydrophobicContact CG1-CD1 4.07Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.46Å; V65-I69 PolarHBondContact O-N 2.87Å
66A90.6Very high92Very high55 Ų5560.9 Ų60.946%0.45533%0.33SS..Hα-helixtrans-68.4-44-178.600000110.4D64 Q68 I69 H70D64-A66 PolarHBondContact O-N 3.46Å; D64-A66 WeakPolarHBondContact OD1-CA 3.25Å; D64-A66 WeakPolarHBondContact OD1-CB 3.34Å; D64-A66 PolarHBondContact OD1-N 2.97Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; A66-Q68 PolarHBondContact O-N 2.82Å; A66-I69 WeakPolarHBondContact O-CB 3.04Å; A66-I69 PolarHBondContact O-N 2.94Å; A66-H70 PolarHBondContact O-CD2 3.43Å; A66-H70 PolarHBondContact O-N 2.88Å; A66-H70 VanDerWaalsContact O-N 3.16Å
67L91Very high92Very high15 Ų1563.8 Ų63.88%0.07934%0.343CS..Hα-helixtrans-61.8-43.2174.7-175.160.2000111.8I38 A59 D64 I69 H70 F71 H114I38-L67 HydrophobicContact CD1-CD1 4.24Å; I38-L67 HydrophobicContact CG1-CD1 4.22Å; A59-L67 HydrophobicContact CB-CD2 4.22Å; D64-L67 HydrophobicContact CB-CB 3.85Å; D64-L67 PolarHBondContact O-N 3.48Å; D64-L67 PolarHBondContact OD1-N 3.31Å; L67-I69 VanDerWaalsContact C-N 3.3Å; L67-I69 PolarHBondContact O-N 3.11Å; L67-H70 WeakPolarHBondContact O-CB 3.16Å; L67-H70 PolarHBondContact O-N 3.4Å; L67-H70 VanDerWaalsContact O-N 3.1Å; L67-F71 HydrophobicContact CD1-CD1 4.09Å; L67-F71 HydrophobicContact CD1-CE1 3.62Å; L67-F71 HydrophobicContact CD1-CZ 4.02Å; L67-F71 HydrophobicContact CD2-CE2 4.48Å; L67-F71 HydrophobicContact CD2-CZ 4.17Å; L67-F71 HydrophobicContact CG-CD1 4.37Å; L67-F71 HydrophobicContact CG-CE1 4.02Å; L67-F71 HydrophobicContact CG-CE2 4.32Å; L67-F71 HydrophobicContact CG-CZ 4.02Å; L67-F71 PolarHBondContact O-N 2.84Å; L67-H114 HydrophobicContact CD1-CB 3.72Å; L67-H114 HydrophobicContact CD2-CB 4.42Å
68Q92.6Very high91.9Very high34 Ų3463.8 Ų63.816%0.15934%0.343CS..Hα-helixtrans-64.4-33.6178.2-65.9-55.1-3700112.8D64 V65 A66 F71 T72D64-Q68 WeakPolarHBondContact O-CG 3.1Å; D64-Q68 PolarHBondContact O-N 2.82Å; V65-Q68 PolarHBondContact O-N 2.64Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; A66-Q68 PolarHBondContact O-N 2.82Å; Q68-F71 PolarHBondContact O-N 3.03Å; Q68-T72 WeakPolarHBondContact O-CB 3.33Å; Q68-T72 PolarHBondContact O-N 3.28Å; Q68-T72 PolarHBondContact O-OG1 2.8Å
69I94.8Very high91.9Very high98 Ų9865.7 Ų65.750%0.50336%0.356SS..Hα-helixtrans-61.7-48.2171.1-70.6163.6000109.8V65 A66 L67 F71 T72 L73V65-I69 HydrophobicContact CG1-CD1 4.07Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.46Å; V65-I69 PolarHBondContact O-N 2.87Å; A66-I69 WeakPolarHBondContact O-CB 3.04Å; A66-I69 PolarHBondContact O-N 2.94Å; L67-I69 VanDerWaalsContact C-N 3.3Å; L67-I69 PolarHBondContact O-N 3.11Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 2.84Å; I69-T72 PolarHBondContact O-N 2.78Å; I69-L73 HydrophobicContact CG2-CD1 4.27Å; I69-L73 WeakPolarHBondContact O-CG 3.28Å; I69-L73 PolarHBondContact O-N 2.69Å; I69-L73 VanDerWaalsContact O-N 3.07Å
70H94.6Very high92Very high88 Ų8871.4 Ų71.441%0.40738%0.384SS..Hα-helixtrans-61-42.9177.8-75.7-65.6000112.5I38 A66 L67 T72 L73 L74I38-H70 HydrophobicContact CD1-CB 4.26Å; I38-H70 HydrophobicContact CG2-CB 3.75Å; A66-H70 PolarHBondContact O-CD2 3.43Å; A66-H70 PolarHBondContact O-N 2.88Å; A66-H70 VanDerWaalsContact O-N 3.16Å; L67-H70 WeakPolarHBondContact O-CB 3.16Å; L67-H70 PolarHBondContact O-N 3.4Å; L67-H70 VanDerWaalsContact O-N 3.1Å; H70-T72 VanDerWaalsContact C-N 3.34Å; H70-T72 PolarHBondContact O-N 3.43Å; H70-L73 PolarHBondContact O-N 3.44Å; H70-L74 WeakPolarHBondContact O-CG 3.41Å; H70-L74 PolarHBondContact O-N 3.29Å
71F95.9Very high92.2Very high0 Ų069.5 Ų69.50%038%0.379CS..Hα-helixtrans-60.1-45175.4-77.35.4000111.8I38 L57 A58 A59 L67 Q68 I69 L73 L74 Q75 H114I38-F71 HydrophobicContact CD1-CD1 3.88Å; I38-F71 HydrophobicContact CD1-CE1 3.68Å; L57-F71 HydrophobicContact CB-CD1 4.35Å; L57-F71 HydrophobicContact CB-CD2 4.42Å; L57-F71 HydrophobicContact CB-CE1 4.17Å; L57-F71 HydrophobicContact CB-CE2 4.21Å; L57-F71 HydrophobicContact CB-CG 4.46Å; L57-F71 HydrophobicContact CB-CZ 4.08Å; L57-F71 HydrophobicContact CD1-CB 4.09Å; L57-F71 HydrophobicContact CD1-CD1 4.26Å; L57-F71 HydrophobicContact CD1-CG 4.09Å; L57-F71 HydrophobicContact CD2-CD1 3.94Å; L57-F71 HydrophobicContact CD2-CE1 4.07Å; L57-F71 HydrophobicContact CG-CD1 4.42Å; A58-F71 WeakPolarHBondContact O-CZ 3.32Å; A59-F71 HydrophobicContact CB-CE2 3.56Å; A59-F71 HydrophobicContact CB-CZ 4.02Å; L67-F71 HydrophobicContact CD1-CD1 4.09Å; L67-F71 HydrophobicContact CD1-CE1 3.62Å; L67-F71 HydrophobicContact CD1-CZ 4.02Å; L67-F71 HydrophobicContact CD2-CE2 4.48Å; L67-F71 HydrophobicContact CD2-CZ 4.17Å; L67-F71 HydrophobicContact CG-CD1 4.37Å; L67-F71 HydrophobicContact CG-CE1 4.02Å; L67-F71 HydrophobicContact CG-CE2 4.32Å; L67-F71 HydrophobicContact CG-CZ 4.02Å; L67-F71 PolarHBondContact O-N 2.84Å; Q68-F71 PolarHBondContact O-N 3.03Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 2.84Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 3.32Å; F71-L74 PolarHBondContact O-N 2.85Å; F71-Q75 VanDerWaalsContact O-CB 3.29Å; F71-Q75 WeakPolarHBondContact O-CB 3.37Å; F71-Q75 WeakPolarHBondContact O-CG 3.42Å; F71-Q75 PolarHBondContact O-N 2.47Å; F71-H114 HydrophobicContact CE1-CB 3.86Å; F71-H114 WeakPolarHBondContact CE1-O 3.5Å; F71-H114 HydrophobicContact CZ-CB 3.95Å; F71-H114 WeakPolarHBondContact CZ-O 3.48Å
72T96.1Very high92.8Very high84 Ų8467.8 Ų67.852%0.51538%0.382SS..Hα-helixtrans-58.5-43.4177.6-58.10000111.5Q68 I69 H70 Q75 S76Q68-T72 WeakPolarHBondContact O-CB 3.33Å; Q68-T72 PolarHBondContact O-N 3.28Å; Q68-T72 PolarHBondContact O-OG1 2.8Å; I69-T72 PolarHBondContact O-N 2.78Å; H70-T72 VanDerWaalsContact C-N 3.34Å; H70-T72 PolarHBondContact O-N 3.43Å; T72-Q75 PolarHBondContact O-N 2.97Å; T72-S76 PolarHBondContact O-N 2.88Å
73L96.6Very high93.6Very high111 Ų11162.1 Ų62.158%0.58136%0.355SS*.Hα-helixtrans-64.4-47.7178-66.8172.8000112I69 H70 F71 Q75 S76 F77I69-L73 HydrophobicContact CG2-CD1 4.27Å; I69-L73 WeakPolarHBondContact O-CG 3.28Å; I69-L73 PolarHBondContact O-N 2.69Å; I69-L73 VanDerWaalsContact O-N 3.07Å; H70-L73 PolarHBondContact O-N 3.44Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 3.32Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.1Å; L73-S76 PolarHBondContact O-N 3.24Å; L73-F77 PolarHBondContact O-N 3.36Å
74L96.7Very high94.2Very high11 Ų1155.9 Ų55.96%0.05833%0.328CS..Hα-helixtrans-63.9-39.9178.5-73.1166.6000111.8I38 L45 L57 H70 F71 F77 C78 C115I38-L74 HydrophobicContact CD1-CD1 3.6Å; I38-L74 HydrophobicContact CG2-CD1 4.49Å; L45-L74 HydrophobicContact CD1-CD2 3.59Å; L57-L74 HydrophobicContact CD2-CB 4.2Å; L57-L74 HydrophobicContact CD2-CD1 3.84Å; H70-L74 WeakPolarHBondContact O-CG 3.41Å; H70-L74 PolarHBondContact O-N 3.29Å; F71-L74 PolarHBondContact O-N 2.85Å; L74-F77 PolarHBondContact O-N 2.96Å; L74-C78 WeakPolarHBondContact O-CB 3.11Å; L74-C78 PolarHBondContact O-N 3.45Å; L74-C78 PolarHBondContact O-SG 3.31Å; L74-C115 HydrophobicContact CD1-CB 4.17Å
75Q96.4Very high94.6Very high37 Ų3752.2 Ų52.217%0.17331%0.308CS..Hα-helixtrans-60.6-51175.3-74.9175.8-22.900111.6L57 F71 T72 L73 F77 C78 C79 I85 V145L57-Q75 HydrophobicContact CD1-CG 3.51Å; F71-Q75 VanDerWaalsContact O-CB 3.29Å; F71-Q75 WeakPolarHBondContact O-CB 3.37Å; F71-Q75 WeakPolarHBondContact O-CG 3.42Å; F71-Q75 PolarHBondContact O-N 2.47Å; T72-Q75 PolarHBondContact O-N 2.97Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.1Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.29Å; Q75-C78 PolarHBondContact O-N 2.88Å; Q75-C79 VanDerWaalsContact O-CB 3.27Å; Q75-C79 WeakPolarHBondContact O-CB 3.3Å; Q75-C79 PolarHBondContact O-N 3.31Å; Q75-C79 PolarHBondContact O-SG 2.92Å; Q75-I85 HydrophobicContact CB-CD1 4.25Å; Q75-I85 HydrophobicContact CG-CD1 3.78Å; Q75-V145 HydrophobicContact CB-CG2 4.43Å; Q75-V145 HydrophobicContact CG-CG2 3.99Å
76S96.1Very high95Very high67 Ų6747.3 Ų47.347%0.46928%0.278SS..Hα-helixtrans-55.1-51.2177.3-169.50000110.7T72 L73 C78 C79 D80T72-S76 PolarHBondContact O-N 2.88Å; L73-S76 PolarHBondContact O-N 3.24Å; S76-C78 PolarHBondContact O-N 2.88Å; S76-C79 PolarHBondContact O-N 3.46Å; S76-D80 WeakPolarHBondContact O-CB 3.25Å; S76-D80 PolarHBondContact O-N 3.24Å; S76-D80 PolarHBondContact OG-OD2 3.19Å
77F96.4Very high95.3Very high61 Ų6146.6 Ų46.627%0.26826%0.264SS..Hα-helixtrans-60.1-48.4-178-173.7-81.2000112.7L45 P49 L73 L74 Q75 D80 S81L45-F77 HydrophobicContact CB-CD1 3.99Å; L45-F77 HydrophobicContact CB-CE1 3.64Å; L45-F77 HydrophobicContact CB-CZ 4.09Å; L45-F77 HydrophobicContact CD1-CD1 4.08Å; L45-F77 HydrophobicContact CD1-CE1 4.49Å; L45-F77 HydrophobicContact CD2-CD1 3.91Å; L45-F77 HydrophobicContact CD2-CE1 3.68Å; L45-F77 HydrophobicContact CG-CD1 4.2Å; L45-F77 HydrophobicContact CG-CE1 4.11Å; L45-F77 VanDerWaalsContact O-CZ 3.28Å; L45-F77 WeakPolarHBondContact O-CZ 3.32Å; P49-F77 HydrophobicContact CB-CE1 3.81Å; P49-F77 HydrophobicContact CB-CZ 3.91Å; P49-F77 HydrophobicContact CG-CZ 4.34Å; L73-F77 PolarHBondContact O-N 3.36Å; L74-F77 PolarHBondContact O-N 2.96Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.29Å; F77-D80 PolarHBondContact O-N 3.06Å; F77-S81 WeakPolarHBondContact CE1-OG 3.36Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.48Å; F77-S81 PolarHBondContact O-N 3.09Å; F77-S81 PolarHBondContact O-OG 2.91Å
78C96.8Very high95.5Very high0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-66.8-40.3-177.8-66.40000111.7L74 Q75 S76 S81 G82 I83 I85L74-C78 WeakPolarHBondContact O-CB 3.11Å; L74-C78 PolarHBondContact O-N 3.45Å; L74-C78 PolarHBondContact O-SG 3.31Å; Q75-C78 PolarHBondContact O-N 2.88Å; S76-C78 PolarHBondContact O-N 2.88Å; C78-S81 PolarHBondContact O-N 3.31Å; C78-G82 PolarHBondContact O-N 2.82Å; C78-G82 VanDerWaalsContact O-N 3.09Å; C78-I83 HydrophobicContact CB-CB 4.06Å; C78-I83 HydrophobicContact CB-CG2 4.39Å; C78-I83 PolarHBondContact O-N 3.17Å; C78-I85 HydrophobicContact CB-CB 4.06Å; C78-I85 HydrophobicContact CB-CD1 3.86Å; C78-I85 HydrophobicContact CB-CG1 4.48Å; C78-I85 HydrophobicContact CB-CG2 4.33Å
79C94.1Very high95.6Very high40 Ų4045.3 Ų45.327%0.2726%0.26SS..Hα-helixtrans-62.7-47176.2-73.50000111.5Q75 S76 S81 G82Q75-C79 VanDerWaalsContact O-CB 3.27Å; Q75-C79 WeakPolarHBondContact O-CB 3.3Å; Q75-C79 PolarHBondContact O-N 3.31Å; Q75-C79 PolarHBondContact O-SG 2.92Å; S76-C79 PolarHBondContact O-N 3.46Å; C79-S81 VanDerWaalsContact C-N 3.27Å; C79-S81 PolarHBondContact O-N 2.81Å; C79-G82 PolarHBondContact O-N 3.34Å
80D94.1Very high95.4Very high133 Ų13341.3 Ų41.371%0.71124%0.243SC*.Hα-helixtrans-64.6-33.7179.3-67.6-24.1000111.9S76 F77 G82S76-D80 WeakPolarHBondContact O-CB 3.25Å; S76-D80 PolarHBondContact O-N 3.24Å; S76-D80 PolarHBondContact OG-OD2 3.19Å; F77-D80 PolarHBondContact O-N 3.06Å; D80-G82 VanDerWaalsContact C-N 3.33Å
81S92.6Very high95.2Very high58 Ų5837.9 Ų37.941%0.40623%0.228SC..THydrogen-bonded Turntrans-84.9-2.7179-52.60000113.7F77 C78 C79 I83F77-S81 WeakPolarHBondContact CE1-OG 3.36Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.48Å; F77-S81 PolarHBondContact O-N 3.09Å; F77-S81 PolarHBondContact O-OG 2.91Å; C78-S81 PolarHBondContact O-N 3.31Å; C79-S81 VanDerWaalsContact C-N 3.27Å; C79-S81 PolarHBondContact O-N 2.81Å; S81-I83 PolarHBondContact O-N 3.18Å
82G92.6Very high94.9Very high51 Ų5143 Ų4353%0.52625%0.252SS..THydrogen-bonded Turntrans7112.5-177.900000115C78 C79 D80C78-G82 PolarHBondContact O-N 2.82Å; C78-G82 VanDerWaalsContact O-N 3.09Å; C79-G82 PolarHBondContact O-N 3.34Å; D80-G82 VanDerWaalsContact C-N 3.33Å
83I95.5Very high94.6Very high10 Ų1040.1 Ų40.15%0.05123%0.232CC..  trans-69.3137.9177.1-63.3168.6000108.6L45 V52 C55 C78 S81 I85 R139L45-I83 HydrophobicContact CD2-CD1 3.59Å; V52-I83 HydrophobicContact CB-CD1 4.2Å; V52-I83 HydrophobicContact CG1-CD1 4.27Å; V52-I83 HydrophobicContact CG1-CG2 3.94Å; C55-I83 HydrophobicContact CB-CG2 4.29Å; C78-I83 HydrophobicContact CB-CB 4.06Å; C78-I83 HydrophobicContact CB-CG2 4.39Å; C78-I83 PolarHBondContact O-N 3.17Å; S81-I83 PolarHBondContact O-N 3.18Å; I83-I85 PolarHBondContact O-N 3.21Å; I83-R139 PolarHBondContact O-NH2 2.96Å
84N95.8Very high94.4Very high40 Ų4034.9 Ų34.921%0.21420%0.204CC..EExtended strand (participates in β ladder)trans-65.7128.5172.4-69-45.7000109.1L54 C55 C135 R139L54-N84 CarbonylContact C-O 3.45Å; L54-N84 VanDerWaalsContact CA-O 3.32Å; L54-N84 WeakPolarHBondContact CA-O 3.47Å; L54-N84 HydrophobicContact CD1-CB 3.83Å; C55-N84 PolarHBondContact N-O 2.93Å; N84-C135 HydrophobicContact CB-CB 4.37Å; N84-R139 PolarHBondContact OD1-NH1 3.08Å
85I97.6Very high94Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-134.3141.1-179.4-174171.9000109.8C55 L57 Q75 C78 I83 V145 P146C55-I85 HydrophobicContact CB-CB 4.22Å; C55-I85 HydrophobicContact CB-CD1 4.37Å; C55-I85 HydrophobicContact CB-CG1 4.01Å; C55-I85 VanDerWaalsContact O-CA 3.27Å; C55-I85 WeakPolarHBondContact O-CA 3.29Å; L57-I85 HydrophobicContact CD1-CD1 3.91Å; L57-I85 HydrophobicContact CG-CD1 4.27Å; Q75-I85 HydrophobicContact CB-CD1 4.25Å; Q75-I85 HydrophobicContact CG-CD1 3.78Å; C78-I85 HydrophobicContact CB-CB 4.06Å; C78-I85 HydrophobicContact CB-CD1 3.86Å; C78-I85 HydrophobicContact CB-CG1 4.48Å; C78-I85 HydrophobicContact CB-CG2 4.33Å; I83-I85 PolarHBondContact O-N 3.21Å; I85-V145 HydrophobicContact CG1-CG1 4.24Å; I85-V145 HydrophobicContact CG2-CG2 4.06Å; I85-P146 WeakPolarHBondContact O-CD 3.49Å
86L97.5Very high93.6Very high0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-145.6158.7173.564.188.5000110.7L21 L54 C55 V56 L57 V88 V131 P146 L148L21-L86 HydrophobicContact CD1-CD2 4.45Å; L21-L86 HydrophobicContact CD2-CD1 3.76Å; L21-L86 HydrophobicContact CD2-CD2 4.37Å; L54-L86 HydrophobicContact CD1-CD2 4.16Å; C55-L86 PolarHBondContact O-N 2.88Å; C55-L86 VanDerWaalsContact O-N 3.08Å; V56-L86 HydrophobicContact CG1-CD1 3.97Å; V56-L86 HydrophobicContact CG2-CD1 4.35Å; V56-L86 HydrophobicContact CG2-CG 4.48Å; L57-L86 PolarHBondContact N-O 2.77Å; L86-V88 HydrophobicContact CD1-CG1 3.37Å; L86-V131 HydrophobicContact CD2-CG1 3.47Å; L86-V131 VanDerWaalsContact CD2-CG1 3.47Å; L86-P146 CarbonylContact C-O 3.56Å; L86-P146 WeakPolarHBondContact CA-O 3.38Å; L86-P146 HydrophobicContact CB-CG 4.03Å; L86-P146 WeakPolarHBondContact CB-O 3.33Å; L86-L148 HydrophobicContact CD2-CD1 4.36Å
87R96.7Very high93.3Very high41 Ų4138.8 Ų38.816%0.15521%0.213CC..EExtended strand (participates in β ladder)trans-99.8147.4170.4-87179.8165.3-126.413.7110.7L57 E62 V145 P146 E147 L148L57-R87 HydrophobicContact CB-CG 4.07Å; L57-R87 CarbonylContact O-C 3.58Å; L57-R87 VanDerWaalsContact O-CA 3.25Å; L57-R87 WeakPolarHBondContact O-CA 3.42Å; E62-R87 IonicContact OE1-CZ 2.93Å; E62-R87 IonicContact OE1-NH1 3.21Å; E62-R87 PolarHBondContact OE1-NH1 3.45Å; R87-V145 HydrophobicContact CB-CG1 4.41Å; R87-V145 HydrophobicContact CG-CG1 3.96Å; R87-P146 PolarHBondContact N-O 2.98Å; R87-E147 HydrophobicContact CB-CB 4.48Å; R87-E147 HydrophobicContact CB-CG 4.28Å; R87-E147 CarbonylContact O-C 3.56Å; R87-E147 VanDerWaalsContact O-CA 3.3Å; R87-E147 WeakPolarHBondContact O-CA 3.48Å; R87-L148 PolarHBondContact O-N 2.87Å
88V95.9Very high92.9Very high3 Ų336.5 Ų36.52%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-131.7143.1170.5-58.80000112.6L21 V56 L57 A58 A59 L86 L94 L148 L150L21-V88 HydrophobicContact CD2-CG1 3.61Å; V56-V88 HydrophobicContact CG1-CG1 3.94Å; V56-V88 HydrophobicContact CG1-CG2 3.74Å; L57-V88 PolarHBondContact O-N 3.26Å; A58-V88 VanDerWaalsContact CA-O 3.31Å; A58-V88 WeakPolarHBondContact CA-O 3.37Å; A58-V88 HydrophobicContact CB-CG2 3.45Å; A58-V88 VanDerWaalsContact CB-CG2 3.45Å; A59-V88 PolarHBondContact N-O 3.39Å; L86-V88 HydrophobicContact CD1-CG1 3.37Å; V88-L94 HydrophobicContact CG2-CD1 3.82Å; V88-L148 WeakPolarHBondContact CA-O 3.31Å; V88-L148 WeakPolarHBondContact CB-O 3.41Å; V88-L148 HydrophobicContact CG1-CB 4.2Å; V88-L150 HydrophobicContact CB-CD1 4.37Å; V88-L150 HydrophobicContact CB-CG 4.43Å; V88-L150 HydrophobicContact CG2-CD1 4.47Å
89S93.8Very high91.9Very high18 Ų1838.5 Ų38.513%0.12622%0.224CC..EExtended strand (participates in β ladder)trans-106.9170.3160.548.10000109.5D60 L148 V149 L150D60-S89 WeakPolarHBondContact OD1-CA 3.38Å; D60-S89 WeakPolarHBondContact OD1-CB 3.43Å; S89-L148 PolarHBondContact N-O 2.97Å; S89-L148 VanDerWaalsContact N-O 3.16Å; S89-V149 WeakPolarHBondContact OG-CA 3.39Å; S89-V149 WeakPolarHBondContact OG-CG2 3.49Å; S89-L150 WeakPolarHBondContact O-CB 3.37Å; S89-L150 PolarHBondContact O-N 3.46Å
90G91.6Very high90.1Very high15 Ų1539.1 Ų39.116%0.15524%0.237CC..  trans8250.2-167.200000112D60 Q92 R93 L94D60-G90 PolarHBondContact OD1-N 3.25Å; G90-Q92 PolarHBondContact O-N 3.41Å; G90-R93 WeakPolarHBondContact O-CA 3.34Å; G90-R93 VanDerWaalsContact O-CB 3.29Å; G90-R93 WeakPolarHBondContact O-CB 3.35Å; G90-R93 PolarHBondContact O-N 3.32Å; G90-L94 PolarHBondContact O-N 3.16Å
91V90.4Very high87.7Confident15 Ų1539.8 Ų39.89%0.09125%0.245CC..Hα-helixtrans-58.8-35.1179.2-178.60000110.8A58 D60 R93 L94 W95 L113A58-V91 HydrophobicContact CB-CG2 4.15Å; D60-V91 HydrophobicContact CB-CG2 4.4Å; D60-V91 WeakPolarHBondContact OD2-CB 3.41Å; D60-V91 WeakPolarHBondContact OD2-CG2 3.27Å; D60-V91 PolarHBondContact OD2-N 3.02Å; V91-R93 PolarHBondContact O-N 2.84Å; V91-L94 WeakPolarHBondContact O-CB 3.38Å; V91-L94 PolarHBondContact O-N 3.16Å; V91-L94 VanDerWaalsContact O-N 3.1Å; V91-W95 VanDerWaalsContact O-CD1 3.29Å; V91-W95 PolarHBondContact O-N 2.65Å; V91-L113 HydrophobicContact CG1-CB 4.5Å
92Q88.5Confident85.4Confident109 Ų10942.2 Ų42.251%0.50925%0.254SS..Hα-helixtrans-57.7-36173.3-172.967-1.700113.1G90 W95 Q96G90-Q92 PolarHBondContact O-N 3.41Å; Q92-W95 WeakPolarHBondContact O-CB 3.2Å; Q92-W95 PolarHBondContact O-N 2.64Å; Q92-Q96 WeakPolarHBondContact O-CG 3.31Å; Q92-Q96 PolarHBondContact O-N 3.32Å
93R91.3Very high83.2Confident23 Ų2344.8 Ų44.89%0.08727%0.27CS..Hα-helixtrans-69.8-38.7176.2177.158176.7169.86.1111.1E22 G90 V91 W95 Q96 L97 L150 Q151E22-R93 IonicContact OE1-CZ 3.66Å; E22-R93 IonicContact OE1-NE 3.65Å; E22-R93 PolarHBondContact OE1-NE 2.93Å; E22-R93 IonicContact OE1-NH2 2.8Å; E22-R93 IonicContact OE2-CZ 3.39Å; E22-R93 IonicContact OE2-NE 3.54Å; E22-R93 IonicContact OE2-NH2 3.69Å; E22-R93 PolarHBondContact OE2-NH2 2.89Å; G90-R93 WeakPolarHBondContact O-CA 3.34Å; G90-R93 VanDerWaalsContact O-CB 3.29Å; G90-R93 WeakPolarHBondContact O-CB 3.35Å; G90-R93 PolarHBondContact O-N 3.32Å; V91-R93 PolarHBondContact O-N 2.84Å; R93-W95 VanDerWaalsContact C-N 3.3Å; R93-W95 PolarHBondContact O-N 2.86Å; R93-Q96 PolarHBondContact O-N 3.29Å; R93-L97 HydrophobicContact CG-CD1 4.16Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.25Å; R93-L97 PolarHBondContact O-N 3.33Å; R93-L150 HydrophobicContact CB-CB 3.89Å; R93-L150 HydrophobicContact CG-CB 3.78Å; R93-Q151 WeakPolarHBondContact CD-O 3.25Å; R93-Q151 PolarHBondContact NE-O 3.39Å
94L91.4Very high80.7Confident0 Ų051.1 Ų51.10%030%0.304CS..Hα-helixtrans-60.9-41.2173-67.9170.7000111.8L25 A58 V88 G90 V91 Q96 L97 L98 L113 M116 L150L25-L94 HydrophobicContact CD1-CD2 3.7Å; A58-L94 HydrophobicContact CB-CD1 3.38Å; V88-L94 HydrophobicContact CG2-CD1 3.82Å; G90-L94 PolarHBondContact O-N 3.16Å; V91-L94 WeakPolarHBondContact O-CB 3.38Å; V91-L94 PolarHBondContact O-N 3.16Å; V91-L94 VanDerWaalsContact O-N 3.1Å; L94-Q96 VanDerWaalsContact C-N 3.31Å; L94-Q96 PolarHBondContact O-N 3.06Å; L94-L97 PolarHBondContact O-N 2.77Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-L98 WeakPolarHBondContact O-CB 3.38Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-L113 HydrophobicContact CB-CD1 3.93Å; L94-M116 HydrophobicContact CD1-CE 3.56Å; L94-M116 HydrophobicContact CD1-SD 4.35Å; L94-M116 HydrophobicContact CD2-CE 4.19Å; L94-M116 HydrophobicContact CD2-SD 4.23Å; L94-M116 HydrophobicContact CG-CE 4.49Å; L94-L150 HydrophobicContact CD1-CD1 4.43Å; L94-L150 HydrophobicContact CD2-CD1 3.43Å; L94-L150 VanDerWaalsContact CD2-CD1 3.43Å; L94-L150 HydrophobicContact CG-CD1 3.65Å
95W88.4Confident78.2Confident72 Ų7254.6 Ų54.627%0.27332%0.322SS..Hα-helixtrans-56.2-45173.5-84.9110.5000112.4V91 Q92 R93 L97 G99 S110 G111 L113V91-W95 VanDerWaalsContact O-CD1 3.29Å; V91-W95 PolarHBondContact O-N 2.65Å; Q92-W95 WeakPolarHBondContact O-CB 3.2Å; Q92-W95 PolarHBondContact O-N 2.64Å; R93-W95 VanDerWaalsContact C-N 3.3Å; R93-W95 PolarHBondContact O-N 2.86Å; W95-L97 VanDerWaalsContact C-N 3.33Å; W95-L97 PolarHBondContact O-N 2.67Å; W95-G99 VanDerWaalsContact O-CA 3.24Å; W95-G99 WeakPolarHBondContact O-CA 3.46Å; W95-G99 PolarHBondContact O-N 3.43Å; W95-S110 VanDerWaalsContact CH2-CA 3.45Å; W95-S110 WeakPolarHBondContact CH2-O 3.38Å; W95-S110 VanDerWaalsContact CH2-OG 3.23Å; W95-S110 WeakPolarHBondContact CH2-OG 3.43Å; W95-S110 WeakPolarHBondContact CZ3-OG 3.41Å; W95-G111 WeakPolarHBondContact CH2-O 3.3Å; W95-G111 WeakPolarHBondContact CZ2-O 3.43Å; W95-L113 HydrophobicContact CB-CD1 4.28Å; W95-L113 HydrophobicContact CD2-CD1 3.43Å; W95-L113 VanDerWaalsContact CD2-CD1 3.43Å; W95-L113 HydrophobicContact CD2-CG 4.18Å; W95-L113 HydrophobicContact CE3-CD1 3.86Å; W95-L113 HydrophobicContact CG-CD1 3.65Å; W95-L113 HydrophobicContact CH2-CD1 4.15Å; W95-L113 HydrophobicContact CH2-CG 3.92Å; W95-L113 HydrophobicContact CZ2-CD1 3.92Å; W95-L113 HydrophobicContact CZ2-CG 3.69Å; W95-L113 HydrophobicContact CZ3-CD1 4.18Å; W95-L113 HydrophobicContact CZ3-CG 4.37Å
96Q89.1Confident75.4Confident93 Ų9359.5 Ų59.544%0.43535%0.349SS..Hα-helixtrans-65.8-35.2176.9-66.7168.44.100112.7Q92 R93 L94 E152Q92-Q96 WeakPolarHBondContact O-CG 3.31Å; Q92-Q96 PolarHBondContact O-N 3.32Å; R93-Q96 PolarHBondContact O-N 3.29Å; L94-Q96 VanDerWaalsContact C-N 3.31Å; L94-Q96 PolarHBondContact O-N 3.06Å; Q96-E152 PolarHBondContact NE2-OE1 3.42Å
97L89.8Confident72.9Confident33 Ų3368.4 Ų68.417%0.17339%0.39CS..Hα-helixtrans-75.3-43.4-178.5-71.3169.6000112.6E22 V26 R93 L94 W95E22-L97 HydrophobicContact CB-CD1 3.87Å; E22-L97 HydrophobicContact CB-CD2 4.39Å; E22-L97 HydrophobicContact CG-CD1 3.59Å; V26-L97 HydrophobicContact CG2-CB 4.19Å; V26-L97 HydrophobicContact CG2-CD2 4.2Å; R93-L97 HydrophobicContact CG-CD1 4.16Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.25Å; R93-L97 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 2.77Å; L94-L97 VanDerWaalsContact O-N 3.14Å; W95-L97 VanDerWaalsContact C-N 3.33Å; W95-L97 PolarHBondContact O-N 2.67Å
98L87.7Confident70.2Confident12 Ų1275.6 Ų75.66%0.06343%0.425CS..Hα-helixtrans-102.8-21.1-170.4-62.3178.8000113.4L25 Q29 L34 L94 G100 L113 M116L25-L98 HydrophobicContact CB-CD2 4.18Å; Q29-L98 HydrophobicContact CB-CD2 4.1Å; Q29-L98 PolarHBondContact NE2-O 2.89Å; Q29-L98 PolarHBondContact OE1-O 2.87Å; L34-L98 HydrophobicContact CD2-CD1 4.16Å; L34-L98 HydrophobicContact CD2-CD2 3.96Å; L94-L98 WeakPolarHBondContact O-CB 3.38Å; L94-L98 PolarHBondContact O-N 2.94Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.28Å; L98-L113 HydrophobicContact CD1-CD2 4.39Å; L98-M116 HydrophobicContact CD1-SD 3.57Å; L98-M116 VanDerWaalsContact CD1-SD 3.57Å
99G75Confident67.7Low42 Ų4281.7 Ų81.743%0.43345%0.454SS..SBendtrans-90.427.8-175.700000115.2W95 V101W95-G99 VanDerWaalsContact O-CA 3.24Å; W95-G99 WeakPolarHBondContact O-CA 3.46Å; W95-G99 PolarHBondContact O-N 3.43Å; G99-V101 PolarHBondContact O-N 2.91Å
100G57.4Low65.5Low53 Ų5383.5 Ų83.555%0.54647%0.467SS..THydrogen-bonded Turntrans-44.7119.6-166.700000116.4L98 D102L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.28Å; G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 2.9Å
101V43.5Very low63.9Low147 Ų14784.9 Ų84.989%0.89148%0.48SS*.THydrogen-bonded Turntrans5118.4153.9-152.10000118.5G99G99-V101 PolarHBondContact O-N 2.91Å
102D44.5Very low63.4Low109 Ų10987 Ų8758%0.58349%0.491SS*.  trans-119.369.7166-103.3-42.6000110.6G100 N104 L105G100-D102 VanDerWaalsContact C-N 3.27Å; G100-D102 PolarHBondContact O-N 2.9Å; D102-N104 PolarHBondContact O-N 3.06Å; D102-L105 PolarHBondContact O-N 3.09Å
103A45.4Very low63.5Low106 Ų10682.3 Ų82.388%0.87647%0.47SS*.THydrogen-bonded Turntrans-65.420.7167.100000113.5
104N43.1Very low63.6Low142 Ų14284.1 Ų84.176%0.75948%0.479SS*.THydrogen-bonded Turntrans-113.6-4.3175.6-83.8-54.3000113.4D102D102-N104 PolarHBondContact O-N 3.06Å
105L42.7Very low63.9Low113 Ų11384.1 Ų84.159%0.59248%0.479SS*.SBendtrans-83.3125.5161.7-65.2170.8000106.7D102 Q107D102-L105 PolarHBondContact O-N 3.09Å; L105-Q107 PolarHBondContact O-N 3.49Å
106N40.5Very low64.3Low104 Ų10480.7 Ų80.756%0.55647%0.466SS*.  trans-48.6140.7-176.5-58-65.5000109.7E108 E109 S110N106-E108 PolarHBondContact O-N 3.39Å; N106-E109 PolarHBondContact O-N 2.99Å; N106-S110 PolarHBondContact O-N 3.4Å
107Q43.8Very low64.6Low187 Ų18776.3 Ų76.387%0.87445%0.445SS*.THydrogen-bonded Turntrans-55.8-12.4176.4-84.1165.636.900113.6L105L105-Q107 PolarHBondContact O-N 3.49Å
108E41.2Very low64.9Low191 Ų19174.7 Ų74.789%0.89344%0.437SS*.THydrogen-bonded Turntrans-81.7-14.9171.9-71.8175.6108.200114.3N106N106-E108 PolarHBondContact O-N 3.39Å
109E42.3Very low65.2Low131 Ų13175.4 Ų75.461%0.61244%0.442SS*.THydrogen-bonded Turntrans-104.70.7171.5-74.6-179.5103.800112.5N106 G111N106-E109 PolarHBondContact O-N 2.99Å; E109-G111 PolarHBondContact O-N 3.45Å
110S47.2Very low65.4Low57 Ų5777.2 Ų77.240%0.39944%0.442SS..SBendtrans-66.990.2164.6-115.20000107.1W95 N106W95-S110 VanDerWaalsContact CH2-CA 3.45Å; W95-S110 WeakPolarHBondContact CH2-O 3.38Å; W95-S110 VanDerWaalsContact CH2-OG 3.23Å; W95-S110 WeakPolarHBondContact CH2-OG 3.43Å; W95-S110 WeakPolarHBondContact CZ3-OG 3.41Å; N106-S110 PolarHBondContact O-N 3.4Å
111G59.1Low65.9Low43 Ų4374.7 Ų74.744%0.44342%0.416SS..  trans-51.6148.4-174.600000116.1W95 E109 L113W95-G111 WeakPolarHBondContact CH2-O 3.3Å; W95-G111 WeakPolarHBondContact CZ2-O 3.43Å; E109-G111 PolarHBondContact O-N 3.45Å; G111-L113 PolarHBondContact O-N 2.96Å
112D80Confident66.9Low59 Ų5974.8 Ų74.832%0.31641%0.406SS..  trans-44.6101.1169.9173.210000112.2V36 G37 I38 H114V36-D112 WeakPolarHBondContact CG1-O 3.06Å; G37-D112 WeakPolarHBondContact CA-O 3.29Å; G37-D112 PolarHBondContact N-O 3.4Å; G37-D112 VanDerWaalsContact N-O 3.11Å; I38-D112 WeakPolarHBondContact CB-OD2 3.5Å; I38-D112 VanDerWaalsContact CG1-OD2 3.25Å; I38-D112 WeakPolarHBondContact CG1-OD2 3.33Å; I38-D112 PolarHBondContact N-OD2 3.39Å; D112-H114 PolarHBondContact O-N 2.94Å; D112-H114 WeakPolarHBondContact OD1-CA 3.45Å; D112-H114 WeakPolarHBondContact OD1-CB 3.13Å; D112-H114 IonicContact OD1-CD2 2.74Å; D112-H114 PolarHBondContact OD1-CD2 3.45Å; D112-H114 IonicContact OD1-CG 3.81Å; D112-H114 PolarHBondContact OD1-N 3.39Å
113L90.8Very high67.5Low11 Ų1174.7 Ų74.76%0.05841%0.41CS..THydrogen-bonded Turntrans-84.911.6174.3-65.5-170.4000112.4V36 A58 V91 L94 W95 L98 G111 C115V36-L113 HydrophobicContact CG1-CD2 3.39Å; A58-L113 WeakPolarHBondContact CB-O 3.39Å; V91-L113 HydrophobicContact CG1-CB 4.5Å; L94-L113 HydrophobicContact CB-CD1 3.93Å; W95-L113 HydrophobicContact CB-CD1 4.28Å; W95-L113 HydrophobicContact CD2-CD1 3.43Å; W95-L113 VanDerWaalsContact CD2-CD1 3.43Å; W95-L113 HydrophobicContact CD2-CG 4.18Å; W95-L113 HydrophobicContact CE3-CD1 3.86Å; W95-L113 HydrophobicContact CG-CD1 3.65Å; W95-L113 HydrophobicContact CH2-CD1 4.15Å; W95-L113 HydrophobicContact CH2-CG 3.92Å; W95-L113 HydrophobicContact CZ2-CD1 3.92Å; W95-L113 HydrophobicContact CZ2-CG 3.69Å; W95-L113 HydrophobicContact CZ3-CD1 4.18Å; W95-L113 HydrophobicContact CZ3-CG 4.37Å; L98-L113 HydrophobicContact CD1-CD2 4.39Å; G111-L113 PolarHBondContact O-N 2.96Å; L113-C115 VanDerWaalsContact C-N 3.29Å; L113-C115 PolarHBondContact O-N 3.44Å
114H93.7Very high68.6Low62 Ų6271 Ų7129%0.28738%0.375SS..THydrogen-bonded Turntrans-75.2-18.1-175.2-59.7-61.2000113.6I38 L57 A58 L67 F71 D112I38-H114 HydrophobicContact CD1-CB 4.19Å; I38-H114 HydrophobicContact CG1-CB 4.09Å; L57-H114 CarbonylContact C-O 3.56Å; L57-H114 WeakPolarHBondContact CA-O 3.17Å; A58-H114 PolarHBondContact N-O 3.05Å; A58-H114 WeakPolarHBondContact O-CA 3.41Å; A58-H114 PolarHBondContact O-ND1 3.41Å; L67-H114 HydrophobicContact CD1-CB 3.72Å; L67-H114 HydrophobicContact CD2-CB 4.42Å; F71-H114 HydrophobicContact CE1-CB 3.86Å; F71-H114 WeakPolarHBondContact CE1-O 3.5Å; F71-H114 HydrophobicContact CZ-CB 3.95Å; F71-H114 WeakPolarHBondContact CZ-O 3.48Å; D112-H114 PolarHBondContact O-N 2.94Å; D112-H114 WeakPolarHBondContact OD1-CA 3.45Å; D112-H114 WeakPolarHBondContact OD1-CB 3.13Å; D112-H114 IonicContact OD1-CD2 2.74Å; D112-H114 PolarHBondContact OD1-CD2 3.45Å; D112-H114 IonicContact OD1-CG 3.81Å; D112-H114 PolarHBondContact OD1-N 3.39Å
115C96.3Very high70.3Confident0 Ų068.9 Ų68.90%036%0.36CS..EExtended strand (participates in β ladder)trans-138.6135.1169.3-171.90000111.3V36 G37 I38 S41 V56 L57 L74 L113V36-C115 CarbonylContact C-O 3.49Å; V36-C115 WeakPolarHBondContact CA-O 3.13Å; G37-C115 PolarHBondContact N-O 3.4Å; I38-C115 HydrophobicContact CD1-CB 3.6Å; I38-C115 HydrophobicContact CG1-CB 4.28Å; S41-C115 WeakPolarHBondContact CB-SG 3.35Å; S41-C115 PolarHBondContact OG-SG 3.01Å; V56-C115 CarbonylContact O-C 3.56Å; V56-C115 WeakPolarHBondContact O-CA 3.49Å; L57-C115 HydrophobicContact CD2-CB 4.06Å; L74-C115 HydrophobicContact CD1-CB 4.17Å; L113-C115 VanDerWaalsContact C-N 3.29Å; L113-C115 PolarHBondContact O-N 3.44Å
116M96.6Very high72.4Confident0 Ų067.5 Ų67.50%036%0.359CS..EExtended strand (participates in β ladder)trans-131.8126.2173.4-61.3153.1-79.300109.6L25 L34 T35 V36 V56 A58 L94 L98L25-M116 HydrophobicContact CD1-SD 4.18Å; L25-M116 HydrophobicContact CD2-CB 4.39Å; L25-M116 HydrophobicContact CD2-SD 4.26Å; L34-M116 HydrophobicContact CD1-CB 4.12Å; T35-M116 CarbonylContact O-C 3.48Å; T35-M116 WeakPolarHBondContact O-CA 3.38Å; V36-M116 HydrophobicContact CG1-CG 4.22Å; V36-M116 HydrophobicContact CG2-CG 4.19Å; V56-M116 HydrophobicContact CB-CB 4.31Å; V56-M116 HydrophobicContact CB-CE 3.97Å; V56-M116 HydrophobicContact CG1-CE 3.58Å; V56-M116 PolarHBondContact N-O 2.96Å; V56-M116 PolarHBondContact O-N 3.49Å; A58-M116 HydrophobicContact CB-CE 4Å; L94-M116 HydrophobicContact CD1-CE 3.56Å; L94-M116 HydrophobicContact CD1-SD 4.35Å; L94-M116 HydrophobicContact CD2-CE 4.19Å; L94-M116 HydrophobicContact CD2-SD 4.23Å; L94-M116 HydrophobicContact CG-CE 4.49Å; L98-M116 HydrophobicContact CD1-SD 3.57Å; L98-M116 VanDerWaalsContact CD1-SD 3.57Å
117L96.6Very high74.9Confident0 Ų065.6 Ų65.60%034%0.344CS..EExtended strand (participates in β ladder)trans-107.2126.4173.4-56-178.4000110L34 T35 S41 L44 L45 V52 L54 C55L34-L117 WeakPolarHBondContact CA-O 3.2Å; T35-L117 PolarHBondContact N-O 3.3Å; T35-L117 PolarHBondContact O-N 3.01Å; S41-L117 WeakPolarHBondContact O-CD1 3.38Å; L44-L117 HydrophobicContact CB-CD1 4.24Å; L44-L117 HydrophobicContact CD2-CB 4.44Å; L44-L117 HydrophobicContact CD2-CD1 4.03Å; L44-L117 HydrophobicContact CG-CD1 4.37Å; L45-L117 HydrophobicContact CD1-CD1 4.06Å; L45-L117 HydrophobicContact CD1-CD2 4.41Å; L45-L117 HydrophobicContact CD2-CD1 4.17Å; L45-L117 HydrophobicContact CG-CD1 3.71Å; V52-L117 HydrophobicContact CG1-CB 4.1Å; V52-L117 HydrophobicContact CG1-CD1 4.4Å; V52-L117 HydrophobicContact CG1-CD2 4.09Å; V52-L117 HydrophobicContact CG1-CG 4.42Å; V52-L117 HydrophobicContact CG2-CD1 4.12Å; L54-L117 WeakPolarHBondContact O-CA 3.48Å; C55-L117 HydrophobicContact CB-CD2 3.56Å; C55-L117 VanDerWaalsContact SG-CD2 3.53Å
118V95.5Very high77.1Confident0 Ų057.8 Ų57.80%031%0.308CS..EExtended strand (participates in β ladder)trans-94.2123.1169.1-176.70000107.6L25 A28 C33 L34 V53 L54 L121L25-V118 HydrophobicContact CD2-CG2 4.16Å; A28-V118 HydrophobicContact CB-CG1 4.06Å; A28-V118 HydrophobicContact CB-CG2 4.3Å; C33-V118 WeakPolarHBondContact O-CA 2.92Å; L34-V118 HydrophobicContact CD1-CG2 3.84Å; V53-V118 HydrophobicContact CG2-CB 4.36Å; V53-V118 HydrophobicContact CG2-CG1 4.1Å; V53-V118 VanDerWaalsContact CG2-O 3.26Å; V53-V118 WeakPolarHBondContact CG2-O 3.33Å; V53-V118 PolarHBondContact N-O 3.36Å; L54-V118 HydrophobicContact CB-CB 4.12Å; L54-V118 HydrophobicContact CB-CG2 4.38Å; L54-V118 HydrophobicContact CD2-CG2 4.24Å; L54-V118 PolarHBondContact N-O 3.07Å; L54-V118 PolarHBondContact O-N 3.27Å; V118-L121 HydrophobicContact CG1-CD1 3.69Å; V118-L121 HydrophobicContact CG1-CD2 4.31Å; V118-L121 HydrophobicContact CG1-CG 3.77Å
119T93.4Very high79.5Confident27 Ų2755.3 Ų55.317%0.16630%0.297CS..EExtended strand (participates in β ladder)trans-92.9161.9169.456.50000110.3C33 L44 S51 V52 L121C33-T119 PolarHBondContact O-N 3.49Å; C33-T119 PolarHBondContact O-OG1 3.1Å; L44-T119 HydrophobicContact CD2-CG2 3.8Å; S51-T119 WeakPolarHBondContact O-CA 3.33Å; S51-T119 WeakPolarHBondContact O-CB 3.41Å; V52-T119 HydrophobicContact CG2-CG2 4.23Å; T119-L121 PolarHBondContact O-N 3.47Å
120N80.5Confident82Confident80 Ų8051.3 Ų51.343%0.42828%0.278SS..  trans-45.5104.6-171.9-175.111.9000113.6S51 V53 Q122S51-N120 PolarHBondContact O-N 3.16Å; S51-N120 VanDerWaalsContact O-N 3.11Å; V53-N120 HydrophobicContact CG1-CB 4.26Å; N120-Q122 PolarHBondContact O-N 3.25Å
121L68.1Low84.3Confident0 Ų048.6 Ų48.60%026%0.259CS..  trans-77.7119.4177.5-65170.2000109.2L24 A28 C33 V118 T119 V123 D124 H125L24-L121 HydrophobicContact CD1-CD1 3.24Å; L24-L121 HydrophobicContact CG-CD1 4.31Å; A28-L121 HydrophobicContact CB-CD1 4.24Å; A28-L121 HydrophobicContact CB-CD2 3.8Å; C33-L121 HydrophobicContact CB-CD2 3.35Å; C33-L121 HydrophobicContact CB-CG 4.42Å; V118-L121 HydrophobicContact CG1-CD1 3.69Å; V118-L121 HydrophobicContact CG1-CD2 4.31Å; V118-L121 HydrophobicContact CG1-CG 3.77Å; T119-L121 PolarHBondContact O-N 3.47Å; L121-V123 PolarHBondContact O-N 3.24Å; L121-V123 VanDerWaalsContact O-N 3.16Å; L121-D124 HydrophobicContact CD1-CB 4.38Å; L121-H125 PolarHBondContact O-CE1 2.92Å; L121-H125 PolarHBondContact O-ND1 3.44Å
122Q63.8Low85.9Confident149 Ų14947.1 Ų47.170%0.69624%0.243SC*.SBendtrans-68.5-11.1179.4-65.3-71.2-27.800113.5N120N120-Q122 PolarHBondContact O-N 3.25Å
123V56.5Low86.6Confident107 Ų10747 Ų4765%0.64825%0.245SC*.SBendtrans-130-31.7-162.8-162.50000114.6L121L121-V123 PolarHBondContact O-N 3.24Å; L121-V123 VanDerWaalsContact O-N 3.16Å
124D69.8Low86.8Confident28 Ų2847.4 Ų47.415%0.1525%0.246CC..  trans-110.350.6-170.9-143.5-23.9000113.1T27 L121 C126 R127 L128T27-D124 WeakPolarHBondContact CB-OD2 3.46Å; T27-D124 HydrophobicContact CG2-CB 3.86Å; T27-D124 WeakPolarHBondContact CG2-OD2 3.27Å; T27-D124 PolarHBondContact OG1-OD2 2.95Å; L121-D124 HydrophobicContact CD1-CB 4.38Å; D124-C126 VanDerWaalsContact C-N 3.26Å; D124-C126 PolarHBondContact O-N 3.46Å; D124-R127 WeakPolarHBondContact OD1-CG 3.38Å; D124-L128 PolarHBondContact O-N 3.29Å
125H78.9Confident86.9Confident98 Ų9844.5 Ų44.545%0.45423%0.232SC..Hα-helixtrans-66-25.5-176.7-69.1-53.7000113.5L121 Q129L121-H125 PolarHBondContact O-CE1 2.92Å; L121-H125 PolarHBondContact O-ND1 3.44Å; H125-Q129 WeakPolarHBondContact O-CB 3.16Å; H125-Q129 PolarHBondContact O-N 2.81Å
126C86.5Confident86.7Confident83 Ų8349.4 Ų49.456%0.56126%0.255SS*.Hα-helixtrans-70-46.1-178.660.60000112D124 Q129 E130D124-C126 VanDerWaalsContact C-N 3.26Å; D124-C126 PolarHBondContact O-N 3.46Å; C126-Q129 PolarHBondContact O-N 3Å; C126-E130 WeakPolarHBondContact O-CB 3.29Å; C126-E130 PolarHBondContact O-N 2.97Å
127R91.4Very high86.5Confident65 Ų6552.3 Ų52.325%0.24527%0.269CS..Hα-helixtrans-68.5-40.5177.7-62.3-46.4-168.2179.82.6112.1A20 E23 L24 D124 Q129 E130 V131A20-R127 HydrophobicContact CB-CB 4.38Å; E23-R127 HydrophobicContact CB-CG 4.34Å; E23-R127 IonicContact OE1-NH2 2.74Å; E23-R127 PolarHBondContact OE1-NH2 3.38Å; E23-R127 IonicContact OE2-CZ 3.1Å; E23-R127 IonicContact OE2-NE 2.73Å; E23-R127 PolarHBondContact OE2-NE 2.88Å; E23-R127 IonicContact OE2-NH2 2.85Å; E23-R127 PolarHBondContact OE2-NH2 2.82Å; L24-R127 HydrophobicContact CB-CB 4.13Å; L24-R127 HydrophobicContact CD1-CB 4.28Å; D124-R127 WeakPolarHBondContact OD1-CG 3.38Å; R127-Q129 VanDerWaalsContact C-N 3.31Å; R127-Q129 PolarHBondContact O-N 3.49Å; R127-E130 IonicContact CZ-OE2 3.95Å; R127-E130 IonicContact NH1-OE2 2.9Å; R127-E130 PolarHBondContact NH1-OE2 3.25Å; R127-E130 PolarHBondContact O-N 3.2Å; R127-V131 WeakPolarHBondContact O-CG2 3.39Å; R127-V131 PolarHBondContact O-N 3.46Å
128L91Very high86.4Confident23 Ų2352.7 Ų52.712%0.1227%0.272CS..Hα-helixtrans-60.4-42.9173.4-176.964.8000111.6L24 V53 L54 D124 E130 G132L24-L128 HydrophobicContact CD1-CB 3.96Å; L24-L128 HydrophobicContact CD1-CD1 4.47Å; L24-L128 HydrophobicContact CD2-CD1 4.05Å; V53-L128 HydrophobicContact CB-CD1 4.43Å; V53-L128 HydrophobicContact CB-CD2 4.2Å; V53-L128 HydrophobicContact CG2-CD1 3.85Å; V53-L128 HydrophobicContact CG2-CD2 3.75Å; V53-L128 HydrophobicContact CG2-CG 4.46Å; L54-L128 HydrophobicContact CB-CD1 4.17Å; D124-L128 PolarHBondContact O-N 3.29Å; L128-E130 VanDerWaalsContact C-N 3.35Å; L128-G132 PolarHBondContact O-N 3.48Å
129Q92.1Very high86.2Confident138 Ų13855.4 Ų55.465%0.64528%0.282SS*.Hα-helixtrans-64.9-39.3177.6-179.1177.4400111.9H125 C126 R127 G132 T133H125-Q129 WeakPolarHBondContact O-CB 3.16Å; H125-Q129 PolarHBondContact O-N 2.81Å; C126-Q129 PolarHBondContact O-N 3Å; R127-Q129 VanDerWaalsContact C-N 3.31Å; R127-Q129 PolarHBondContact O-N 3.49Å; Q129-G132 PolarHBondContact O-N 3.03Å; Q129-T133 VanDerWaalsContact O-CB 3.28Å; Q129-T133 WeakPolarHBondContact O-CB 3.47Å; Q129-T133 PolarHBondContact O-N 3.42Å; Q129-T133 PolarHBondContact O-OG1 2.95Å
130E93.6Very high86.1Confident48 Ų4862.7 Ų62.722%0.22431%0.306CS..Hα-helixtrans-63.4-49.2178.3-171.3172.2178.600111.7S16 A20 C126 R127 L128 T133 Y134S16-E130 WeakPolarHBondContact CB-OE1 3.34Å; S16-E130 PolarHBondContact OG-OE1 2.91Å; A20-E130 HydrophobicContact CB-CB 4Å; A20-E130 HydrophobicContact CB-CG 3.89Å; A20-E130 WeakPolarHBondContact CB-OE2 3.3Å; C126-E130 WeakPolarHBondContact O-CB 3.29Å; C126-E130 PolarHBondContact O-N 2.97Å; R127-E130 IonicContact CZ-OE2 3.95Å; R127-E130 IonicContact NH1-OE2 2.9Å; R127-E130 PolarHBondContact NH1-OE2 3.25Å; R127-E130 PolarHBondContact O-N 3.2Å; L128-E130 VanDerWaalsContact C-N 3.35Å; E130-T133 PolarHBondContact O-N 3.4Å; E130-Y134 PolarHBondContact O-N 3.37Å
131V95.1Very high86.6Confident0 Ų065.3 Ų65.30%032%0.32CS..Hα-helixtrans-63.4-43174.3178.60000111.1A20 L21 L24 L54 L86 R127 T133 Y134 C135A20-V131 HydrophobicContact CB-CG2 3.92Å; L21-V131 HydrophobicContact CB-CG2 4.07Å; L21-V131 HydrophobicContact CD1-CG1 4.42Å; L21-V131 HydrophobicContact CD1-CG2 4.47Å; L24-V131 HydrophobicContact CD2-CG2 4.23Å; L54-V131 HydrophobicContact CD1-CG1 3.9Å; L54-V131 HydrophobicContact CD2-CG1 3.94Å; L86-V131 HydrophobicContact CD2-CG1 3.47Å; L86-V131 VanDerWaalsContact CD2-CG1 3.47Å; R127-V131 WeakPolarHBondContact O-CG2 3.39Å; R127-V131 PolarHBondContact O-N 3.46Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 PolarHBondContact O-N 2.97Å; V131-Y134 WeakPolarHBondContact O-CB 3.47Å; V131-Y134 PolarHBondContact O-N 3.28Å; V131-C135 PolarHBondContact O-N 3Å; V131-C135 PolarHBondContact O-SG 2.74Å; V131-C135 VanDerWaalsContact O-SG 3.39Å
132G93.9Very high87.6Confident11 Ų1171.7 Ų71.711%0.11335%0.354CS..Hα-helixtrans-62.4-37.6177.100000113L128 Q129 C135 Q136L128-G132 PolarHBondContact O-N 3.48Å; Q129-G132 PolarHBondContact O-N 3.03Å; G132-C135 PolarHBondContact O-N 3.2Å; G132-Q136 WeakPolarHBondContact O-CB 3.4Å; G132-Q136 PolarHBondContact O-N 3.43Å
133T94.2Very high89Confident57 Ų5768.5 Ų68.535%0.3534%0.339SS..Hα-helixtrans-65.9-45175.7-59.80000110Q129 E130 V131 C135 Q136 E137Q129-T133 VanDerWaalsContact O-CB 3.28Å; Q129-T133 WeakPolarHBondContact O-CB 3.47Å; Q129-T133 PolarHBondContact O-N 3.42Å; Q129-T133 PolarHBondContact O-OG1 2.95Å; E130-T133 PolarHBondContact O-N 3.4Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 PolarHBondContact O-N 2.97Å; T133-C135 PolarHBondContact O-N 3.17Å; T133-Q136 PolarHBondContact O-N 3.3Å; T133-Q136 VanDerWaalsContact O-N 3.16Å; T133-E137 HydrophobicContact CG2-CG 4.33Å; T133-E137 WeakPolarHBondContact O-CG 3.32Å; T133-E137 PolarHBondContact O-N 3.3Å
134Y95.4Very high90.6Very high20 Ų2070.9 Ų70.98%0.07834%0.336CS..Hα-helixtrans-55.5-48.9173.4173.4-102.3000111.8A17 E130 V131 Q136 E137 S138 P146 E147 L148A17-Y134 HydrophobicContact CB-CD1 4.09Å; A17-Y134 HydrophobicContact CB-CD2 3.93Å; A17-Y134 HydrophobicContact CB-CG 3.66Å; E130-Y134 PolarHBondContact O-N 3.37Å; V131-Y134 WeakPolarHBondContact O-CB 3.47Å; V131-Y134 PolarHBondContact O-N 3.28Å; Y134-Q136 VanDerWaalsContact C-N 3.32Å; Y134-Q136 PolarHBondContact O-N 3.02Å; Y134-E137 PolarHBondContact O-N 3.07Å; Y134-S138 PolarHBondContact O-N 2.99Å; Y134-S138 PolarHBondContact O-OG 2.79Å; Y134-P146 HydrophobicContact CD1-CB 4.46Å; Y134-P146 HydrophobicContact CD1-CG 4.24Å; Y134-P146 HydrophobicContact CE1-CB 3.57Å; Y134-P146 HydrophobicContact CE1-CG 3.76Å; Y134-E147 PolarHBondContact OH-O 2.9Å; Y134-L148 HydrophobicContact CD1-CD1 4.39Å; Y134-L148 HydrophobicContact CD1-CD2 4.39Å; Y134-L148 HydrophobicContact CE1-CD1 4.11Å; Y134-L148 HydrophobicContact CE1-CD2 3.58Å; Y134-L148 HydrophobicContact CE1-CG 3.8Å; Y134-L148 HydrophobicContact CE2-CD2 4.15Å; Y134-L148 VanDerWaalsContact CZ-CD2 3.45Å; Y134-L148 WeakPolarHBondContact OH-CD2 3.44Å
135C95.1Very high91.8Very high0 Ų071 Ų710%034%0.338CS..Hα-helixtrans-59.8-41.3175.8-64.80000112.7N84 V131 G132 T133 R139N84-C135 HydrophobicContact CB-CB 4.37Å; V131-C135 PolarHBondContact O-N 3Å; V131-C135 PolarHBondContact O-SG 2.74Å; V131-C135 VanDerWaalsContact O-SG 3.39Å; G132-C135 PolarHBondContact O-N 3.2Å; T133-C135 PolarHBondContact O-N 3.17Å; C135-R139 VanDerWaalsContact O-CG 3.3Å; C135-R139 WeakPolarHBondContact O-CG 3.26Å; C135-R139 PolarHBondContact O-N 2.8Å
136Q93.2Very high92.6Very high103 Ų10366.3 Ų66.348%0.48132%0.316SS..Hα-helixtrans-68.1-39.9179.2-169.9176.131.200112.5G132 T133 Y134 R139 R140G132-Q136 WeakPolarHBondContact O-CB 3.4Å; G132-Q136 PolarHBondContact O-N 3.43Å; T133-Q136 PolarHBondContact O-N 3.3Å; T133-Q136 VanDerWaalsContact O-N 3.16Å; Y134-Q136 VanDerWaalsContact C-N 3.32Å; Y134-Q136 PolarHBondContact O-N 3.02Å; Q136-R139 PolarHBondContact O-N 3Å; Q136-R140 WeakPolarHBondContact O-CG 3.25Å; Q136-R140 PolarHBondContact O-N 3.35Å
137E92.9Very high92.9Very high62 Ų6267.3 Ų67.329%0.2931%0.313SS..Hα-helixtrans-64.7-44.3175.4-70.4-162123.500111.2R13 T133 Y134 R139 R140 L141R13-E137 VanDerWaalsContact CD-OE2 3.25Å; R13-E137 WeakPolarHBondContact CD-OE2 3.44Å; R13-E137 IonicContact CZ-OE2 3.86Å; R13-E137 IonicContact NE-OE2 3.95Å; R13-E137 VanDerWaalsContact NH1-CD 3.28Å; R13-E137 IonicContact NH1-OE1 3Å; R13-E137 PolarHBondContact NH1-OE1 2.77Å; R13-E137 IonicContact NH1-OE2 2.94Å; R13-E137 PolarHBondContact NH1-OE2 2.95Å; T133-E137 HydrophobicContact CG2-CG 4.33Å; T133-E137 WeakPolarHBondContact O-CG 3.32Å; T133-E137 PolarHBondContact O-N 3.3Å; Y134-E137 PolarHBondContact O-N 3.07Å; E137-R139 VanDerWaalsContact C-N 3.35Å; E137-R139 PolarHBondContact O-N 3.2Å; E137-R140 WeakPolarHBondContact O-CB 3.49Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-R140 VanDerWaalsContact O-N 3.12Å; E137-L141 PolarHBondContact O-N 3.49Å
138S93.3Very high93.1Very high8 Ų864.2 Ų64.26%0.05630%0.301CS..Hα-helixtrans-60.7-40.7175.7-70.50000112.9Y134 R140 L141 D142 Q143 P146Y134-S138 PolarHBondContact O-N 2.99Å; Y134-S138 PolarHBondContact O-OG 2.79Å; S138-R140 VanDerWaalsContact C-N 3.25Å; S138-R140 PolarHBondContact O-N 2.93Å; S138-L141 CarbonylContact O-C 3.43Å; S138-L141 WeakPolarHBondContact O-CA 3.44Å; S138-L141 WeakPolarHBondContact O-CB 3.23Å; S138-L141 PolarHBondContact O-N 3.3Å; S138-D142 PolarHBondContact O-N 3.12Å; S138-Q143 CarbonylContact C-O 3.27Å; S138-Q143 VanDerWaalsContact C-O 3.27Å; S138-Q143 WeakPolarHBondContact O-CB 3.41Å; S138-Q143 PolarHBondContact O-N 3.26Å; S138-P146 WeakPolarHBondContact OG-CB 3.4Å
139R92.4Very high93.3Very high57 Ų5766.2 Ų66.222%0.21531%0.314CS..Hα-helixtrans-60.1-33.5174.6-76.3168.4-176.9169.8-0.8113I83 N84 C135 Q136 E137 L141 D142 Q143 W144I83-R139 PolarHBondContact O-NH2 2.96Å; N84-R139 PolarHBondContact OD1-NH1 3.08Å; C135-R139 VanDerWaalsContact O-CG 3.3Å; C135-R139 WeakPolarHBondContact O-CG 3.26Å; C135-R139 PolarHBondContact O-N 2.8Å; Q136-R139 PolarHBondContact O-N 3Å; E137-R139 VanDerWaalsContact C-N 3.35Å; E137-R139 PolarHBondContact O-N 3.2Å; R139-L141 PolarHBondContact O-N 3.45Å; R139-D142 PolarHBondContact O-N 2.84Å; R139-Q143 PolarHBondContact N-O 3.31Å; R139-W144 HydrophobicContact CG-CE3 4.32Å
140R90.5Very high93.3Very high179 Ų17960 Ų6068%0.67529%0.285SS*.THydrogen-bonded Turntrans-69.2-16.1174.9-66.4174.3-177.6175.93.6112.9Q136 E137 S138Q136-R140 WeakPolarHBondContact O-CG 3.25Å; Q136-R140 PolarHBondContact O-N 3.35Å; E137-R140 WeakPolarHBondContact O-CB 3.49Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-R140 VanDerWaalsContact O-N 3.12Å; S138-R140 VanDerWaalsContact C-N 3.25Å; S138-R140 PolarHBondContact O-N 2.93Å
141L90.9Very high92.8Very high135 Ų13564.1 Ų64.171%0.70730%0.304SS*.THydrogen-bonded Turntrans-102.921.6175.8-58.2175.7000111.7E137 S138 R139 Q143E137-L141 PolarHBondContact O-N 3.49Å; S138-L141 CarbonylContact O-C 3.43Å; S138-L141 WeakPolarHBondContact O-CA 3.44Å; S138-L141 WeakPolarHBondContact O-CB 3.23Å; S138-L141 PolarHBondContact O-N 3.3Å; R139-L141 PolarHBondContact O-N 3.45Å; L141-Q143 PolarHBondContact O-N 3.02Å; L141-Q143 VanDerWaalsContact O-N 3.11Å
142D89.9Confident91.8Very high134 Ų13470.3 Ų70.372%0.71733%0.334SS*.THydrogen-bonded Turntrans60.914.7-177.8-59.6-60.3000114.8S138 R139 W144S138-D142 PolarHBondContact O-N 3.12Å; R139-D142 PolarHBondContact O-N 2.84Å; D142-W144 PolarHBondContact O-N 3.11Å
143Q92.2Very high90.2Very high83 Ų8381.4 Ų81.439%0.38837%0.372SS..  trans-96.187.3173.8-168.8-179.22600109.9S138 R139 L141 V145 P146S138-Q143 CarbonylContact C-O 3.27Å; S138-Q143 VanDerWaalsContact C-O 3.27Å; S138-Q143 WeakPolarHBondContact O-CB 3.41Å; S138-Q143 PolarHBondContact O-N 3.26Å; R139-Q143 PolarHBondContact N-O 3.31Å; L141-Q143 PolarHBondContact O-N 3.02Å; L141-Q143 VanDerWaalsContact O-N 3.11Å; Q143-V145 PolarHBondContact O-N 3.43Å; Q143-P146 HydrophobicContact CG-CB 4.37Å
144W89.9Confident90Very high156 Ų15682.7 Ų82.759%0.59137%0.373SS*.SBendtrans-64.5-36.9-175-6993.4000114.4R139 D142R139-W144 HydrophobicContact CG-CE3 4.32Å; D142-W144 PolarHBondContact O-N 3.11Å
145V95.3Very high89.8Confident31 Ų3185.9 Ų85.919%0.18839%0.389CS..SBendtrans-122.591.3175.8-169.90000107.2Q75 I85 R87 Q143Q75-V145 HydrophobicContact CB-CG2 4.43Å; Q75-V145 HydrophobicContact CG-CG2 3.99Å; I85-V145 HydrophobicContact CG1-CG1 4.24Å; I85-V145 HydrophobicContact CG2-CG2 4.06Å; R87-V145 HydrophobicContact CB-CG1 4.41Å; R87-V145 HydrophobicContact CG-CG1 3.96Å; Q143-V145 PolarHBondContact O-N 3.43Å
146P95.2Very high89.5Confident0 Ų090.7 Ų90.70%041%0.41CS..  trans-68.5159.1177.729.7-36.3000112I85 L86 R87 Y134 S138 Q143I85-P146 WeakPolarHBondContact O-CD 3.49Å; L86-P146 CarbonylContact C-O 3.56Å; L86-P146 WeakPolarHBondContact CA-O 3.38Å; L86-P146 HydrophobicContact CB-CG 4.03Å; L86-P146 WeakPolarHBondContact CB-O 3.33Å; R87-P146 PolarHBondContact N-O 2.98Å; Y134-P146 HydrophobicContact CD1-CB 4.46Å; Y134-P146 HydrophobicContact CD1-CG 4.24Å; Y134-P146 HydrophobicContact CE1-CB 3.57Å; Y134-P146 HydrophobicContact CE1-CG 3.76Å; S138-P146 WeakPolarHBondContact OG-CB 3.4Å; Q143-P146 HydrophobicContact CG-CB 4.37Å
147E94.2Very high89.3Confident103 Ų10390 Ų9048%0.48141%0.406SS..EExtended strand (participates in β ladder)trans-117.7135.7-177.3-169.3-176.9173.200111.2R87 Y134R87-E147 HydrophobicContact CB-CB 4.48Å; R87-E147 HydrophobicContact CB-CG 4.28Å; R87-E147 CarbonylContact O-C 3.56Å; R87-E147 VanDerWaalsContact O-CA 3.3Å; R87-E147 WeakPolarHBondContact O-CA 3.48Å; Y134-E147 PolarHBondContact OH-O 2.9Å
148L95.3Very high89Confident0 Ų091.8 Ų91.80%041%0.413CS..EExtended strand (participates in β ladder)trans-123.5129.7171.7-63.2177.9000110M14 A17 R18 L21 L86 R87 V88 S89 Y134M14-L148 HydrophobicContact CG-CD2 3.66Å; A17-L148 HydrophobicContact CB-CD1 4.16Å; A17-L148 HydrophobicContact CB-CD2 4.42Å; R18-L148 HydrophobicContact CG-CB 4Å; R18-L148 HydrophobicContact CG-CD1 4.25Å; R18-L148 HydrophobicContact CG-CD2 3.93Å; R18-L148 HydrophobicContact CG-CG 4.28Å; L21-L148 HydrophobicContact CD2-CD1 4.02Å; L86-L148 HydrophobicContact CD2-CD1 4.36Å; R87-L148 PolarHBondContact O-N 2.87Å; V88-L148 WeakPolarHBondContact CA-O 3.31Å; V88-L148 WeakPolarHBondContact CB-O 3.41Å; V88-L148 HydrophobicContact CG1-CB 4.2Å; S89-L148 PolarHBondContact N-O 2.97Å; S89-L148 VanDerWaalsContact N-O 3.16Å; Y134-L148 HydrophobicContact CD1-CD1 4.39Å; Y134-L148 HydrophobicContact CD1-CD2 4.39Å; Y134-L148 HydrophobicContact CE1-CD1 4.11Å; Y134-L148 HydrophobicContact CE1-CD2 3.58Å; Y134-L148 HydrophobicContact CE1-CG 3.8Å; Y134-L148 HydrophobicContact CE2-CD2 4.15Å; Y134-L148 VanDerWaalsContact CZ-CD2 3.45Å; Y134-L148 WeakPolarHBondContact OH-CD2 3.44Å
149V94.4Very high88.7Confident65 Ų6597.3 Ų97.339%0.39444%0.437SS..EExtended strand (participates in β ladder)trans-84.1136.5172.4-177.50000108.3R18 S89R18-V149 PolarHBondContact NE-O 3.34Å; R18-V149 VanDerWaalsContact NH2-C 3.32Å; R18-V149 PolarHBondContact NH2-O 3.13Å; S89-V149 WeakPolarHBondContact OG-CA 3.39Å; S89-V149 WeakPolarHBondContact OG-CG2 3.49Å
150L92.3Very high88.5Confident8 Ų8100.2 Ų100.24%0.04245%0.453CS..  trans-100.8132.5171.1-61.5178.3000108.9E22 V88 S89 R93 L94E22-L150 HydrophobicContact CG-CD2 4.1Å; V88-L150 HydrophobicContact CB-CD1 4.37Å; V88-L150 HydrophobicContact CB-CG 4.43Å; V88-L150 HydrophobicContact CG2-CD1 4.47Å; S89-L150 WeakPolarHBondContact O-CB 3.37Å; S89-L150 PolarHBondContact O-N 3.46Å; R93-L150 HydrophobicContact CB-CB 3.89Å; R93-L150 HydrophobicContact CG-CB 3.78Å; L94-L150 HydrophobicContact CD1-CD1 4.43Å; L94-L150 HydrophobicContact CD2-CD1 3.43Å; L94-L150 VanDerWaalsContact CD2-CD1 3.43Å; L94-L150 HydrophobicContact CG-CD1 3.65Å
151Q83.7Confident88.3Confident134 Ų13494.2 Ų94.263%0.62644%0.436SS*.  trans-104140.5-176.9-71.6-178.2-53.500110.6R93R93-Q151 WeakPolarHBondContact CD-O 3.25Å; R93-Q151 PolarHBondContact NE-O 3.39Å
152E73.4Confident88.1Confident131 Ų13190.8 Ų90.861%0.61241%0.413SS*.  trans-64.7142.1165.6-60.1-173.4102.900109.4Q96Q96-E152 PolarHBondContact NE2-OE1 3.42Å
153R61.5Low87.9Confident244 Ų24486.8 Ų86.892%0.92139%0.386SS*.  trans-95.50-178.8-76.4-173171.8-153.3-1111.8

Retrieved 153 of 153 residues in 65.5 ms (Link to these results)

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