A0A096NGC8_PAPAN Loading...

Gypsy retrotransposon integrase-like protein 1

AlphaFold DB , UniProt , Accession A0A096NGC8, Species PAPAN (Papio anubis, Olive baboon), Gene GIN1, Length 522 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
1M39.3Very low46.1Very low218 Ų218104.8 Ų104.8100%1.07453%0.532SS*.  0139.50-139.4154.668.900106.7R3M1-R3 PolarHBondContact O-N 3Å
2V43.3Very low48.8Very low43 Ų4396.8 Ų96.826%0.26149%0.491SS..PPolyproline II helixtrans-66.6118.5170.7-172.20000104.8S4 H11 A39V2-S4 PolarHBondContact O-N 3.24Å; V2-H11 HydrophobicContact CG1-CB 4Å; V2-A39 HydrophobicContact CB-CB 4.46Å; V2-A39 HydrophobicContact CG1-CB 4.33Å; V2-A39 HydrophobicContact CG2-CB 3.46Å; V2-A39 VanDerWaalsContact CG2-CB 3.46Å
3R41.3Very low51.3Low219 Ų219100.2 Ų100.283%0.82650%0.501SS*.PPolyproline II helixtrans-65.4130.3177.7-74.1-175.8171.6178.6-3.6106.8M1 G5 H11M1-R3 PolarHBondContact O-N 3Å; R3-G5 PolarHBondContact O-N 2.85Å; R3-H11 PolarHBondContact O-CD2 2.86Å; R3-H11 VanDerWaalsContact O-CD2 3.3Å
4S44.6Very low53.6Low94 Ų9493.3 Ų93.366%0.65747%0.466SS*.PPolyproline II helixtrans-62.3118.3170.3-580000107.4V2V2-S4 PolarHBondContact O-N 3.24Å
5G45.3Very low55.7Low18 Ų1887.1 Ų87.119%0.18644%0.435CS..PPolyproline II helixtrans-60165.7157.500000109R3 N7 G8R3-G5 PolarHBondContact O-N 2.85Å; G5-N7 PolarHBondContact O-N 2.92Å; G5-G8 PolarHBondContact O-N 2.93Å
6K39.2Very low57.5Low219 Ų21983 Ų8395%0.95242%0.419SS*.THydrogen-bonded Turntrans-48.8-21.2-171.8-74-176.9173.9-177.10115.3
7N38.5Very low59.1Low133 Ų13381.3 Ų81.371%0.71141%0.407SS*.THydrogen-bonded Turntrans-121.613.9178-63.33000115.2G5 D9G5-N7 PolarHBondContact O-N 2.92Å; N7-D9 PolarHBondContact O-N 2.92Å
8G47.1Very low60.6Low20 Ų2079.6 Ų79.621%0.20640%0.395CS..SBendtrans69.3-24175.200000117.4G5 T102G5-G8 PolarHBondContact O-N 2.93Å; G8-T102 WeakPolarHBondContact O-CB 3.32Å; G8-T102 PolarHBondContact O-OG1 3.29Å
9D47.1Very low62Low63 Ų6379.5 Ų79.534%0.33739%0.393SS..  trans-94.4-12.1-173.8-69.6-45.7000114.7N7 H11 K70N7-D9 PolarHBondContact O-N 2.92Å; D9-H11 VanDerWaalsContact C-N 3.32Å; D9-H11 PolarHBondContact O-N 2.97Å; D9-K70 IonicContact OD1-NZ 2.66Å; D9-K70 PolarHBondContact OD1-NZ 3.18Å
10L52.3Low63.2Low99 Ų9983.3 Ų83.352%0.51840%0.402SS..Hα-helixtrans-73.4-16.7-161.2-136.777000115.4Q14L10-Q14 VanDerWaalsContact O-CD 3.28Å; L10-Q14 PolarHBondContact O-OE1 3.03Å
11H68.8Low64.3Low27 Ų2782.2 Ų82.213%0.12540%0.401CS..Hα-helixtrans-103.7-14.6-173.5-66.6-52.7000115.5V2 R3 D9 Q14 I15 E32V2-H11 HydrophobicContact CG1-CB 4Å; R3-H11 PolarHBondContact O-CD2 2.86Å; R3-H11 VanDerWaalsContact O-CD2 3.3Å; D9-H11 VanDerWaalsContact C-N 3.32Å; D9-H11 PolarHBondContact O-N 2.97Å; H11-Q14 PolarHBondContact ND1-OE1 3.05Å; H11-I15 HydrophobicContact CB-CD1 4.33Å; H11-I15 VanDerWaalsContact O-CB 3.3Å; H11-I15 WeakPolarHBondContact O-CB 3.16Å; H11-I15 VanDerWaalsContact O-CD1 3.24Å; H11-I15 WeakPolarHBondContact O-CD1 3.45Å; H11-I15 WeakPolarHBondContact O-CG1 3.35Å; H11-I15 PolarHBondContact O-N 3Å; H11-E32 IonicContact CE1-OE1 3.59Å
12L79Confident66.4Low8 Ų874.3 Ų74.34%0.04238%0.375CS..Hα-helixtrans-73.1-40.7-178.7-67.3176.8000112.3I15 A16 F43 V63 V65 Y100 W101 T102L12-I15 PolarHBondContact O-N 3.2Å; L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 2.96Å; L12-F43 HydrophobicContact CD2-CE1 4.01Å; L12-F43 HydrophobicContact CD2-CZ 3.92Å; L12-V63 HydrophobicContact CB-CG1 4.46Å; L12-V63 HydrophobicContact CD1-CG1 3.9Å; L12-V63 HydrophobicContact CD2-CG1 4.06Å; L12-V63 HydrophobicContact CG-CG1 4.37Å; L12-V65 HydrophobicContact CB-CG2 4.26Å; L12-Y100 HydrophobicContact CD2-CE1 4.16Å; L12-W101 HydrophobicContact CD1-CB 4.28Å; L12-T102 HydrophobicContact CD1-CG2 4.42Å
13K81.1Confident68.5Low141 Ų14178.3 Ų78.361%0.61339%0.391SS*.Hα-helixtrans-61.6-44.1173.9-69.3-179.9-178.6175.90111.7A16 Y17 V65K13-A16 PolarHBondContact O-N 3.14Å; K13-Y17 WeakPolarHBondContact O-CB 3.13Å; K13-Y17 PolarHBondContact O-N 3.29Å; K13-V65 HydrophobicContact CD-CG1 4.11Å; K13-V65 VanDerWaalsContact CE-CG1 3.43Å; K13-V65 HydrophobicContact CG-CG1 3.51Å
14Q83.9Confident70.6Confident4 Ų470.8 Ų70.82%0.01936%0.363CS..Hα-helixtrans-66.4-40.1177.8-64.5172.9-25.600111.9L10 H11 Y17 Y18 H25 T27 I36L10-Q14 VanDerWaalsContact O-CD 3.28Å; L10-Q14 PolarHBondContact O-OE1 3.03Å; H11-Q14 PolarHBondContact ND1-OE1 3.05Å; Q14-Y17 PolarHBondContact O-N 3.23Å; Q14-Y18 WeakPolarHBondContact O-CB 3.43Å; Q14-Y18 PolarHBondContact O-N 3.02Å; Q14-H25 HydrophobicContact CB-CB 4.41Å; Q14-H25 HydrophobicContact CG-CB 4.17Å; Q14-T27 PolarHBondContact NE2-O 3.01Å; Q14-I36 HydrophobicContact CB-CD1 4.01Å
15I84.3Confident72.5Confident0 Ų069 Ų690%034%0.344CS..Hα-helixtrans-65.9-42.1174.7-70.8163.3000111H11 L12 Y18 K19 I36 A39 A40 F43 L50H11-I15 HydrophobicContact CB-CD1 4.33Å; H11-I15 VanDerWaalsContact O-CB 3.3Å; H11-I15 WeakPolarHBondContact O-CB 3.16Å; H11-I15 VanDerWaalsContact O-CD1 3.24Å; H11-I15 WeakPolarHBondContact O-CD1 3.45Å; H11-I15 WeakPolarHBondContact O-CG1 3.35Å; H11-I15 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 3.2Å; I15-Y18 PolarHBondContact O-N 3.39Å; I15-K19 WeakPolarHBondContact O-CB 3.46Å; I15-K19 WeakPolarHBondContact O-CG 3.17Å; I15-K19 PolarHBondContact O-N 2.79Å; I15-I36 HydrophobicContact CG1-CG2 4.04Å; I15-A39 HydrophobicContact CD1-CB 3.67Å; I15-A39 HydrophobicContact CG1-CB 4.33Å; I15-A40 HydrophobicContact CG2-CB 4.16Å; I15-F43 HydrophobicContact CD1-CE2 4.03Å; I15-F43 HydrophobicContact CG2-CB 4.13Å; I15-F43 HydrophobicContact CG2-CD2 3.75Å; I15-F43 HydrophobicContact CG2-CE2 4.26Å; I15-F43 HydrophobicContact CG2-CG 3.91Å; I15-L50 HydrophobicContact CG2-CD2 4.23Å
16A84.3Confident74.3Confident22 Ų2273.4 Ų73.418%0.18237%0.37CS..Hα-helixtrans-60.2-46.5176.200000111.2L12 K13 K19 R20 L50L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 2.96Å; K13-A16 PolarHBondContact O-N 3.14Å; A16-K19 PolarHBondContact O-N 3.46Å; A16-R20 WeakPolarHBondContact O-CB 2.76Å; A16-R20 PolarHBondContact O-N 2.86Å; A16-L50 HydrophobicContact CB-CD2 3.97Å
17Y85.2Confident76.4Confident54 Ų5467.4 Ų67.421%0.21235%0.352CS..Hα-helixtrans-60.7-51.6176.6-171.3-86.9000111.3K13 Q14 K19 R20 T21 E23 H25K13-Y17 WeakPolarHBondContact O-CB 3.13Å; K13-Y17 PolarHBondContact O-N 3.29Å; Q14-Y17 PolarHBondContact O-N 3.23Å; Y17-K19 VanDerWaalsContact C-N 3.27Å; Y17-K19 PolarHBondContact O-N 2.79Å; Y17-R20 PolarHBondContact O-N 3.17Å; Y17-T21 WeakPolarHBondContact CD1-OG1 3.3Å; Y17-T21 HydrophobicContact CE1-CG2 4.2Å; Y17-T21 VanDerWaalsContact CE1-OG1 3.29Å; Y17-T21 WeakPolarHBondContact CE1-OG1 3.46Å; Y17-T21 HydrophobicContact CE2-CG2 4.22Å; Y17-T21 PolarHBondContact O-N 3.07Å; Y17-T21 PolarHBondContact O-OG1 2.81Å; Y17-T21 VanDerWaalsContact O-OG1 3.05Å; Y17-E23 WeakPolarHBondContact CD1-O 3.25Å; Y17-E23 HydrophobicContact CE1-CB 4.4Å; Y17-H25 HydrophobicContact CD1-CB 3.9Å; Y17-H25 AromaticContact CD2-CD2 3.59Å; Y17-H25 HydrophobicContact CG-CB 3.97Å; Y17-H25 AromaticContact CG-CD2 3.68Å
18Y86.9Confident78.4Confident50 Ų5061.5 Ų61.520%0.19632%0.32CS..Hα-helixtrans-58.3-37.1178.5179.7-107.6000113.2Q14 I15 G22 E23 Y24 I36 R37 A40Q14-Y18 WeakPolarHBondContact O-CB 3.43Å; Q14-Y18 PolarHBondContact O-N 3.02Å; I15-Y18 PolarHBondContact O-N 3.39Å; Y18-G22 WeakPolarHBondContact CE2-O 3.38Å; Y18-G22 VanDerWaalsContact O-CA 3.25Å; Y18-G22 WeakPolarHBondContact O-CA 3.2Å; Y18-G22 PolarHBondContact O-N 2.78Å; Y18-E23 VanDerWaalsContact CA-O 3.25Å; Y18-E23 WeakPolarHBondContact CA-O 3.44Å; Y18-Y24 HydrophobicContact CD2-CD1 4.05Å; Y18-Y24 HydrophobicContact CD2-CE1 4Å; Y18-Y24 HydrophobicContact CE2-CD1 4.4Å; Y18-Y24 AromaticContact CE2-CE1 3.95Å; Y18-Y24 HydrophobicContact CE2-CE1 3.95Å; Y18-Y24 HydrophobicContact CE2-CE2 4.48Å; Y18-Y24 AromaticContact CE2-CZ 3.99Å; Y18-I36 HydrophobicContact CD1-CG2 4.38Å; Y18-I36 HydrophobicContact CG-CG2 4.3Å; Y18-R37 HydrophobicContact CE1-CB 4.47Å; Y18-R37 HydrophobicContact CE1-CG 4.44Å; Y18-A40 HydrophobicContact CD1-CB 3.72Å; Y18-A40 HydrophobicContact CE1-CB 4.01Å
19K86.6Confident80Confident79 Ų7965.4 Ų65.434%0.34334%0.336SS..Hα-helixtrans-74.3-25.7176.2-80.6-70.6-178160.40114.4I15 A16 Y17 A40 F43 F45 L50I15-K19 WeakPolarHBondContact O-CB 3.46Å; I15-K19 WeakPolarHBondContact O-CG 3.17Å; I15-K19 PolarHBondContact O-N 2.79Å; A16-K19 PolarHBondContact O-N 3.46Å; Y17-K19 VanDerWaalsContact C-N 3.27Å; Y17-K19 PolarHBondContact O-N 2.79Å; K19-A40 HydrophobicContact CD-CB 4.47Å; K19-A40 VanDerWaalsContact CE-C 3.43Å; K19-A40 WeakPolarHBondContact CE-O 3.47Å; K19-A40 HydrophobicContact CG-CB 4.25Å; K19-A40 PolarHBondContact NZ-O 2.84Å; K19-F43 WeakPolarHBondContact CE-O 3.29Å; K19-F43 PolarHBondContact NZ-O 2.98Å; K19-F45 HydrophobicContact CB-CB 4.02Å; K19-L50 HydrophobicContact CB-CD1 4.34Å; K19-L50 HydrophobicContact CG-CD1 4.47Å
20R86Confident81.6Confident155 Ų15567 Ų6759%0.58535%0.35SS*.Hα-helixtrans-83.9-44.3179.1-177.1-179.467165.61.4112.1A16 Y17 F45A16-R20 WeakPolarHBondContact O-CB 2.76Å; A16-R20 PolarHBondContact O-N 2.86Å; Y17-R20 PolarHBondContact O-N 3.17Å; R20-F45 HydrophobicContact CB-CD1 4.29Å; R20-F45 HydrophobicContact CB-CE1 4.16Å; R20-F45 HydrophobicContact CB-CZ 4.31Å; R20-F45 HydrophobicContact CG-CD1 4.4Å; R20-F45 HydrophobicContact CG-CE1 3.91Å; R20-F45 HydrophobicContact CG-CZ 4.19Å
21T86.3Confident82.9Confident61 Ų6167.3 Ų67.337%0.37436%0.36SS..Hα-helixtrans-105.7-20-171.463.20000113.6Y17 E23Y17-T21 WeakPolarHBondContact CD1-OG1 3.3Å; Y17-T21 HydrophobicContact CE1-CG2 4.2Å; Y17-T21 VanDerWaalsContact CE1-OG1 3.29Å; Y17-T21 WeakPolarHBondContact CE1-OG1 3.46Å; Y17-T21 HydrophobicContact CE2-CG2 4.22Å; Y17-T21 PolarHBondContact O-N 3.07Å; Y17-T21 PolarHBondContact O-OG1 2.81Å; Y17-T21 VanDerWaalsContact O-OG1 3.05Å; T21-E23 PolarHBondContact O-N 2.82Å; T21-E23 PolarHBondContact OG1-N 2.92Å; T21-E23 PolarHBondContact OG1-O 3.26Å
22G83.7Confident83.4Confident52 Ų5268.2 Ų68.254%0.53636%0.364SS..SBendtrans79.3-6.8-169.800000114Y18Y18-G22 WeakPolarHBondContact CE2-O 3.38Å; Y18-G22 VanDerWaalsContact O-CA 3.25Å; Y18-G22 WeakPolarHBondContact O-CA 3.2Å; Y18-G22 PolarHBondContact O-N 2.78Å
23E87.8Confident83.6Confident126 Ų12673 Ų7359%0.58938%0.382SS*.SBendtrans-106.6159.4-178.8-63-175.4168.900111.8Y17 Y18 T21Y17-E23 WeakPolarHBondContact CD1-O 3.25Å; Y17-E23 HydrophobicContact CE1-CB 4.4Å; Y18-E23 VanDerWaalsContact CA-O 3.25Å; Y18-E23 WeakPolarHBondContact CA-O 3.44Å; T21-E23 PolarHBondContact O-N 2.82Å; T21-E23 PolarHBondContact OG1-N 2.92Å; T21-E23 PolarHBondContact OG1-O 3.26Å
24Y85.2Confident83.6Confident61 Ų6169 Ų6924%0.23937%0.372CS..  trans-79.4139.2176.7-61.5-79000110.6Y18 T28 R33Y18-Y24 HydrophobicContact CD2-CD1 4.05Å; Y18-Y24 HydrophobicContact CD2-CE1 4Å; Y18-Y24 HydrophobicContact CE2-CD1 4.4Å; Y18-Y24 AromaticContact CE2-CE1 3.95Å; Y18-Y24 HydrophobicContact CE2-CE1 3.95Å; Y18-Y24 HydrophobicContact CE2-CE2 4.48Å; Y18-Y24 AromaticContact CE2-CZ 3.99Å; Y24-T28 HydrophobicContact CD1-CG2 4.33Å; Y24-R33 HydrophobicContact CD1-CB 3.99Å; Y24-R33 HydrophobicContact CD1-CG 3.74Å; Y24-R33 HydrophobicContact CD2-CG 4.09Å; Y24-R33 HydrophobicContact CE1-CB 3.58Å; Y24-R33 HydrophobicContact CE1-CG 3.87Å; Y24-R33 HydrophobicContact CE2-CB 4.26Å; Y24-R33 HydrophobicContact CE2-CG 4.21Å; Y24-R33 HydrophobicContact CG-CB 4.48Å; Y24-R33 HydrophobicContact CG-CG 3.86Å
25H83.9Confident83.4Confident56 Ų5670.6 Ų70.626%0.25939%0.389SS..  trans-58.6142.7176.5-171.5-90.1000110.2Q14 Y17 T27 T28Q14-H25 HydrophobicContact CB-CB 4.41Å; Q14-H25 HydrophobicContact CG-CB 4.17Å; Y17-H25 HydrophobicContact CD1-CB 3.9Å; Y17-H25 AromaticContact CD2-CD2 3.59Å; Y17-H25 HydrophobicContact CG-CB 3.97Å; Y17-H25 AromaticContact CG-CD2 3.68Å; H25-T27 PolarHBondContact CE1-OG1 3.02Å; H25-T27 PolarHBondContact ND1-N 3.44Å; H25-T27 PolarHBondContact ND1-OG1 2.9Å; H25-T27 PolarHBondContact O-N 3.38Å; H25-T28 WeakPolarHBondContact CB-OG1 3.44Å; H25-T28 PolarHBondContact N-OG1 2.88Å; H25-T28 WeakPolarHBondContact O-CA 3.14Å; H25-T28 WeakPolarHBondContact O-CB 3.42Å; H25-T28 PolarHBondContact O-N 2.8Å; H25-T28 PolarHBondContact O-OG1 3.35Å
26P82.9Confident83.2Confident111 Ų11170.7 Ų70.772%0.72139%0.389SS*.THydrogen-bonded Turntrans-54.2-30.5-176.9-29.635.6000114.8T28P26-T28 PolarHBondContact O-N 3.19Å
27T83.8Confident83.2Confident94 Ų9475.9 Ų75.958%0.57740%0.404SS*.THydrogen-bonded Turntrans-814.8176.567.30000114.3Q14 H25Q14-T27 PolarHBondContact NE2-O 3.01Å; H25-T27 PolarHBondContact CE1-OG1 3.02Å; H25-T27 PolarHBondContact ND1-N 3.44Å; H25-T27 PolarHBondContact ND1-OG1 2.9Å; H25-T27 PolarHBondContact O-N 3.38Å
28T80.1Confident83Confident9 Ų981.3 Ų81.36%0.05542%0.424CS..  trans-85.5117.4-178.5-52.90000110.8Y24 H25 P26 E32 R33 I36Y24-T28 HydrophobicContact CD1-CG2 4.33Å; H25-T28 WeakPolarHBondContact CB-OG1 3.44Å; H25-T28 PolarHBondContact N-OG1 2.88Å; H25-T28 WeakPolarHBondContact O-CA 3.14Å; H25-T28 WeakPolarHBondContact O-CB 3.42Å; H25-T28 PolarHBondContact O-N 2.8Å; H25-T28 PolarHBondContact O-OG1 3.35Å; P26-T28 PolarHBondContact O-N 3.19Å; T28-E32 HydrophobicContact CG2-CB 4.34Å; T28-R33 HydrophobicContact CG2-CG 3.96Å; T28-I36 HydrophobicContact CG2-CD1 3.21Å
29L81.9Confident82.8Confident102 Ų10279.2 Ų79.253%0.53442%0.418SS..  trans-69.2146.4175.7-66.5170.9000111.2S31 E32 R33L29-S31 PolarHBondContact O-N 3.48Å; L29-E32 HydrophobicContact CB-CG 4.1Å; L29-E32 PolarHBondContact N-OE2 2.97Å; L29-E32 PolarHBondContact O-N 3.05Å; L29-R33 PolarHBondContact O-N 2.94Å
30P80.7Confident82.7Confident97 Ų9775.5 Ų75.563%0.6340%0.402SS*.G310 helixtrans-53.9-36.8178.8-28.435.7000114.3E32 R33P30-E32 PolarHBondContact O-N 2.94Å; P30-R33 PolarHBondContact O-N 3.4Å
31S79.6Confident82.7Confident104 Ų10475.5 Ų75.573%0.72741%0.406SS*.G310 helixtrans-64-24.617752.10000113.7L29L29-S31 PolarHBondContact O-N 3.48Å
32E78.6Confident82.6Confident46 Ų4675.1 Ų75.122%0.21540%0.399CS..G310 helixtrans-92-19.4-175.9-60.3-179.5141.700113H11 T28 L29 P30 S34 G35 I36H11-E32 IonicContact CE1-OE1 3.59Å; T28-E32 HydrophobicContact CG2-CB 4.34Å; L29-E32 HydrophobicContact CB-CG 4.1Å; L29-E32 PolarHBondContact N-OE2 2.97Å; L29-E32 PolarHBondContact O-N 3.05Å; P30-E32 PolarHBondContact O-N 2.94Å; E32-S34 VanDerWaalsContact C-N 3.31Å; E32-S34 PolarHBondContact O-N 3.21Å; E32-G35 WeakPolarHBondContact O-CA 3.26Å; E32-G35 PolarHBondContact O-N 2.95Å; E32-I36 HydrophobicContact CB-CD1 4.23Å; E32-I36 PolarHBondContact O-N 3.24Å
33R82.7Confident82.8Confident109 Ų10972.7 Ų72.741%0.41137%0.374SS..Hα-helixtrans-54.2-43.9-175.5-67.6-177.4-178.8-179.9-1.2112.9Y24 T28 L29 P30 G35 I36 R37Y24-R33 HydrophobicContact CD1-CB 3.99Å; Y24-R33 HydrophobicContact CD1-CG 3.74Å; Y24-R33 HydrophobicContact CD2-CG 4.09Å; Y24-R33 HydrophobicContact CE1-CB 3.58Å; Y24-R33 HydrophobicContact CE1-CG 3.87Å; Y24-R33 HydrophobicContact CE2-CB 4.26Å; Y24-R33 HydrophobicContact CE2-CG 4.21Å; Y24-R33 HydrophobicContact CG-CB 4.48Å; Y24-R33 HydrophobicContact CG-CG 3.86Å; T28-R33 HydrophobicContact CG2-CG 3.96Å; L29-R33 PolarHBondContact O-N 2.94Å; P30-R33 PolarHBondContact O-N 3.4Å; R33-G35 VanDerWaalsContact C-N 3.32Å; R33-G35 PolarHBondContact O-N 3.45Å; R33-I36 PolarHBondContact O-N 3.43Å; R33-R37 WeakPolarHBondContact O-CB 3.48Å; R33-R37 PolarHBondContact O-N 3.31Å
34S80.6Confident82.9Confident58 Ų5868.9 Ų68.941%0.40636%0.359SS..Hα-helixtrans-63.9-38.2177.5-172.80000112.1E32 R38E32-S34 VanDerWaalsContact C-N 3.31Å; E32-S34 PolarHBondContact O-N 3.21Å; S34-R38 WeakPolarHBondContact O-CB 3.2Å; S34-R38 PolarHBondContact O-N 2.99Å; S34-R38 VanDerWaalsContact O-N 3.14Å
35G79.4Confident83Confident36 Ų3669 Ų6937%0.37136%0.361SS..Hα-helixtrans-65-48175.500000112.3E32 R33 R38 A39E32-G35 WeakPolarHBondContact O-CA 3.26Å; E32-G35 PolarHBondContact O-N 2.95Å; R33-G35 VanDerWaalsContact C-N 3.32Å; R33-G35 PolarHBondContact O-N 3.45Å; G35-R38 PolarHBondContact O-N 3.49Å; G35-A39 WeakPolarHBondContact O-CB 3.39Å; G35-A39 PolarHBondContact O-N 3Å
36I82.1Confident83Confident3 Ų372.3 Ų72.32%0.01537%0.374CS..Hα-helixtrans-61.5-47178.2-69.4159.1000110.8Q14 I15 Y18 T28 E32 R33 R38 A39 A40Q14-I36 HydrophobicContact CB-CD1 4.01Å; I15-I36 HydrophobicContact CG1-CG2 4.04Å; Y18-I36 HydrophobicContact CD1-CG2 4.38Å; Y18-I36 HydrophobicContact CG-CG2 4.3Å; T28-I36 HydrophobicContact CG2-CD1 3.21Å; E32-I36 HydrophobicContact CB-CD1 4.23Å; E32-I36 PolarHBondContact O-N 3.24Å; R33-I36 PolarHBondContact O-N 3.43Å; I36-R38 VanDerWaalsContact C-N 3.31Å; I36-R38 PolarHBondContact O-N 3.46Å; I36-A39 PolarHBondContact O-N 3.45Å; I36-A40 WeakPolarHBondContact O-CB 3.31Å; I36-A40 PolarHBondContact O-N 2.79Å
37R83.3Confident82.9Confident130 Ų13075.3 Ų75.349%0.49138%0.379SS..Hα-helixtrans-59.4-41.6177.6-177.2171.461.1-162.4-2.1112.3Y18 R33Y18-R37 HydrophobicContact CE1-CB 4.47Å; Y18-R37 HydrophobicContact CE1-CG 4.44Å; R33-R37 WeakPolarHBondContact O-CB 3.48Å; R33-R37 PolarHBondContact O-N 3.31Å
38R81.6Confident82.9Confident168 Ų16880.1 Ų80.163%0.63439%0.392SS*.Hα-helixtrans-67.8-41.6177.2-168.7-176-65.8124.8-4.9111.6S34 G35 I36S34-R38 WeakPolarHBondContact O-CB 3.2Å; S34-R38 PolarHBondContact O-N 2.99Å; S34-R38 VanDerWaalsContact O-N 3.14Å; G35-R38 PolarHBondContact O-N 3.49Å; I36-R38 VanDerWaalsContact C-N 3.31Å; I36-R38 PolarHBondContact O-N 3.46Å
39A81.8Confident83.2Confident7 Ų785.1 Ų85.16%0.05841%0.413CS..Hα-helixtrans-64.5-46.5177.900000111.9V2 I15 G35 I36 K41 K42 F43V2-A39 HydrophobicContact CB-CB 4.46Å; V2-A39 HydrophobicContact CG1-CB 4.33Å; V2-A39 HydrophobicContact CG2-CB 3.46Å; V2-A39 VanDerWaalsContact CG2-CB 3.46Å; I15-A39 HydrophobicContact CD1-CB 3.67Å; I15-A39 HydrophobicContact CG1-CB 4.33Å; G35-A39 WeakPolarHBondContact O-CB 3.39Å; G35-A39 PolarHBondContact O-N 3Å; I36-A39 PolarHBondContact O-N 3.45Å; A39-K41 PolarHBondContact O-N 3.37Å; A39-K42 WeakPolarHBondContact O-CB 3.5Å; A39-K42 PolarHBondContact O-N 3.25Å; A39-F43 VanDerWaalsContact O-CD2 3.29Å; A39-F43 WeakPolarHBondContact O-CD2 3.37Å
40A85.2Confident83.5Confident1 Ų180.7 Ų80.71%0.00839%0.389CS..Hα-helixtrans-57-26-176.700000112.6I15 Y18 K19 I36 K42 F43I15-A40 HydrophobicContact CG2-CB 4.16Å; Y18-A40 HydrophobicContact CD1-CB 3.72Å; Y18-A40 HydrophobicContact CE1-CB 4.01Å; K19-A40 HydrophobicContact CD-CB 4.47Å; K19-A40 VanDerWaalsContact CE-C 3.43Å; K19-A40 WeakPolarHBondContact CE-O 3.47Å; K19-A40 HydrophobicContact CG-CB 4.25Å; K19-A40 PolarHBondContact NZ-O 2.84Å; I36-A40 WeakPolarHBondContact O-CB 3.31Å; I36-A40 PolarHBondContact O-N 2.79Å; A40-K42 PolarHBondContact O-N 3.48Å; A40-F43 PolarHBondContact O-N 3.06Å; A40-F43 VanDerWaalsContact O-O 3.11Å
41K84.7Confident83.9Confident155 Ų15577.5 Ų77.567%0.67437%0.366SS*.THydrogen-bonded Turntrans-54.3-26173.4-67.4-174178.1-173.10113.9A39A39-K41 PolarHBondContact O-N 3.37Å
42K85.8Confident84.3Confident53 Ų5374.1 Ų74.123%0.2334%0.337CS..THydrogen-bonded Turntrans-89.82.9178.7-56.7-176.3177.6-169.50114A39 A40 Y52 V53A39-K42 WeakPolarHBondContact O-CB 3.5Å; A39-K42 PolarHBondContact O-N 3.25Å; A40-K42 PolarHBondContact O-N 3.48Å; K42-Y52 HydrophobicContact CB-CD2 4.24Å; K42-Y52 HydrophobicContact CB-CE2 3.79Å; K42-Y52 HydrophobicContact CD-CE2 4.05Å; K42-V53 VanDerWaalsContact O-CG2 3.3Å; K42-V53 WeakPolarHBondContact O-CG2 3.38Å; K42-V53 PolarHBondContact O-N 2.82Å
43F87.7Confident84.6Confident1 Ų172.6 Ų72.60%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-125.4149.4-176.6-61.7-94.3000111.6L12 I15 K19 A39 A40 L50 F51 Y52 V63 Y100L12-F43 HydrophobicContact CD2-CE1 4.01Å; L12-F43 HydrophobicContact CD2-CZ 3.92Å; I15-F43 HydrophobicContact CD1-CE2 4.03Å; I15-F43 HydrophobicContact CG2-CB 4.13Å; I15-F43 HydrophobicContact CG2-CD2 3.75Å; I15-F43 HydrophobicContact CG2-CE2 4.26Å; I15-F43 HydrophobicContact CG2-CG 3.91Å; K19-F43 WeakPolarHBondContact CE-O 3.29Å; K19-F43 PolarHBondContact NZ-O 2.98Å; A39-F43 VanDerWaalsContact O-CD2 3.29Å; A39-F43 WeakPolarHBondContact O-CD2 3.37Å; A40-F43 PolarHBondContact O-N 3.06Å; A40-F43 VanDerWaalsContact O-O 3.11Å; F43-L50 HydrophobicContact CB-CD1 3.88Å; F43-L50 HydrophobicContact CB-CG 4.35Å; F43-L50 HydrophobicContact CD1-CD1 4.49Å; F43-L50 HydrophobicContact CD1-CD2 3.87Å; F43-L50 HydrophobicContact CD1-CG 4.04Å; F43-L50 HydrophobicContact CE1-CD2 4.4Å; F43-L50 HydrophobicContact CG-CD2 4.43Å; F43-F51 CarbonylContact C-O 3.55Å; F43-F51 WeakPolarHBondContact CA-O 3.25Å; F43-Y52 HydrophobicContact CD1-CD2 4.09Å; F43-Y52 AromaticContact CE1-CD2 3.65Å; F43-Y52 HydrophobicContact CE1-CD2 3.65Å; F43-Y52 HydrophobicContact CE1-CG 4.3Å; F43-Y52 HydrophobicContact CE2-CD2 4.19Å; F43-Y52 AromaticContact CZ-CD2 3.71Å; F43-Y52 HydrophobicContact CZ-CD2 3.71Å; F43-Y52 HydrophobicContact CZ-CE2 4.31Å; F43-V63 HydrophobicContact CD1-CG2 3.82Å; F43-V63 HydrophobicContact CE1-CG2 3.76Å; F43-Y100 HydrophobicContact CE1-CD1 4.03Å; F43-Y100 AromaticContact CE1-CE1 3.83Å; F43-Y100 HydrophobicContact CE1-CE1 3.83Å; F43-Y100 HydrophobicContact CZ-CD1 4.46Å; F43-Y100 AromaticContact CZ-CE1 3.79Å; F43-Y100 HydrophobicContact CZ-CE1 3.79Å
44V88.6Confident84.3Confident46 Ų4667.8 Ų67.828%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-131.7130.6178.2176.10000107.9K46 F51 V53V44-K46 HydrophobicContact CG1-CD 3.88Å; V44-K46 HydrophobicContact CG1-CG 3.83Å; V44-F51 PolarHBondContact N-O 3.28Å; V44-F51 PolarHBondContact O-N 2.8Å; V44-V53 HydrophobicContact CB-CG1 4.21Å; V44-V53 HydrophobicContact CG2-CG1 3.77Å; V44-V53 HydrophobicContact CG2-CG2 3.91Å
45F87.2Confident83.7Confident64 Ų6473.5 Ų73.528%0.28133%0.333SS..EExtended strand (participates in β ladder)trans-98.4119.8174.8-167.1-97.6000108.4K19 R20 K48 K49 L50K19-F45 HydrophobicContact CB-CB 4.02Å; R20-F45 HydrophobicContact CB-CD1 4.29Å; R20-F45 HydrophobicContact CB-CE1 4.16Å; R20-F45 HydrophobicContact CB-CZ 4.31Å; R20-F45 HydrophobicContact CG-CD1 4.4Å; R20-F45 HydrophobicContact CG-CE1 3.91Å; R20-F45 HydrophobicContact CG-CZ 4.19Å; F45-K48 VanDerWaalsContact CZ-C 3.46Å; F45-K48 WeakPolarHBondContact CZ-O 3.33Å; F45-K49 WeakPolarHBondContact CA-O 3.34Å; F45-K49 WeakPolarHBondContact CD2-O 3.07Å; F45-L50 HydrophobicContact CB-CD1 4.32Å; F45-L50 HydrophobicContact CD2-CB 4.23Å; F45-L50 HydrophobicContact CD2-CD1 4.15Å
46K85.6Confident83Confident124 Ų12478 Ų7854%0.53935%0.349SS..EExtended strand (participates in β ladder)trans-142.2140.4-178.1-82.5175.2177.3-171.40108.7V44 K48 K49 F51V44-K46 HydrophobicContact CG1-CD 3.88Å; V44-K46 HydrophobicContact CG1-CG 3.83Å; K46-K48 VanDerWaalsContact C-N 3.25Å; K46-K48 PolarHBondContact O-N 3.15Å; K46-K48 VanDerWaalsContact O-N 3.17Å; K46-K49 PolarHBondContact N-O 2.86Å; K46-K49 CarbonylContact O-C 3.53Å; K46-K49 WeakPolarHBondContact O-CA 3.24Å; K46-K49 PolarHBondContact O-N 3.31Å; K46-F51 HydrophobicContact CB-CD2 4.16Å; K46-F51 HydrophobicContact CB-CE2 4.1Å
47E81.2Confident82.3Confident175 Ų17587.4 Ų87.482%0.81838%0.384SS*.THydrogen-bonded Turntrans52.542.6173.6-60.2174.7-174.600113.5K49E47-K49 PolarHBondContact O-N 3.23Å
48K83.3Confident81.6Confident194 Ų19490.6 Ų90.684%0.84340%0.401SS*.THydrogen-bonded Turntrans61.29.8-176.2-55.1178.3179.8176.70115.1F45 K46F45-K48 VanDerWaalsContact CZ-C 3.46Å; F45-K48 WeakPolarHBondContact CZ-O 3.33Å; K46-K48 VanDerWaalsContact C-N 3.25Å; K46-K48 PolarHBondContact O-N 3.15Å; K46-K48 VanDerWaalsContact O-N 3.17Å
49K86.3Confident81.1Confident114 Ų11487 Ų8750%0.49639%0.392SS..EExtended strand (participates in β ladder)trans-118150.2178.9-69.3178.1177.5-177.30111F45 K46 E47 F51 L62F45-K49 WeakPolarHBondContact CA-O 3.34Å; F45-K49 WeakPolarHBondContact CD2-O 3.07Å; K46-K49 PolarHBondContact N-O 2.86Å; K46-K49 CarbonylContact O-C 3.53Å; K46-K49 WeakPolarHBondContact O-CA 3.24Å; K46-K49 PolarHBondContact O-N 3.31Å; E47-K49 PolarHBondContact O-N 3.23Å; K49-F51 HydrophobicContact CB-CE2 3.82Å; K49-F51 HydrophobicContact CB-CZ 4.26Å; K49-L62 HydrophobicContact CB-CD1 3.79Å; K49-L62 HydrophobicContact CD-CD1 3.82Å; K49-L62 HydrophobicContact CG-CD1 4.17Å
50L88.3Confident81.2Confident9 Ų991.3 Ų91.35%0.04741%0.414CS..EExtended strand (participates in β ladder)trans-96.1132.8175.4-172.671.4000109.2I15 A16 K19 F43 F45 V63I15-L50 HydrophobicContact CG2-CD2 4.23Å; A16-L50 HydrophobicContact CB-CD2 3.97Å; K19-L50 HydrophobicContact CB-CD1 4.34Å; K19-L50 HydrophobicContact CG-CD1 4.47Å; F43-L50 HydrophobicContact CB-CD1 3.88Å; F43-L50 HydrophobicContact CB-CG 4.35Å; F43-L50 HydrophobicContact CD1-CD1 4.49Å; F43-L50 HydrophobicContact CD1-CD2 3.87Å; F43-L50 HydrophobicContact CD1-CG 4.04Å; F43-L50 HydrophobicContact CE1-CD2 4.4Å; F43-L50 HydrophobicContact CG-CD2 4.43Å; F45-L50 HydrophobicContact CB-CD1 4.32Å; F45-L50 HydrophobicContact CD2-CB 4.23Å; F45-L50 HydrophobicContact CD2-CD1 4.15Å; L50-V63 HydrophobicContact CB-CB 4.08Å; L50-V63 HydrophobicContact CB-CG2 4.27Å; L50-V63 HydrophobicContact CD2-CB 4.16Å; L50-V63 HydrophobicContact CD2-CG1 4.15Å; L50-V63 HydrophobicContact CD2-CG2 4.04Å; L50-V63 HydrophobicContact CG-CB 4.22Å; L50-V63 HydrophobicContact CG-CG2 3.95Å; L50-V63 VanDerWaalsContact O-CB 3.31Å; L50-V63 WeakPolarHBondContact O-CB 3.37Å; L50-V63 WeakPolarHBondContact O-CG2 3.3Å; L50-V63 PolarHBondContact O-N 2.85Å
51F88.7Confident81.4Confident31 Ų3193.3 Ų93.314%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-119.4139.8177.1-66.8-91.9000110.8F43 V44 K46 K49 N60 R61 L62F43-F51 CarbonylContact C-O 3.55Å; F43-F51 WeakPolarHBondContact CA-O 3.25Å; V44-F51 PolarHBondContact N-O 3.28Å; V44-F51 PolarHBondContact O-N 2.8Å; K46-F51 HydrophobicContact CB-CD2 4.16Å; K46-F51 HydrophobicContact CB-CE2 4.1Å; K49-F51 HydrophobicContact CB-CE2 3.82Å; K49-F51 HydrophobicContact CB-CZ 4.26Å; F51-N60 VanDerWaalsContact CB-OD1 3.23Å; F51-N60 WeakPolarHBondContact CB-OD1 3.39Å; F51-N60 WeakPolarHBondContact CD1-OD1 3.3Å; F51-N60 WeakPolarHBondContact CG-OD1 3.49Å; F51-R61 CarbonylContact C-O 3.49Å; F51-R61 VanDerWaalsContact CA-O 3.26Å; F51-R61 WeakPolarHBondContact CA-O 3.29Å; F51-L62 HydrophobicContact CD1-CB 4.42Å; F51-L62 HydrophobicContact CD1-CD1 4.48Å; F51-L62 HydrophobicContact CE1-CB 4.2Å; F51-L62 HydrophobicContact CE1-CD1 4.06Å; F51-L62 HydrophobicContact CZ-CD1 4.15Å
52Y87.2Confident81.5Confident33 Ų3387.5 Ų87.513%0.12940%0.398CS..EExtended strand (participates in β ladder)trans-92.2123.8171.5178.7-102.9000109.7K42 F43 R61 Y100K42-Y52 HydrophobicContact CB-CD2 4.24Å; K42-Y52 HydrophobicContact CB-CE2 3.79Å; K42-Y52 HydrophobicContact CD-CE2 4.05Å; F43-Y52 HydrophobicContact CD1-CD2 4.09Å; F43-Y52 AromaticContact CE1-CD2 3.65Å; F43-Y52 HydrophobicContact CE1-CD2 3.65Å; F43-Y52 HydrophobicContact CE1-CG 4.3Å; F43-Y52 HydrophobicContact CE2-CD2 4.19Å; F43-Y52 AromaticContact CZ-CD2 3.71Å; F43-Y52 HydrophobicContact CZ-CD2 3.71Å; F43-Y52 HydrophobicContact CZ-CE2 4.31Å; Y52-R61 PolarHBondContact N-O 3.37Å; Y52-R61 PolarHBondContact O-N 3.37Å; Y52-Y100 AromaticContact CD1-CD2 3.62Å; Y52-Y100 HydrophobicContact CD1-CD2 3.62Å; Y52-Y100 AromaticContact CD1-CE2 3.94Å; Y52-Y100 HydrophobicContact CD1-CE2 3.94Å; Y52-Y100 HydrophobicContact CD1-CG 4.13Å; Y52-Y100 HydrophobicContact CD2-CD1 4.36Å; Y52-Y100 HydrophobicContact CD2-CD2 4.22Å; Y52-Y100 HydrophobicContact CD2-CE1 4.17Å; Y52-Y100 HydrophobicContact CD2-CE2 4.01Å; Y52-Y100 HydrophobicContact CD2-CG 4.39Å; Y52-Y100 AromaticContact CD2-CZ 3.98Å; Y52-Y100 HydrophobicContact CE1-CD2 4.06Å; Y52-Y100 AromaticContact CE1-CE2 3.97Å; Y52-Y100 HydrophobicContact CE1-CE2 3.97Å; Y52-Y100 HydrophobicContact CE2-CE2 4.05Å; Y52-Y100 HydrophobicContact CG-CD1 4.17Å; Y52-Y100 AromaticContact CG-CD2 3.71Å; Y52-Y100 HydrophobicContact CG-CD2 3.71Å; Y52-Y100 HydrophobicContact CG-CE1 4.4Å; Y52-Y100 AromaticContact CG-CE2 3.95Å; Y52-Y100 HydrophobicContact CG-CE2 3.95Å; Y52-Y100 AromaticContact CG-CG 3.82Å; Y52-Y100 HydrophobicContact CG-CG 3.82Å
53V85Confident81.6Confident14 Ų1485.5 Ų85.59%0.08539%0.39CS..  trans-108.6-1.6-175.4-62.90000115K42 V44 R57 Q59K42-V53 VanDerWaalsContact O-CG2 3.3Å; K42-V53 WeakPolarHBondContact O-CG2 3.38Å; K42-V53 PolarHBondContact O-N 2.82Å; V44-V53 HydrophobicContact CB-CG1 4.21Å; V44-V53 HydrophobicContact CG2-CG1 3.77Å; V44-V53 HydrophobicContact CG2-CG2 3.91Å; V53-R57 HydrophobicContact CG2-CG 4.27Å; V53-R57 WeakPolarHBondContact O-CA 3.45Å; V53-R57 PolarHBondContact O-N 2.86Å; V53-Q59 WeakPolarHBondContact CA-O 3.29Å
54G76.5Confident81.6Confident8 Ų885.9 Ų85.98%0.08239%0.392CS..THydrogen-bonded Turntrans67.8-169.7-179.100000113.9
55K67.9Low81.3Confident177 Ų17785.7 Ų85.777%0.7739%0.39SS*.THydrogen-bonded Turntrans-74.9-38.6177.5-77.1-175178.4179.60112
56D65.8Low81.1Confident132 Ų13284.4 Ų84.471%0.70639%0.389SS*.THydrogen-bonded Turntrans-95.63.8-171.8-50.4-34.2000113.3K58D56-K58 HydrophobicContact CB-CG 4.5Å; D56-K58 PolarHBondContact O-N 3.06Å
57R67.9Low81Confident199 Ų19982.5 Ų82.575%0.75138%0.383SS*.SBendtrans57.411.3-178.3-62.7-174.6176.3177.80.7116.2V53V53-R57 HydrophobicContact CG2-CG 4.27Å; V53-R57 WeakPolarHBondContact O-CA 3.45Å; V53-R57 PolarHBondContact O-N 2.86Å
58K68.5Low81.2Confident197 Ų19780.9 Ų80.986%0.85738%0.375SS*.  trans-86.7-16.7-179.9-68-176.6-179.6-178.10114.2D56D56-K58 HydrophobicContact CB-CG 4.5Å; D56-K58 PolarHBondContact O-N 3.06Å
59Q70.6Confident81.3Confident92 Ų9276.4 Ų76.443%0.4336%0.357SS..  trans-97.2147177.6-64.1-177.9-9.200108.7V53V53-Q59 WeakPolarHBondContact CA-O 3.29Å
60N83.9Confident81.4Confident99 Ų9971.1 Ų71.153%0.52933%0.334SS..  trans-138.592.6173.7-170.336.1000108.9F51F51-N60 VanDerWaalsContact CB-OD1 3.23Å; F51-N60 WeakPolarHBondContact CB-OD1 3.39Å; F51-N60 WeakPolarHBondContact CD1-OD1 3.3Å; F51-N60 WeakPolarHBondContact CG-OD1 3.49Å
61R87.9Confident81.4Confident42 Ų4273.9 Ų73.916%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-111.4131.5-174.6-57.9176-171.5-164.6-9.9110F51 Y52 V63 E96 N98F51-R61 CarbonylContact C-O 3.49Å; F51-R61 VanDerWaalsContact CA-O 3.26Å; F51-R61 WeakPolarHBondContact CA-O 3.29Å; Y52-R61 PolarHBondContact N-O 3.37Å; Y52-R61 PolarHBondContact O-N 3.37Å; R61-V63 PolarHBondContact O-N 3.48Å; R61-E96 WeakPolarHBondContact CD-O 3.46Å; R61-E96 PolarHBondContact NE-O 2.96Å; R61-E96 PolarHBondContact NH1-O 3.45Å; R61-E96 PolarHBondContact NH2-O 3.39Å; R61-N98 CarbonylContact C-O 3.47Å; R61-N98 WeakPolarHBondContact CA-O 3.35Å
62L88.3Confident81.4Confident34 Ų3478.5 Ų78.518%0.17837%0.366CS..EExtended strand (participates in β ladder)trans-68.3127.2177.7178.462000110.4K49 F51 I64 N98 Y99 Y100K49-L62 HydrophobicContact CB-CD1 3.79Å; K49-L62 HydrophobicContact CD-CD1 3.82Å; K49-L62 HydrophobicContact CG-CD1 4.17Å; F51-L62 HydrophobicContact CD1-CB 4.42Å; F51-L62 HydrophobicContact CD1-CD1 4.48Å; F51-L62 HydrophobicContact CE1-CB 4.2Å; F51-L62 HydrophobicContact CE1-CD1 4.06Å; F51-L62 HydrophobicContact CZ-CD1 4.15Å; L62-I64 HydrophobicContact CD2-CD1 3.93Å; L62-I64 HydrophobicContact CG-CD1 4.01Å; L62-N98 PolarHBondContact N-O 2.94Å; L62-Y99 HydrophobicContact CB-CD1 4.09Å; L62-Y99 HydrophobicContact CD2-CD1 4.31Å; L62-Y99 HydrophobicContact CD2-CE1 4.14Å; L62-Y99 HydrophobicContact CG-CD1 4.5Å; L62-Y99 CarbonylContact O-C 3.55Å; L62-Y99 VanDerWaalsContact O-CA 3.23Å; L62-Y99 WeakPolarHBondContact O-CA 3.03Å; L62-Y100 PolarHBondContact O-N 3.21Å
63V87.9Confident81.6Confident11 Ų1177.4 Ų77.47%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-82.1121.9177.2-177.70000109.7L12 F43 L50 R61 V65 Y100L12-V63 HydrophobicContact CB-CG1 4.46Å; L12-V63 HydrophobicContact CD1-CG1 3.9Å; L12-V63 HydrophobicContact CD2-CG1 4.06Å; L12-V63 HydrophobicContact CG-CG1 4.37Å; F43-V63 HydrophobicContact CD1-CG2 3.82Å; F43-V63 HydrophobicContact CE1-CG2 3.76Å; L50-V63 HydrophobicContact CB-CB 4.08Å; L50-V63 HydrophobicContact CB-CG2 4.27Å; L50-V63 HydrophobicContact CD2-CB 4.16Å; L50-V63 HydrophobicContact CD2-CG1 4.15Å; L50-V63 HydrophobicContact CD2-CG2 4.04Å; L50-V63 HydrophobicContact CG-CB 4.22Å; L50-V63 HydrophobicContact CG-CG2 3.95Å; L50-V63 VanDerWaalsContact O-CB 3.31Å; L50-V63 WeakPolarHBondContact O-CB 3.37Å; L50-V63 WeakPolarHBondContact O-CG2 3.3Å; L50-V63 PolarHBondContact O-N 2.85Å; R61-V63 PolarHBondContact O-N 3.48Å; V63-V65 HydrophobicContact CG1-CG2 4.13Å; V63-Y100 VanDerWaalsContact CA-O 3.28Å; V63-Y100 WeakPolarHBondContact CA-O 3.4Å; V63-Y100 HydrophobicContact CG1-CD1 4.47Å; V63-Y100 HydrophobicContact CG2-CD1 4.1Å
64I87.8Confident81.8Confident8 Ų877 Ų774%0.04136%0.36CS..PPolyproline II helixtrans-100.2136.9175.8-55.3-58.5000109L62 E69 K70 V73 Y99 Y100 W101L62-I64 HydrophobicContact CD2-CD1 3.93Å; L62-I64 HydrophobicContact CG-CD1 4.01Å; I64-E69 HydrophobicContact CG2-CB 3.45Å; I64-E69 VanDerWaalsContact CG2-CB 3.45Å; I64-K70 HydrophobicContact CG2-CB 4.49Å; I64-K70 HydrophobicContact CG2-CG 3.78Å; I64-V73 HydrophobicContact CD1-CG2 4.5Å; I64-V73 HydrophobicContact CG1-CG2 4.42Å; I64-Y99 HydrophobicContact CD1-CD1 3.88Å; I64-Y99 HydrophobicContact CD1-CE1 4.32Å; I64-Y99 HydrophobicContact CG1-CD1 3.82Å; I64-Y99 HydrophobicContact CG1-CG 4.45Å; I64-Y100 PolarHBondContact N-O 3.43Å; I64-W101 HydrophobicContact CB-CE3 4.06Å; I64-W101 HydrophobicContact CG1-CE3 4.32Å; I64-W101 HydrophobicContact CG1-CZ3 4.43Å
65V80.9Confident82.4Confident42 Ų4282.9 Ų82.926%0.25538%0.379SS..  trans-126.9-31.8-172.9-177.70000112.5L12 K13 V63L12-V65 HydrophobicContact CB-CG2 4.26Å; K13-V65 HydrophobicContact CD-CG1 4.11Å; K13-V65 VanDerWaalsContact CE-CG1 3.43Å; K13-V65 HydrophobicContact CG-CG1 3.51Å; V63-V65 HydrophobicContact CG1-CG2 4.13Å
66S84.8Confident83.4Confident37 Ų3779.3 Ų79.326%0.25937%0.366SS..  trans-83.5141.8177.2139.50000110.8E68 E69 K70S66-E68 VanDerWaalsContact C-N 3.28Å; S66-E68 PolarHBondContact O-N 3.3Å; S66-E68 PolarHBondContact OG-N 2.84Å; S66-E68 PolarHBondContact OG-OE2 2.81Å; S66-E69 PolarHBondContact O-N 3.35Å; S66-E69 PolarHBondContact OG-N 3.36Å; S66-K70 WeakPolarHBondContact O-CG 3.23Å; S66-K70 PolarHBondContact O-N 3.04Å
67E81.9Confident84.5Confident85 Ų8573.7 Ų73.740%0.39734%0.336SS..Hα-helixtrans-63.4-37.2175.6-69.4-52.1120.700111.4E69 K70 K71E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 2.81Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 2.96Å; E67-K70 WeakPolarHBondContact OE1-CD 3.49Å; E67-K70 VanDerWaalsContact OE1-CE 3.3Å; E67-K70 WeakPolarHBondContact OE1-CE 3.28Å; E67-K70 IonicContact OE1-NZ 3.93Å; E67-K70 PolarHBondContact OE1-NZ 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.08Å
68E85.9Confident85.5Confident140 Ų14064.2 Ų64.265%0.65430%0.3SS*.Hα-helixtrans-61.7-43.3177.1-58.173.1-157.500111.2S66 K71 K72S66-E68 VanDerWaalsContact C-N 3.28Å; S66-E68 PolarHBondContact O-N 3.3Å; S66-E68 PolarHBondContact OG-N 2.84Å; S66-E68 PolarHBondContact OG-OE2 2.81Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-K72 PolarHBondContact O-N 3.41Å
69E86Confident86.5Confident100 Ų10057.8 Ų57.847%0.46727%0.273SS..Hα-helixtrans-66.3-40.6174.4-67.6-179.8143.700111.7I64 S66 E67 K72 V73I64-E69 HydrophobicContact CG2-CB 3.45Å; I64-E69 VanDerWaalsContact CG2-CB 3.45Å; S66-E69 PolarHBondContact O-N 3.35Å; S66-E69 PolarHBondContact OG-N 3.36Å; E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 2.81Å; E69-K72 PolarHBondContact O-N 2.93Å; E69-V73 WeakPolarHBondContact O-CG2 3.1Å; E69-V73 PolarHBondContact O-N 3.38Å
70K88.4Confident86.8Confident4 Ų455.9 Ų55.92%0.01727%0.266CS..Hα-helixtrans-58-49.8174.6-70.8177.8-170.3172.80110.1D9 I64 S66 E67 K72 V73 L74 W101D9-K70 IonicContact OD1-NZ 2.66Å; D9-K70 PolarHBondContact OD1-NZ 3.18Å; I64-K70 HydrophobicContact CG2-CB 4.49Å; I64-K70 HydrophobicContact CG2-CG 3.78Å; S66-K70 WeakPolarHBondContact O-CG 3.23Å; S66-K70 PolarHBondContact O-N 3.04Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 2.96Å; E67-K70 WeakPolarHBondContact OE1-CD 3.49Å; E67-K70 VanDerWaalsContact OE1-CE 3.3Å; E67-K70 WeakPolarHBondContact OE1-CE 3.28Å; E67-K70 IonicContact OE1-NZ 3.93Å; E67-K70 PolarHBondContact OE1-NZ 3.45Å; K70-K72 VanDerWaalsContact C-N 3.33Å; K70-K72 PolarHBondContact O-N 3.39Å; K70-V73 PolarHBondContact O-N 3.24Å; K70-L74 WeakPolarHBondContact O-CB 3.5Å; K70-L74 WeakPolarHBondContact O-CG 3.47Å; K70-L74 PolarHBondContact O-N 3.22Å; K70-W101 HydrophobicContact CD-CG 4.38Å; K70-W101 HydrophobicContact CG-CD2 4.29Å
71K87.8Confident86.2Confident66 Ų6659.8 Ų59.829%0.28729%0.287SS..Hα-helixtrans-59.8-41.6178.3-69.6-169-176.9-149.20112.3E67 E68 L74 R75 W111 E427 S429E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.08Å; E68-K71 PolarHBondContact O-N 3.19Å; K71-L74 PolarHBondContact O-N 3.43Å; K71-R75 WeakPolarHBondContact O-CB 3.36Å; K71-R75 PolarHBondContact O-N 3.1Å; K71-W111 HydrophobicContact CB-CH2 4.1Å; K71-W111 HydrophobicContact CB-CZ3 3.98Å; K71-W111 HydrophobicContact CD-CZ3 4.29Å; K71-W111 HydrophobicContact CG-CH2 4.41Å; K71-W111 HydrophobicContact CG-CZ3 3.83Å; K71-E427 VanDerWaalsContact CE-OE1 3.28Å; K71-E427 WeakPolarHBondContact CE-OE1 3.49Å; K71-E427 IonicContact NZ-OE1 3.34Å; K71-E427 PolarHBondContact NZ-OE1 3.31Å; K71-S429 PolarHBondContact NZ-OG 2.97Å
72K88.9Confident85.1Confident129 Ų12963 Ų6356%0.56132%0.316SS*.Hα-helixtrans-61.1-50176.6-177.6175.8174.3177.20111.5E68 E69 K70 L74 R75 E76E68-K72 PolarHBondContact O-N 3.41Å; E69-K72 PolarHBondContact O-N 2.93Å; K70-K72 VanDerWaalsContact C-N 3.33Å; K70-K72 PolarHBondContact O-N 3.39Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 3.42Å; K72-R75 PolarHBondContact O-N 3.48Å; K72-E76 WeakPolarHBondContact CE-OE1 3.22Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.32Å
73V90.4Very high84.1Confident9 Ų964 Ų646%0.05534%0.335CS..Hα-helixtrans-61.5-42.7177.8169.60000111.5I64 E69 K70 E76 C77 V95 Y99 W101I64-V73 HydrophobicContact CD1-CG2 4.5Å; I64-V73 HydrophobicContact CG1-CG2 4.42Å; E69-V73 WeakPolarHBondContact O-CG2 3.1Å; E69-V73 PolarHBondContact O-N 3.38Å; K70-V73 PolarHBondContact O-N 3.24Å; V73-E76 PolarHBondContact O-N 3.46Å; V73-C77 VanDerWaalsContact O-CB 3.32Å; V73-C77 WeakPolarHBondContact O-CB 3.31Å; V73-C77 PolarHBondContact O-N 2.69Å; V73-C77 PolarHBondContact O-SG 3.15Å; V73-V95 HydrophobicContact CG1-CG2 4.36Å; V73-Y99 HydrophobicContact CG1-CD1 4.3Å; V73-Y99 HydrophobicContact CG1-CD2 3.45Å; V73-Y99 VanDerWaalsContact CG1-CD2 3.45Å; V73-Y99 HydrophobicContact CG1-CE1 4.45Å; V73-Y99 HydrophobicContact CG1-CE2 3.65Å; V73-Y99 HydrophobicContact CG1-CG 3.81Å; V73-Y99 HydrophobicContact CG2-CD1 4.04Å; V73-Y99 HydrophobicContact CG2-CD2 4.5Å; V73-Y99 HydrophobicContact CG2-CE1 3.78Å; V73-Y99 HydrophobicContact CG2-CE2 4.28Å; V73-Y99 HydrophobicContact CG2-CG 4.39Å; V73-W101 HydrophobicContact CG1-CH2 4.19Å; V73-W101 HydrophobicContact CG1-CZ3 4.2Å
74L90.3Very high83.5Confident6 Ų665.8 Ų65.83%0.03135%0.35CS..Hα-helixtrans-62.3-43.3177.9-73.3170.3000111.6K70 K71 K72 H78 V95 W101 D107 V108 W111K70-L74 WeakPolarHBondContact O-CB 3.5Å; K70-L74 WeakPolarHBondContact O-CG 3.47Å; K70-L74 PolarHBondContact O-N 3.22Å; K71-L74 PolarHBondContact O-N 3.43Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 3.42Å; L74-H78 WeakPolarHBondContact O-CB 3.43Å; L74-H78 PolarHBondContact O-N 3.38Å; L74-V95 HydrophobicContact CD2-CG2 4.49Å; L74-W101 HydrophobicContact CD2-CH2 4.35Å; L74-W101 HydrophobicContact CD2-CZ2 4.15Å; L74-W101 HydrophobicContact CG-CH2 4.5Å; L74-W101 HydrophobicContact CG-CZ2 4.38Å; L74-D107 HydrophobicContact CD1-CB 4.18Å; L74-V108 HydrophobicContact CD2-CB 4.27Å; L74-V108 HydrophobicContact CD2-CG2 3.49Å; L74-V108 VanDerWaalsContact CD2-CG2 3.49Å; L74-W111 HydrophobicContact CB-CD2 3.66Å; L74-W111 HydrophobicContact CB-CE3 4.05Å; L74-W111 HydrophobicContact CB-CG 3.87Å; L74-W111 HydrophobicContact CB-CZ2 4.45Å; L74-W111 HydrophobicContact CD1-CB 4.27Å; L74-W111 HydrophobicContact CD1-CD2 4.18Å; L74-W111 HydrophobicContact CD1-CE3 3.93Å; L74-W111 HydrophobicContact CD1-CG 4.35Å; L74-W111 HydrophobicContact CD2-CB 4.48Å
75R89.2Confident83.4Confident131 Ų13168.1 Ų68.149%0.49436%0.361SS..Hα-helixtrans-59.2-56.1173.8-169.7-170.5-58.3-93.2-0.8111.2K71 K72 C77 H78 E79 W111K71-R75 WeakPolarHBondContact O-CB 3.36Å; K71-R75 PolarHBondContact O-N 3.1Å; K72-R75 PolarHBondContact O-N 3.48Å; R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.96Å; R75-H78 PolarHBondContact O-N 2.79Å; R75-H78 VanDerWaalsContact O-N 3.12Å; R75-E79 WeakPolarHBondContact CG-OE2 3Å; R75-E79 WeakPolarHBondContact O-CB 3.32Å; R75-E79 PolarHBondContact O-N 3.17Å; R75-W111 HydrophobicContact CB-CZ2 3.81Å; R75-W111 HydrophobicContact CG-CZ2 4.43Å
76E88.8Confident83.6Confident103 Ų10368.2 Ų68.248%0.48136%0.359SS..Hα-helixtrans-60.9-34.2-177.9-70.4172.4-179.500113.2K72 V73K72-E76 WeakPolarHBondContact CE-OE1 3.22Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.32Å; V73-E76 PolarHBondContact O-N 3.46Å
77C88.2Confident83.5Confident13 Ų1368.6 Ų68.69%0.08837%0.368CS..Hα-helixtrans-81.9-25.4178.1-670000112.9V73 R75 H86 T91 L94 V95V73-C77 VanDerWaalsContact O-CB 3.32Å; V73-C77 WeakPolarHBondContact O-CB 3.31Å; V73-C77 PolarHBondContact O-N 2.69Å; V73-C77 PolarHBondContact O-SG 3.15Å; R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.96Å; C77-H86 PolarHBondContact O-ND1 2.78Å; C77-H86 VanDerWaalsContact O-ND1 3.08Å; C77-T91 HydrophobicContact CB-CG2 4.1Å; C77-L94 HydrophobicContact CB-CB 4.12Å; C77-L94 WeakPolarHBondContact O-CD1 3.48Å; C77-V95 HydrophobicContact CB-CG2 3.67Å
78H89.8Confident83.7Confident0 Ų066.7 Ų66.70%036%0.36CS..Hα-helixtrans-85.1-44.9179.3179.354.8000111.9L74 R75 H85 H86 T91 W111 C115 C118L74-H78 WeakPolarHBondContact O-CB 3.43Å; L74-H78 PolarHBondContact O-N 3.38Å; R75-H78 PolarHBondContact O-N 2.79Å; R75-H78 VanDerWaalsContact O-N 3.12Å; H78-H85 AromaticContact CD2-ND1 3.44Å; H78-H85 PolarHBondContact CD2-ND1 2.74Å; H78-H85 AromaticContact CE1-ND1 3.81Å; H78-H85 AromaticContact NE2-CE1 3.99Å; H78-H85 AromaticContact NE2-CG 3.77Å; H78-H85 AromaticContact NE2-ND1 2.94Å; H78-H85 PolarHBondContact NE2-ND1 3.18Å; H78-H85 CarbonylContact O-C 3.44Å; H78-H85 WeakPolarHBondContact O-CA 3.3Å; H78-H86 PolarHBondContact CE1-O 3.29Å; H78-H86 PolarHBondContact ND1-O 2.76Å; H78-H86 PolarHBondContact O-N 3.36Å; H78-T91 HydrophobicContact CB-CG2 4.12Å; H78-W111 AromaticContact CD2-CD1 3.96Å; H78-W111 AromaticContact CD2-NE1 3.81Å; H78-W111 AromaticContact CG-CD1 3.91Å; H78-W111 AromaticContact CG-NE1 3.99Å; H78-C115 PolarHBondContact NE2-SG 3.12Å; H78-C118 PolarHBondContact CE1-SG 3.47Å
79E88.7Confident83.6Confident62 Ų6264.5 Ų64.529%0.2936%0.361SS..BIsolated β-bridgetrans-102.6115.1-179.8-66.5168.1-168.100108.1R75 H85R75-E79 WeakPolarHBondContact CG-OE2 3Å; R75-E79 WeakPolarHBondContact O-CB 3.32Å; R75-E79 PolarHBondContact O-N 3.17Å; E79-H85 VanDerWaalsContact CG-CE1 3.49Å; E79-H85 WeakPolarHBondContact CG-CE1 3.38Å; E79-H85 IonicContact OE1-CE1 2.92Å; E79-H85 PolarHBondContact OE1-CE1 3.19Å
80N77.6Confident83.5Confident53 Ų5366.2 Ų66.228%0.28336%0.363SS..  trans-80165.5172.974.510.9000111.3S82 G83 A84N80-S82 PolarHBondContact O-N 3.42Å; N80-S82 WeakPolarHBondContact OD1-CA 3.25Å; N80-S82 WeakPolarHBondContact OD1-CB 3.46Å; N80-S82 PolarHBondContact OD1-N 3.41Å; N80-S82 VanDerWaalsContact OD1-N 3.08Å; N80-G83 PolarHBondContact O-N 2.89Å; N80-G83 PolarHBondContact OD1-N 3.06Å; N80-G83 VanDerWaalsContact OD1-N 3.13Å; N80-A84 PolarHBondContact N-O 2.75Å; N80-A84 WeakPolarHBondContact ND2-CB 3.4Å; N80-A84 WeakPolarHBondContact OD1-CA 3.39Å; N80-A84 WeakPolarHBondContact OD1-CB 3.19Å; N80-A84 PolarHBondContact OD1-N 2.96Å
81D71.4Confident83.5Confident180 Ų18066 Ų6696%0.96336%0.362SS*.THydrogen-bonded Turntrans-58.6-17.5179.8-59.9-33.1000113.8
82S64.4Low83.6Confident111 Ų11164.5 Ų64.578%0.77636%0.357SS*.THydrogen-bonded Turntrans-903.4175.9-49.70000113.6N80 A84N80-S82 PolarHBondContact O-N 3.42Å; N80-S82 WeakPolarHBondContact OD1-CA 3.25Å; N80-S82 WeakPolarHBondContact OD1-CB 3.46Å; N80-S82 PolarHBondContact OD1-N 3.41Å; N80-S82 VanDerWaalsContact OD1-N 3.08Å; S82-A84 VanDerWaalsContact C-N 3.35Å
83G66.6Low83.4Confident55 Ų5561.9 Ų61.957%0.56735%0.352SS*.SBendtrans77.612.5-179.100000115N80N80-G83 PolarHBondContact O-N 2.89Å; N80-G83 PolarHBondContact OD1-N 3.06Å; N80-G83 VanDerWaalsContact OD1-N 3.13Å
84A75.7Confident83.3Confident47 Ų4763.4 Ų63.439%0.38836%0.36SS..PPolyproline II helixtrans-85.4133.5175.400000111.1N80 S82N80-A84 PolarHBondContact N-O 2.75Å; N80-A84 WeakPolarHBondContact ND2-CB 3.4Å; N80-A84 WeakPolarHBondContact OD1-CA 3.39Å; N80-A84 WeakPolarHBondContact OD1-CB 3.19Å; N80-A84 PolarHBondContact OD1-N 2.96Å; S82-A84 VanDerWaalsContact C-N 3.35Å
85H86.6Confident83.3Confident58 Ų5863.1 Ų63.127%0.26936%0.358SS..BIsolated β-bridgetrans-92.6121.3178.3-71.7-109.1000111.4H78 E79 C115 H117 C118H78-H85 AromaticContact CD2-ND1 3.44Å; H78-H85 PolarHBondContact CD2-ND1 2.74Å; H78-H85 AromaticContact CE1-ND1 3.81Å; H78-H85 AromaticContact NE2-CE1 3.99Å; H78-H85 AromaticContact NE2-CG 3.77Å; H78-H85 AromaticContact NE2-ND1 2.94Å; H78-H85 PolarHBondContact NE2-ND1 3.18Å; H78-H85 CarbonylContact O-C 3.44Å; H78-H85 WeakPolarHBondContact O-CA 3.3Å; E79-H85 VanDerWaalsContact CG-CE1 3.49Å; E79-H85 WeakPolarHBondContact CG-CE1 3.38Å; E79-H85 IonicContact OE1-CE1 2.92Å; E79-H85 PolarHBondContact OE1-CE1 3.19Å; H85-C115 VanDerWaalsContact CE1-SG 3.57Å; H85-C115 PolarHBondContact ND1-SG 2.77Å; H85-H117 AromaticContact CE1-CD2 3.76Å; H85-H117 AromaticContact NE2-CD2 3.63Å; H85-H117 AromaticContact NE2-CG 3.72Å; H85-C118 VanDerWaalsContact CB-SG 3.6Å
86H85.3Confident83.2Confident44 Ų4460 Ų6020%0.20435%0.349CS..PPolyproline II helixtrans-79.9140.1177.4-67.4153000112.3C77 H78 R90 T91 L94C77-H86 PolarHBondContact O-ND1 2.78Å; C77-H86 VanDerWaalsContact O-ND1 3.08Å; H78-H86 PolarHBondContact CE1-O 3.29Å; H78-H86 PolarHBondContact ND1-O 2.76Å; H78-H86 PolarHBondContact O-N 3.36Å; H86-R90 HydrophobicContact CB-CB 4.12Å; H86-R90 HydrophobicContact CB-CG 4.07Å; H86-T91 WeakPolarHBondContact CB-OG1 3.43Å; H86-T91 PolarHBondContact O-OG1 2.77Å; H86-L94 WeakPolarHBondContact ND1-CD1 3.42Å
87G81.9Confident83.1Confident45 Ų4558 Ų5846%0.46435%0.347SS..PPolyproline II helixtrans-71.3164.4169.800000113S89 R90 T91G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.41Å; G87-S89 VanDerWaalsContact O-N 3.08Å; G87-R90 PolarHBondContact O-N 3.08Å; G87-T91 PolarHBondContact O-N 2.85Å; G87-T91 VanDerWaalsContact O-N 3.08Å; G87-T91 PolarHBondContact O-OG1 3.04Å
88I85.4Confident83.1Confident44 Ų4461.6 Ų61.623%0.22637%0.365CS..Hα-helixtrans-45.1-48.1-174-58.2174.1000113.1R90 L92 V108 K109 V112 Y113I88-R90 VanDerWaalsContact C-N 3.35Å; I88-R90 PolarHBondContact O-N 2.97Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 PolarHBondContact O-N 2.78Å; I88-V108 HydrophobicContact CG2-CG1 4.35Å; I88-K109 HydrophobicContact CD1-CG 4.28Å; I88-K109 HydrophobicContact CG2-CG 3.84Å; I88-V112 HydrophobicContact CG1-CB 3.84Å; I88-V112 HydrophobicContact CG1-CG1 3.72Å; I88-V112 HydrophobicContact CG1-CG2 4.21Å; I88-Y113 HydrophobicContact CD1-CE1 4Å; I88-Y113 HydrophobicContact CD1-CE2 4.17Å
89S83.7Confident83.1Confident95 Ų9564 Ų6466%0.66437%0.374SS*.Hα-helixtrans-62.6-40.5-176.5-1680000112.7G87 T93G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.41Å; G87-S89 VanDerWaalsContact O-N 3.08Å; S89-T93 PolarHBondContact O-N 3.02Å; S89-T93 VanDerWaalsContact O-N 3.17Å; S89-T93 PolarHBondContact O-OG1 3.29Å
90R84.8Confident83.1Confident135 Ų13563.2 Ų63.251%0.50937%0.369SS..Hα-helixtrans-75.7-45.5-177.4-179.260.8174156.60110.4H86 G87 I88 L92 T93 L94H86-R90 HydrophobicContact CB-CB 4.12Å; H86-R90 HydrophobicContact CB-CG 4.07Å; G87-R90 PolarHBondContact O-N 3.08Å; I88-R90 VanDerWaalsContact C-N 3.35Å; I88-R90 PolarHBondContact O-N 2.97Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 2.79Å; R90-T93 PolarHBondContact O-N 3.13Å; R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.08Å
91T87.9Confident83.6Confident0 Ų061 Ų610%036%0.356CS..Hα-helixtrans-58.1-45.1174.8-52.80000111C77 H78 H86 G87 T93 L94 V95 V108C77-T91 HydrophobicContact CB-CG2 4.1Å; H78-T91 HydrophobicContact CB-CG2 4.12Å; H86-T91 WeakPolarHBondContact CB-OG1 3.43Å; H86-T91 PolarHBondContact O-OG1 2.77Å; G87-T91 PolarHBondContact O-N 2.85Å; G87-T91 VanDerWaalsContact O-N 3.08Å; G87-T91 PolarHBondContact O-OG1 3.04Å; T91-T93 VanDerWaalsContact C-N 3.32Å; T91-T93 PolarHBondContact O-N 3.08Å; T91-L94 PolarHBondContact O-N 3.11Å; T91-V95 HydrophobicContact CG2-CG2 4.38Å; T91-V95 VanDerWaalsContact O-CG2 3.3Å; T91-V95 WeakPolarHBondContact O-CG2 3.49Å; T91-V95 PolarHBondContact O-N 2.95Å; T91-V108 HydrophobicContact CG2-CG1 3.82Å; T91-V108 HydrophobicContact CG2-CG2 4.44Å
92L89.1Confident84.1Confident35 Ų3555 Ų5518%0.18333%0.326CS..Hα-helixtrans-60.3-42.5177.5-175.462.9000112I88 R90 L94 V95 E96 V104 T105 V108I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 PolarHBondContact O-N 2.78Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 2.79Å; L92-L94 PolarHBondContact O-N 2.86Å; L92-V95 PolarHBondContact O-N 3.12Å; L92-E96 HydrophobicContact CD1-CG 4.01Å; L92-E96 WeakPolarHBondContact CD1-OE1 3.21Å; L92-E96 HydrophobicContact CG-CG 4.33Å; L92-E96 VanDerWaalsContact O-CB 3.29Å; L92-E96 WeakPolarHBondContact O-CB 3.4Å; L92-E96 WeakPolarHBondContact O-CG 2.86Å; L92-E96 PolarHBondContact O-N 2.94Å; L92-V104 HydrophobicContact CD1-CG1 3.69Å; L92-T105 HydrophobicContact CD2-CG2 4.19Å; L92-V108 HydrophobicContact CB-CG1 4.21Å; L92-V108 HydrophobicContact CD1-CB 4.48Å; L92-V108 HydrophobicContact CD1-CG2 4.26Å
93T86.4Confident85Confident74 Ų7451.3 Ų51.345%0.45430%0.301SS..Hα-helixtrans-62.6-42.6178.3-56.30000111.8S89 R90 T91 S97S89-T93 PolarHBondContact O-N 3.02Å; S89-T93 VanDerWaalsContact O-N 3.17Å; S89-T93 PolarHBondContact O-OG1 3.29Å; R90-T93 PolarHBondContact O-N 3.13Å; T91-T93 VanDerWaalsContact C-N 3.32Å; T91-T93 PolarHBondContact O-N 3.08Å; T93-S97 WeakPolarHBondContact O-CB 3.4Å; T93-S97 PolarHBondContact O-N 3.32Å; T93-S97 PolarHBondContact O-OG 3.3Å
94L88.3Confident85.9Confident41 Ų4149.1 Ų49.122%0.21528%0.277CS..Hα-helixtrans-68.6-39.5179.1-69.2170.6000112.4C77 H86 R90 T91 L92 S97C77-L94 HydrophobicContact CB-CB 4.12Å; C77-L94 WeakPolarHBondContact O-CD1 3.48Å; H86-L94 WeakPolarHBondContact ND1-CD1 3.42Å; R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.08Å; T91-L94 PolarHBondContact O-N 3.11Å; L92-L94 PolarHBondContact O-N 2.86Å; L94-S97 PolarHBondContact O-OG 2.92Å
95V89.5Confident86.3Confident0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-66.6-49.3175.5173.70000109.8V73 L74 C77 T91 L92 S97 N98 Y99 W101 V104 V108V73-V95 HydrophobicContact CG1-CG2 4.36Å; L74-V95 HydrophobicContact CD2-CG2 4.49Å; C77-V95 HydrophobicContact CB-CG2 3.67Å; T91-V95 HydrophobicContact CG2-CG2 4.38Å; T91-V95 VanDerWaalsContact O-CG2 3.3Å; T91-V95 WeakPolarHBondContact O-CG2 3.49Å; T91-V95 PolarHBondContact O-N 2.95Å; L92-V95 PolarHBondContact O-N 3.12Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 2.99Å; V95-N98 PolarHBondContact O-N 3.46Å; V95-Y99 WeakPolarHBondContact O-CA 3.49Å; V95-Y99 WeakPolarHBondContact O-CB 3.38Å; V95-Y99 PolarHBondContact O-N 3.29Å; V95-W101 HydrophobicContact CG1-CH2 3.24Å; V95-W101 HydrophobicContact CG1-CZ2 4.08Å; V95-W101 HydrophobicContact CG1-CZ3 3.54Å; V95-V104 HydrophobicContact CB-CG1 4.4Å; V95-V104 HydrophobicContact CG1-CG1 3.61Å; V95-V104 HydrophobicContact CG1-CG2 4.46Å; V95-V108 HydrophobicContact CB-CG2 4.44Å; V95-V108 HydrophobicContact CG2-CG2 4.1Å
96E87.9Confident86Confident65 Ų6551.1 Ų51.130%0.30429%0.285SS..Hα-helixtrans-70.2-18.9-178.1-72.4-173.7173.400113.6R61 L92 N98 V104R61-E96 WeakPolarHBondContact CD-O 3.46Å; R61-E96 PolarHBondContact NE-O 2.96Å; R61-E96 PolarHBondContact NH1-O 3.45Å; R61-E96 PolarHBondContact NH2-O 3.39Å; L92-E96 HydrophobicContact CD1-CG 4.01Å; L92-E96 WeakPolarHBondContact CD1-OE1 3.21Å; L92-E96 HydrophobicContact CG-CG 4.33Å; L92-E96 VanDerWaalsContact O-CB 3.29Å; L92-E96 WeakPolarHBondContact O-CB 3.4Å; L92-E96 WeakPolarHBondContact O-CG 2.86Å; L92-E96 PolarHBondContact O-N 2.94Å; E96-N98 VanDerWaalsContact C-N 3.34Å; E96-V104 HydrophobicContact CG-CG1 4.04Å
97S85.9Confident86Confident62 Ų6250.6 Ų50.643%0.43428%0.284SS..Hα-helixtrans-69.5-34174.455.70000112.4T93 L94 V95T93-S97 WeakPolarHBondContact O-CB 3.4Å; T93-S97 PolarHBondContact O-N 3.32Å; T93-S97 PolarHBondContact O-OG 3.3Å; L94-S97 PolarHBondContact O-OG 2.92Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 2.99Å
98N87.3Confident86.3Confident88 Ų8848.5 Ų48.547%0.47126%0.262SS..Hα-helixtrans-120.3-23-168.2-61.3-52.1000114.2R61 L62 V95 E96R61-N98 CarbonylContact C-O 3.47Å; R61-N98 WeakPolarHBondContact CA-O 3.35Å; L62-N98 PolarHBondContact N-O 2.94Å; V95-N98 PolarHBondContact O-N 3.46Å; E96-N98 VanDerWaalsContact C-N 3.34Å
99Y90.4Very high86.1Confident51 Ų5150.8 Ų50.820%0.227%0.27CS..EExtended strand (participates in β ladder)trans-130.1161.4-169.6-53.1-82000113.1L62 I64 V73 V95L62-Y99 HydrophobicContact CB-CD1 4.09Å; L62-Y99 HydrophobicContact CD2-CD1 4.31Å; L62-Y99 HydrophobicContact CD2-CE1 4.14Å; L62-Y99 HydrophobicContact CG-CD1 4.5Å; L62-Y99 CarbonylContact O-C 3.55Å; L62-Y99 VanDerWaalsContact O-CA 3.23Å; L62-Y99 WeakPolarHBondContact O-CA 3.03Å; I64-Y99 HydrophobicContact CD1-CD1 3.88Å; I64-Y99 HydrophobicContact CD1-CE1 4.32Å; I64-Y99 HydrophobicContact CG1-CD1 3.82Å; I64-Y99 HydrophobicContact CG1-CG 4.45Å; V73-Y99 HydrophobicContact CG1-CD1 4.3Å; V73-Y99 HydrophobicContact CG1-CD2 3.45Å; V73-Y99 VanDerWaalsContact CG1-CD2 3.45Å; V73-Y99 HydrophobicContact CG1-CE1 4.45Å; V73-Y99 HydrophobicContact CG1-CE2 3.65Å; V73-Y99 HydrophobicContact CG1-CG 3.81Å; V73-Y99 HydrophobicContact CG2-CD1 4.04Å; V73-Y99 HydrophobicContact CG2-CD2 4.5Å; V73-Y99 HydrophobicContact CG2-CE1 3.78Å; V73-Y99 HydrophobicContact CG2-CE2 4.28Å; V73-Y99 HydrophobicContact CG2-CG 4.39Å; V95-Y99 WeakPolarHBondContact O-CA 3.49Å; V95-Y99 WeakPolarHBondContact O-CB 3.38Å; V95-Y99 PolarHBondContact O-N 3.29Å
100Y88Confident86.1Confident45 Ų4548.8 Ų48.818%0.17625%0.25CS..EExtended strand (participates in β ladder)trans-147.2131.1178.2-179.9-87.9000111.8L12 F43 Y52 L62 V63 I64L12-Y100 HydrophobicContact CD2-CE1 4.16Å; F43-Y100 HydrophobicContact CE1-CD1 4.03Å; F43-Y100 AromaticContact CE1-CE1 3.83Å; F43-Y100 HydrophobicContact CE1-CE1 3.83Å; F43-Y100 HydrophobicContact CZ-CD1 4.46Å; F43-Y100 AromaticContact CZ-CE1 3.79Å; F43-Y100 HydrophobicContact CZ-CE1 3.79Å; Y52-Y100 AromaticContact CD1-CD2 3.62Å; Y52-Y100 HydrophobicContact CD1-CD2 3.62Å; Y52-Y100 AromaticContact CD1-CE2 3.94Å; Y52-Y100 HydrophobicContact CD1-CE2 3.94Å; Y52-Y100 HydrophobicContact CD1-CG 4.13Å; Y52-Y100 HydrophobicContact CD2-CD1 4.36Å; Y52-Y100 HydrophobicContact CD2-CD2 4.22Å; Y52-Y100 HydrophobicContact CD2-CE1 4.17Å; Y52-Y100 HydrophobicContact CD2-CE2 4.01Å; Y52-Y100 HydrophobicContact CD2-CG 4.39Å; Y52-Y100 AromaticContact CD2-CZ 3.98Å; Y52-Y100 HydrophobicContact CE1-CD2 4.06Å; Y52-Y100 AromaticContact CE1-CE2 3.97Å; Y52-Y100 HydrophobicContact CE1-CE2 3.97Å; Y52-Y100 HydrophobicContact CE2-CE2 4.05Å; Y52-Y100 HydrophobicContact CG-CD1 4.17Å; Y52-Y100 AromaticContact CG-CD2 3.71Å; Y52-Y100 HydrophobicContact CG-CD2 3.71Å; Y52-Y100 HydrophobicContact CG-CE1 4.4Å; Y52-Y100 AromaticContact CG-CE2 3.95Å; Y52-Y100 HydrophobicContact CG-CE2 3.95Å; Y52-Y100 AromaticContact CG-CG 3.82Å; Y52-Y100 HydrophobicContact CG-CG 3.82Å; L62-Y100 PolarHBondContact O-N 3.21Å; V63-Y100 VanDerWaalsContact CA-O 3.28Å; V63-Y100 WeakPolarHBondContact CA-O 3.4Å; V63-Y100 HydrophobicContact CG1-CD1 4.47Å; V63-Y100 HydrophobicContact CG2-CD1 4.1Å; I64-Y100 PolarHBondContact N-O 3.43Å
101W89.3Confident86.2Confident5 Ų543.6 Ų43.62%0.01923%0.231CC..  trans-150.7175.5158.660.599.3000108.6L12 I64 K70 V73 L74 V95 S103 V104 D107L12-W101 HydrophobicContact CD1-CB 4.28Å; I64-W101 HydrophobicContact CB-CE3 4.06Å; I64-W101 HydrophobicContact CG1-CE3 4.32Å; I64-W101 HydrophobicContact CG1-CZ3 4.43Å; K70-W101 HydrophobicContact CD-CG 4.38Å; K70-W101 HydrophobicContact CG-CD2 4.29Å; V73-W101 HydrophobicContact CG1-CH2 4.19Å; V73-W101 HydrophobicContact CG1-CZ3 4.2Å; L74-W101 HydrophobicContact CD2-CH2 4.35Å; L74-W101 HydrophobicContact CD2-CZ2 4.15Å; L74-W101 HydrophobicContact CG-CH2 4.5Å; L74-W101 HydrophobicContact CG-CZ2 4.38Å; V95-W101 HydrophobicContact CG1-CH2 3.24Å; V95-W101 HydrophobicContact CG1-CZ2 4.08Å; V95-W101 HydrophobicContact CG1-CZ3 3.54Å; W101-S103 VanDerWaalsContact CD1-OG 3.3Å; W101-V104 HydrophobicContact CB-CG2 4.38Å; W101-V104 HydrophobicContact CD2-CB 4.32Å; W101-V104 HydrophobicContact CD2-CG2 3.24Å; W101-V104 HydrophobicContact CE3-CG2 3.62Å; W101-V104 HydrophobicContact CG-CG2 3.6Å; W101-V104 HydrophobicContact CH2-CG2 4.22Å; W101-V104 HydrophobicContact CZ2-CB 4.25Å; W101-V104 HydrophobicContact CZ2-CG1 4.38Å; W101-V104 HydrophobicContact CZ2-CG2 3.89Å; W101-V104 HydrophobicContact CZ3-CG2 4.1Å; W101-V104 VanDerWaalsContact O-CG2 3.28Å; W101-V104 WeakPolarHBondContact O-CG2 3.23Å; W101-D107 PolarHBondContact NE1-OD2 2.98Å
102T81.6Confident86.1Confident54 Ų5444.3 Ų44.333%0.33124%0.235SC..THydrogen-bonded Turntrans-73.2-32-170.443.50000113.5G8 L12G8-T102 WeakPolarHBondContact O-CB 3.32Å; G8-T102 PolarHBondContact O-OG1 3.29Å; L12-T102 HydrophobicContact CD1-CG2 4.42Å
103S83.1Confident85.7Confident35 Ų3546.4 Ų46.425%0.24524%0.241CC..THydrogen-bonded Turntrans-104.913.9-174.850.10000114.9W101 T105 N106 D107W101-S103 VanDerWaalsContact CD1-OG 3.3Å; S103-T105 VanDerWaalsContact C-N 3.29Å; S103-T105 PolarHBondContact O-N 2.71Å; S103-N106 PolarHBondContact O-N 3.08Å; S103-D107 WeakPolarHBondContact CB-OD2 3.28Å; S103-D107 PolarHBondContact O-N 3.41Å; S103-D107 PolarHBondContact OG-OD1 3.02Å; S103-D107 PolarHBondContact OG-OD2 3.46Å
104V86.1Confident85.6Confident9 Ų943.6 Ų43.66%0.05523%0.226CC..Hα-helixtrans-41.5-52.7-175.1171.10000113.1L92 V95 E96 W101 N106 D107 V108L92-V104 HydrophobicContact CD1-CG1 3.69Å; V95-V104 HydrophobicContact CB-CG1 4.4Å; V95-V104 HydrophobicContact CG1-CG1 3.61Å; V95-V104 HydrophobicContact CG1-CG2 4.46Å; E96-V104 HydrophobicContact CG-CG1 4.04Å; W101-V104 HydrophobicContact CB-CG2 4.38Å; W101-V104 HydrophobicContact CD2-CB 4.32Å; W101-V104 HydrophobicContact CD2-CG2 3.24Å; W101-V104 HydrophobicContact CE3-CG2 3.62Å; W101-V104 HydrophobicContact CG-CG2 3.6Å; W101-V104 HydrophobicContact CH2-CG2 4.22Å; W101-V104 HydrophobicContact CZ2-CB 4.25Å; W101-V104 HydrophobicContact CZ2-CG1 4.38Å; W101-V104 HydrophobicContact CZ2-CG2 3.89Å; W101-V104 HydrophobicContact CZ3-CG2 4.1Å; W101-V104 VanDerWaalsContact O-CG2 3.28Å; W101-V104 WeakPolarHBondContact O-CG2 3.23Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.92Å; V104-D107 PolarHBondContact O-N 2.85Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V104-V108 WeakPolarHBondContact O-CB 3.21Å; V104-V108 WeakPolarHBondContact O-CG2 3.38Å; V104-V108 PolarHBondContact O-N 3.33Å
105T83.1Confident85.5Confident62 Ų6242.3 Ų42.338%0.3822%0.22SC..Hα-helixtrans-64.6-37.7-176.7-45.70000112.9L92 S103 K109L92-T105 HydrophobicContact CD2-CG2 4.19Å; S103-T105 VanDerWaalsContact C-N 3.29Å; S103-T105 PolarHBondContact O-N 2.71Å; T105-K109 VanDerWaalsContact O-CG 3.27Å; T105-K109 WeakPolarHBondContact O-CG 3.19Å; T105-K109 PolarHBondContact O-N 2.98Å
106N82.3Confident85.2Confident85 Ų8546.9 Ų46.946%0.45524%0.241SC..Hα-helixtrans-71.9-47.5178.2-175.965.6000110.2S103 V104 V108 K109 Q110S103-N106 PolarHBondContact O-N 3.08Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.92Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.88Å; N106-K109 WeakPolarHBondContact O-CA 3.21Å; N106-K109 WeakPolarHBondContact O-CB 3.38Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-Q110 WeakPolarHBondContact O-CG 3.4Å; N106-Q110 PolarHBondContact O-N 2.86Å
107D84.9Confident84.9Confident33 Ų3350 Ų5018%0.17626%0.256CS..Hα-helixtrans-66.2-38.5-175.1-55.6-14.9000111.2L74 W101 S103 V104 K109 Q110 W111L74-D107 HydrophobicContact CD1-CB 4.18Å; W101-D107 PolarHBondContact NE1-OD2 2.98Å; S103-D107 WeakPolarHBondContact CB-OD2 3.28Å; S103-D107 PolarHBondContact O-N 3.41Å; S103-D107 PolarHBondContact OG-OD1 3.02Å; S103-D107 PolarHBondContact OG-OD2 3.46Å; V104-D107 PolarHBondContact O-N 2.85Å; D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact O-N 3.33Å; D107-Q110 PolarHBondContact O-N 3.32Å; D107-W111 VanDerWaalsContact O-CB 3.23Å; D107-W111 WeakPolarHBondContact O-CB 3.26Å; D107-W111 PolarHBondContact O-N 3.43Å
108V86.7Confident84.8Confident1 Ų148.4 Ų48.41%0.00624%0.244CC..Hα-helixtrans-61-42171.6170.60000111.5L74 I88 T91 L92 V95 V104 N106 V112L74-V108 HydrophobicContact CD2-CB 4.27Å; L74-V108 HydrophobicContact CD2-CG2 3.49Å; L74-V108 VanDerWaalsContact CD2-CG2 3.49Å; I88-V108 HydrophobicContact CG2-CG1 4.35Å; T91-V108 HydrophobicContact CG2-CG1 3.82Å; T91-V108 HydrophobicContact CG2-CG2 4.44Å; L92-V108 HydrophobicContact CB-CG1 4.21Å; L92-V108 HydrophobicContact CD1-CB 4.48Å; L92-V108 HydrophobicContact CD1-CG2 4.26Å; V95-V108 HydrophobicContact CB-CG2 4.44Å; V95-V108 HydrophobicContact CG2-CG2 4.1Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V104-V108 WeakPolarHBondContact O-CB 3.21Å; V104-V108 WeakPolarHBondContact O-CG2 3.38Å; V104-V108 PolarHBondContact O-N 3.33Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 2.88Å; V108-V112 HydrophobicContact CG1-CG2 4.49Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.39Å; V108-V112 PolarHBondContact O-N 3.2Å; V108-V112 VanDerWaalsContact O-N 3.08Å
109K82.9Confident84.5Confident91 Ų9145 Ų4540%0.39623%0.226SC..Hα-helixtrans-64.2-49.4177.1-75.5173.8180178.10111.1I88 T105 N106 D107 W111 V112 Y113I88-K109 HydrophobicContact CD1-CG 4.28Å; I88-K109 HydrophobicContact CG2-CG 3.84Å; T105-K109 VanDerWaalsContact O-CG 3.27Å; T105-K109 WeakPolarHBondContact O-CG 3.19Å; T105-K109 PolarHBondContact O-N 2.98Å; N106-K109 WeakPolarHBondContact O-CA 3.21Å; N106-K109 WeakPolarHBondContact O-CB 3.38Å; N106-K109 PolarHBondContact O-N 3.46Å; D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact O-N 3.33Å; K109-W111 VanDerWaalsContact C-N 3.32Å; K109-W111 PolarHBondContact O-N 2.7Å; K109-V112 PolarHBondContact O-N 3.34Å; K109-Y113 HydrophobicContact CB-CD2 4.29Å; K109-Y113 HydrophobicContact CB-CE2 4.19Å; K109-Y113 WeakPolarHBondContact O-CB 3.18Å; K109-Y113 WeakPolarHBondContact O-CD2 3.49Å; K109-Y113 PolarHBondContact O-N 3.04Å
110Q82.8Confident83.9Confident53 Ų5344 Ų4425%0.24822%0.224CC..Hα-helixtrans-57.5-47.1178.3-64.9-52-35.900110.9N106 D107 V112 Y113 A114N106-Q110 WeakPolarHBondContact O-CG 3.4Å; N106-Q110 PolarHBondContact O-N 2.86Å; D107-Q110 PolarHBondContact O-N 3.32Å; Q110-V112 PolarHBondContact O-N 3.45Å; Q110-Y113 PolarHBondContact O-N 3.4Å; Q110-A114 VanDerWaalsContact O-CB 3.28Å; Q110-A114 WeakPolarHBondContact O-CB 3.5Å; Q110-A114 PolarHBondContact O-N 3.21Å
111W87.6Confident83.1Confident26 Ų2645.5 Ų45.510%0.09825%0.246CC..Hα-helixtrans-57.9-50179.7-170.2-91.9000112.5K71 L74 R75 H78 D107 K109 Y113 A114 C115 E427K71-W111 HydrophobicContact CB-CH2 4.1Å; K71-W111 HydrophobicContact CB-CZ3 3.98Å; K71-W111 HydrophobicContact CD-CZ3 4.29Å; K71-W111 HydrophobicContact CG-CH2 4.41Å; K71-W111 HydrophobicContact CG-CZ3 3.83Å; L74-W111 HydrophobicContact CB-CD2 3.66Å; L74-W111 HydrophobicContact CB-CE3 4.05Å; L74-W111 HydrophobicContact CB-CG 3.87Å; L74-W111 HydrophobicContact CB-CZ2 4.45Å; L74-W111 HydrophobicContact CD1-CB 4.27Å; L74-W111 HydrophobicContact CD1-CD2 4.18Å; L74-W111 HydrophobicContact CD1-CE3 3.93Å; L74-W111 HydrophobicContact CD1-CG 4.35Å; L74-W111 HydrophobicContact CD2-CB 4.48Å; R75-W111 HydrophobicContact CB-CZ2 3.81Å; R75-W111 HydrophobicContact CG-CZ2 4.43Å; H78-W111 AromaticContact CD2-CD1 3.96Å; H78-W111 AromaticContact CD2-NE1 3.81Å; H78-W111 AromaticContact CG-CD1 3.91Å; H78-W111 AromaticContact CG-NE1 3.99Å; D107-W111 VanDerWaalsContact O-CB 3.23Å; D107-W111 WeakPolarHBondContact O-CB 3.26Å; D107-W111 PolarHBondContact O-N 3.43Å; K109-W111 VanDerWaalsContact C-N 3.32Å; K109-W111 PolarHBondContact O-N 2.7Å; W111-Y113 VanDerWaalsContact C-N 3.35Å; W111-Y113 PolarHBondContact O-N 3.39Å; W111-A114 PolarHBondContact O-N 3.14Å; W111-C115 PolarHBondContact O-N 3.38Å; W111-E427 WeakPolarHBondContact CZ3-OE1 3.27Å
112V85Confident82Confident15 Ų1550.9 Ų50.99%0.09127%0.27CS..Hα-helixtrans-68.9-34.3-179.8177.80000111.7I88 V108 K109 Q110I88-V112 HydrophobicContact CG1-CB 3.84Å; I88-V112 HydrophobicContact CG1-CG1 3.72Å; I88-V112 HydrophobicContact CG1-CG2 4.21Å; V108-V112 HydrophobicContact CG1-CG2 4.49Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.39Å; V108-V112 PolarHBondContact O-N 3.2Å; V108-V112 VanDerWaalsContact O-N 3.08Å; K109-V112 PolarHBondContact O-N 3.34Å; Q110-V112 PolarHBondContact O-N 3.45Å
113Y80.8Confident80.7Confident79 Ų7953 Ų5331%0.3128%0.279SS..Hα-helixtrans-72.1-33.7175.8-73.7-44.3000113.3I88 K109 Q110 W111 Q119I88-Y113 HydrophobicContact CD1-CE1 4Å; I88-Y113 HydrophobicContact CD1-CE2 4.17Å; K109-Y113 HydrophobicContact CB-CD2 4.29Å; K109-Y113 HydrophobicContact CB-CE2 4.19Å; K109-Y113 WeakPolarHBondContact O-CB 3.18Å; K109-Y113 WeakPolarHBondContact O-CD2 3.49Å; K109-Y113 PolarHBondContact O-N 3.04Å; Q110-Y113 PolarHBondContact O-N 3.4Å; W111-Y113 VanDerWaalsContact C-N 3.35Å; W111-Y113 PolarHBondContact O-N 3.39Å; Y113-Q119 WeakPolarHBondContact O-CG 3.3Å; Y113-Q119 PolarHBondContact O-NE2 2.94Å
114A83.9Confident79.1Confident16 Ų1653.6 Ų53.613%0.13228%0.281CS..Hα-helixtrans-80.9-17.8176.300000113Q110 W111 Q116 Q119 I425 E427Q110-A114 VanDerWaalsContact O-CB 3.28Å; Q110-A114 WeakPolarHBondContact O-CB 3.5Å; Q110-A114 PolarHBondContact O-N 3.21Å; W111-A114 PolarHBondContact O-N 3.14Å; A114-Q116 PolarHBondContact O-N 2.88Å; A114-Q116 VanDerWaalsContact O-N 3.07Å; A114-Q119 PolarHBondContact O-NE2 2.88Å; A114-I425 HydrophobicContact CB-CG2 4.4Å; A114-E427 HydrophobicContact CB-CB 4.3Å
115C86.4Confident76.8Confident14 Ų1459 Ų5910%0.09531%0.314CS..  trans-59.3114.7179.3175.90000112H78 H85 W111 H117 C118 Q119H78-C115 PolarHBondContact NE2-SG 3.12Å; H85-C115 VanDerWaalsContact CE1-SG 3.57Å; H85-C115 PolarHBondContact ND1-SG 2.77Å; W111-C115 PolarHBondContact O-N 3.38Å; C115-H117 PolarHBondContact O-N 2.59Å; C115-C118 HydrophobicContact CB-CB 3.97Å; C115-C118 PolarHBondContact O-N 3.47Å; C115-Q119 WeakPolarHBondContact O-CB 3.41Å; C115-Q119 VanDerWaalsContact O-CG 3.31Å; C115-Q119 WeakPolarHBondContact O-CG 3.34Å; C115-Q119 PolarHBondContact O-N 2.66Å
116Q82.9Confident75Confident96 Ų9658.9 Ų58.945%0.44931%0.311SS..Hα-helixtrans-58.1-44.4-178.1-174.4178.21.400112.5A114 C118 Q119 V120 Y424A114-Q116 PolarHBondContact O-N 2.88Å; A114-Q116 VanDerWaalsContact O-N 3.07Å; Q116-C118 VanDerWaalsContact C-N 3.35Å; Q116-C118 PolarHBondContact O-N 3.2Å; Q116-Q119 PolarHBondContact O-N 2.92Å; Q116-V120 HydrophobicContact CG-CG2 4.37Å; Q116-V120 WeakPolarHBondContact O-CB 3.43Å; Q116-V120 VanDerWaalsContact O-CG2 3.26Å; Q116-V120 WeakPolarHBondContact O-CG2 3.4Å; Q116-V120 PolarHBondContact O-N 3.37Å; Q116-Y424 HydrophobicContact CG-CE2 4.3Å
117H81.8Confident73.1Confident130 Ų13059.3 Ų59.360%0.60232%0.316SS*.Hα-helixtrans-60-44.3178.3-71.5-73.7000111.9H85 C115 A121H85-H117 AromaticContact CE1-CD2 3.76Å; H85-H117 AromaticContact NE2-CD2 3.63Å; H85-H117 AromaticContact NE2-CG 3.72Å; C115-H117 PolarHBondContact O-N 2.59Å; H117-A121 VanDerWaalsContact O-CB 3.27Å; H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 3.3Å
118C83.6Confident70.8Confident28 Ų2860.2 Ų60.219%0.18933%0.328CS..Hα-helixtrans-68-42.9177.2-71.10000112.3H78 H85 C115 Q116 V120 A121 K122H78-C118 PolarHBondContact CE1-SG 3.47Å; H85-C118 VanDerWaalsContact CB-SG 3.6Å; C115-C118 HydrophobicContact CB-CB 3.97Å; C115-C118 PolarHBondContact O-N 3.47Å; Q116-C118 VanDerWaalsContact C-N 3.35Å; Q116-C118 PolarHBondContact O-N 3.2Å; C118-V120 VanDerWaalsContact C-N 3.31Å; C118-V120 PolarHBondContact O-N 2.56Å; C118-A121 PolarHBondContact O-N 2.94Å; C118-K122 WeakPolarHBondContact O-CB 3.49Å; C118-K122 PolarHBondContact O-N 3.42Å
119Q82Confident68.6Low18 Ų1865.2 Ų65.28%0.08436%0.36CS..Hα-helixtrans-61.5-41.5178.5-73.5-172.87600111.5Y113 A114 C115 Q116 L371 K422 I425Y113-Q119 WeakPolarHBondContact O-CG 3.3Å; Y113-Q119 PolarHBondContact O-NE2 2.94Å; A114-Q119 PolarHBondContact O-NE2 2.88Å; C115-Q119 WeakPolarHBondContact O-CB 3.41Å; C115-Q119 VanDerWaalsContact O-CG 3.31Å; C115-Q119 WeakPolarHBondContact O-CG 3.34Å; C115-Q119 PolarHBondContact O-N 2.66Å; Q116-Q119 PolarHBondContact O-N 2.92Å; Q119-L371 HydrophobicContact CB-CD1 4.15Å; Q119-K422 WeakPolarHBondContact O-CE 3.43Å; Q119-K422 PolarHBondContact O-NZ 2.95Å; Q119-I425 PolarHBondContact NE2-O 2.89Å
120V77.6Confident66.5Low28 Ų2869.2 Ų69.217%0.1738%0.378CS..Hα-helixtrans-72-41.5179.9169.60000111.3Q116 C118 L371 S385Q116-V120 HydrophobicContact CG-CG2 4.37Å; Q116-V120 WeakPolarHBondContact O-CB 3.43Å; Q116-V120 VanDerWaalsContact O-CG2 3.26Å; Q116-V120 WeakPolarHBondContact O-CG2 3.4Å; Q116-V120 PolarHBondContact O-N 3.37Å; C118-V120 VanDerWaalsContact C-N 3.31Å; C118-V120 PolarHBondContact O-N 2.56Å; V120-L371 HydrophobicContact CG2-CD1 4.06Å; V120-L371 HydrophobicContact CG2-CD2 4.38Å; V120-S385 WeakPolarHBondContact CG1-OG 3.44Å; V120-S385 PolarHBondContact O-OG 2.97Å
121A70.4Confident64.5Low78 Ų7871.6 Ų71.665%0.64539%0.389SS*.Hα-helixtrans-74.4-25.4179.600000114.3H117 C118 N123H117-A121 VanDerWaalsContact O-CB 3.27Å; H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 3.3Å; C118-A121 PolarHBondContact O-N 2.94Å; A121-N123 PolarHBondContact O-N 3.44Å
122K66.8Low62.2Low118 Ų11878.1 Ų78.151%0.51342%0.42SS..  trans-73.9111.5-179.5-170.7177.5-179.1-175.90110.7C118 T124 K422C118-K122 WeakPolarHBondContact O-CB 3.49Å; C118-K122 PolarHBondContact O-N 3.42Å; K122-T124 VanDerWaalsContact C-N 3.3Å; K122-T124 PolarHBondContact O-N 2.81Å; K122-K422 PolarHBondContact O-NZ 3.28Å
123N53.8Low60.5Low98 Ų9882.6 Ų82.652%0.52444%0.443SS..  trans-74.986.5163.6-95.25.8000109.8A121 V125 E386 W387A121-N123 PolarHBondContact O-N 3.44Å; N123-V125 PolarHBondContact O-N 2.58Å; N123-E386 PolarHBondContact ND2-OE2 3.38Å; N123-E386 PolarHBondContact OD1-OE2 2.95Å; N123-W387 PolarHBondContact OD1-NE1 3.44Å
124T49.6Very low59.2Low47 Ų4782.1 Ų82.129%0.28845%0.445SS..  trans-69.2110.5163.8-48.60000106.7K122 I126K122-T124 VanDerWaalsContact C-N 3.3Å; K122-T124 PolarHBondContact O-N 2.81Å; T124-I126 VanDerWaalsContact C-N 3.34Å; T124-I126 PolarHBondContact O-N 3.47Å
125V38.7Very low58.1Low122 Ų12289.2 Ų89.274%0.73947%0.473SS*.  trans-65.5101166.1178.60000106.2N123 V127N123-V125 PolarHBondContact O-N 2.58Å; V125-V127 HydrophobicContact CG1-CG2 4.47Å; V125-V127 PolarHBondContact O-N 3.46Å
126I44.8Very low57.5Low61 Ų6189.8 Ų89.831%0.31348%0.476SS..  trans-78.9100.5172.5-51.2-180000105.4T124 A128 W387 L421 K422T124-I126 VanDerWaalsContact C-N 3.34Å; T124-I126 PolarHBondContact O-N 3.47Å; I126-A128 PolarHBondContact O-N 3.44Å; I126-W387 HydrophobicContact CD1-CH2 4.06Å; I126-L421 WeakPolarHBondContact CD1-O 3.43Å; I126-K422 HydrophobicContact CD1-CB 3.84Å
127V41.2Very low57.2Low93 Ų9390.7 Ų90.756%0.56448%0.481SS*.  trans-67.5117.7158.7-175.80000104.3V125 L359V125-V127 HydrophobicContact CG1-CG2 4.47Å; V125-V127 PolarHBondContact O-N 3.46Å; V127-L359 HydrophobicContact CB-CD2 4.07Å; V127-L359 HydrophobicContact CG1-CD2 4.19Å; V127-L359 HydrophobicContact CG2-CD2 4.48Å
128A38.5Very low57.3Low53 Ų5389 Ų8944%0.43848%0.476SS..  trans-47.5151.5171.600000109.4I126 K130I126-A128 PolarHBondContact O-N 3.44Å; A128-K130 PolarHBondContact O-N 3.5Å; A128-K130 VanDerWaalsContact O-N 3.15Å
129P39Very low57.7Low105 Ų10590.5 Ų90.568%0.68249%0.485SS*.  trans-45.8131.4169.7-20.729.9000107.9Q131P129-Q131 PolarHBondContact O-N 3.48Å
130K39.8Very low58.1Low176 Ų17690.7 Ų90.777%0.76549%0.485SS*.  trans-46.3118.7171.4-79.8-175.7176-175.40105.7A128 H132A128-K130 PolarHBondContact O-N 3.5Å; A128-K130 VanDerWaalsContact O-N 3.15Å; K130-H132 PolarHBondContact O-N 2.94Å; K130-H132 VanDerWaalsContact O-N 3.13Å
131Q39.6Very low58.7Low103 Ų10390 Ų9048%0.48148%0.482SS..  trans-44.5126.9174.1-71.9172.2-5800106.1P129 L133P129-Q131 PolarHBondContact O-N 3.48Å; Q131-L133 PolarHBondContact O-N 3.26Å
132H41.1Very low59.7Low163 Ų16387 Ų8776%0.75546%0.455SS*.  trans-53.1108.9174.7-77.16.1000106.1K130 L134K130-H132 PolarHBondContact O-N 2.94Å; K130-H132 VanDerWaalsContact O-N 3.13Å; H132-L134 PolarHBondContact O-N 3.4Å
133L47.9Very low60.8Low109 Ų10981.4 Ų81.457%0.57143%0.431SS*.  trans-57.5116165.3-64.6174000103.7Q131 K135Q131-L133 PolarHBondContact O-N 3.26Å; L133-K135 PolarHBondContact O-N 3.46Å
134L54.4Low62.6Low68 Ų6876.9 Ų76.936%0.35641%0.407SS..  trans-55.5113.1171.3-84.6175.1000106.4H132 V136 L142 I203 T235 V236H132-L134 PolarHBondContact O-N 3.4Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 3.38Å; L134-L142 HydrophobicContact CB-CD2 4.33Å; L134-L142 HydrophobicContact CD1-CD2 3.67Å; L134-I203 HydrophobicContact CD1-CD1 4.36Å; L134-T235 HydrophobicContact CD1-CG2 4.04Å; L134-T235 WeakPolarHBondContact CD1-O 3.43Å; L134-T235 WeakPolarHBondContact CG-O 3.49Å; L134-V236 HydrophobicContact CD1-CG2 4.16Å
135K59.3Low64.6Low166 Ų16674.8 Ų74.872%0.72239%0.393SS*.  trans-71.298.9174.4-170.3-173.3174.2-146.60106.3L133 E137L133-K135 PolarHBondContact O-N 3.46Å; K135-E137 HydrophobicContact CD-CG 4.3Å; K135-E137 WeakPolarHBondContact CE-OE1 3.45Å; K135-E137 HydrophobicContact CG-CG 4.15Å; K135-E137 IonicContact NZ-OE1 2.77Å; K135-E137 PolarHBondContact NZ-OE1 2.96Å
136V74Confident67.1Low26 Ų2669.9 Ų69.916%0.15836%0.363CS..  trans-79118.2173.2-168.40000106.9L134 S141 L142 L167 F168L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 3.38Å; V136-S141 VanDerWaalsContact CG1-OG 3.3Å; V136-S141 WeakPolarHBondContact CG1-OG 3.39Å; V136-L142 HydrophobicContact CG1-CB 4.06Å; V136-L142 HydrophobicContact CG2-CB 4.25Å; V136-L142 HydrophobicContact CG2-CD2 3.92Å; V136-L167 HydrophobicContact CG2-CB 3.88Å; V136-L167 HydrophobicContact CG2-CD1 4.44Å; V136-F168 HydrophobicContact CB-CB 4.49Å; V136-F168 HydrophobicContact CG1-CB 3.79Å; V136-F168 HydrophobicContact CG1-CD2 4.49Å; V136-F168 WeakPolarHBondContact O-CD2 3.49Å
137E77.6Confident69.4Low115 Ų11568.9 Ų68.954%0.53736%0.358SS..  trans-100.8-20-170.7-60.9-165.2144.600113.6K135 F168K135-E137 HydrophobicContact CD-CG 4.3Å; K135-E137 WeakPolarHBondContact CE-OE1 3.45Å; K135-E137 HydrophobicContact CG-CG 4.15Å; K135-E137 IonicContact NZ-OE1 2.77Å; K135-E137 PolarHBondContact NZ-OE1 2.96Å; E137-F168 WeakPolarHBondContact O-CE2 3.33Å
138N84.3Confident71.8Confident94 Ų9466 Ų6650%0.50334%0.339SS..SBendtrans-135.7146.8-175.8-60.6-61.9000112.2S141 F168N138-S141 WeakPolarHBondContact O-CB 3.12Å; N138-S141 PolarHBondContact O-N 2.86Å; N138-S141 PolarHBondContact O-OG 3.45Å; N138-F168 WeakPolarHBondContact O-CB 3.44Å
139P90.6Very high74.3Confident59 Ų5965.3 Ų65.338%0.38334%0.338SS..THydrogen-bonded Turntrans-50.3140.4167.4-26.133.6000112S141 F168 T169 M288P139-S141 PolarHBondContact O-N 2.83Å; P139-F168 HydrophobicContact CB-CD1 4.14Å; P139-F168 HydrophobicContact CG-CD1 3.56Å; P139-F168 HydrophobicContact CG-CE1 3.63Å; P139-T169 HydrophobicContact CB-CG2 3.65Å; P139-T169 HydrophobicContact CG-CG2 3.96Å; P139-M288 HydrophobicContact CB-SD 4.45Å
140W91.8Very high76.9Confident22 Ų2264.8 Ų64.88%0.08333%0.334CS..THydrogen-bonded Turntrans59.614.4174-150.8-110.1000114.8V143 M164 D166 W171 I192 Y196 G197 P199 M288W140-V143 HydrophobicContact CD2-CG1 4.08Å; W140-V143 HydrophobicContact CE3-CG1 3.95Å; W140-V143 HydrophobicContact CH2-CG1 4.36Å; W140-V143 HydrophobicContact CZ2-CG1 4.48Å; W140-V143 HydrophobicContact CZ3-CG1 4.08Å; W140-M164 HydrophobicContact CH2-CG 4.36Å; W140-M164 HydrophobicContact CH2-SD 3.81Å; W140-M164 HydrophobicContact CZ2-SD 3.97Å; W140-D166 WeakPolarHBondContact CA-OD1 3.4Å; W140-D166 HydrophobicContact CE3-CB 3.88Å; W140-D166 HydrophobicContact CZ3-CB 4.14Å; W140-D166 VanDerWaalsContact N-CG 3.32Å; W140-D166 PolarHBondContact N-OD1 3.2Å; W140-D166 PolarHBondContact N-OD2 3.43Å; W140-W171 AromaticContact CZ3-CD1 3.97Å; W140-I192 HydrophobicContact CH2-CG2 3.86Å; W140-I192 HydrophobicContact CZ2-CG2 3.81Å; W140-Y196 HydrophobicContact CH2-CD2 4.02Å; W140-Y196 HydrophobicContact CH2-CG 4.09Å; W140-Y196 VanDerWaalsContact CZ2-CB 3.48Å; W140-Y196 AromaticContact CZ2-CD2 4Å; W140-Y196 HydrophobicContact CZ2-CD2 4Å; W140-Y196 AromaticContact CZ2-CG 3.89Å; W140-Y196 HydrophobicContact CZ2-CG 3.89Å; W140-G197 PolarHBondContact NE1-O 2.87Å; W140-P199 WeakPolarHBondContact O-CA 3.31Å; W140-P199 WeakPolarHBondContact O-CB 3.35Å; W140-M288 HydrophobicContact CB-CE 4.39Å; W140-M288 HydrophobicContact CD2-CE 4.27Å; W140-M288 HydrophobicContact CE3-CE 3.92Å; W140-M288 HydrophobicContact CG-CE 4.49Å
141S90.3Very high79.4Confident14 Ų1458 Ų5810%0.09831%0.305CS..SBendtrans-78.6-40.4176.960.40000111.7V136 N138 P139 Q200 K201V136-S141 VanDerWaalsContact CG1-OG 3.3Å; V136-S141 WeakPolarHBondContact CG1-OG 3.39Å; N138-S141 WeakPolarHBondContact O-CB 3.12Å; N138-S141 PolarHBondContact O-N 2.86Å; N138-S141 PolarHBondContact O-OG 3.45Å; P139-S141 PolarHBondContact O-N 2.83Å; S141-Q200 WeakPolarHBondContact O-CA 3.44Å; S141-Q200 VanDerWaalsContact O-CB 3.27Å; S141-Q200 WeakPolarHBondContact O-CB 3.26Å; S141-Q200 PolarHBondContact O-N 3.01Å; S141-K201 PolarHBondContact O-N 2.83Å; S141-K201 VanDerWaalsContact O-N 3.16Å
142L89.8Confident82Confident16 Ų1659 Ų598%0.08431%0.309CS..EExtended strand (participates in β ladder)trans-133.3115.5-178.5-169.464.2000109.7L134 V136 L167 K201 I203L134-L142 HydrophobicContact CB-CD2 4.33Å; L134-L142 HydrophobicContact CD1-CD2 3.67Å; V136-L142 HydrophobicContact CG1-CB 4.06Å; V136-L142 HydrophobicContact CG2-CB 4.25Å; V136-L142 HydrophobicContact CG2-CD2 3.92Å; L142-L167 HydrophobicContact CD2-CD1 3.73Å; L142-L167 HydrophobicContact CG-CD1 3.91Å; L142-L167 WeakPolarHBondContact O-CB 3.23Å; L142-L167 PolarHBondContact O-N 3.07Å; L142-K201 HydrophobicContact CD1-CB 3.55Å; L142-I203 HydrophobicContact CD1-CD1 3.73Å; L142-I203 HydrophobicContact CD1-CG1 3.86Å; L142-I203 HydrophobicContact CD2-CD1 3.95Å; L142-I203 HydrophobicContact CG-CD1 4.04Å; L142-I203 HydrophobicContact CG-CG1 4.47Å
143V91.5Very high84.6Confident0 Ų055.1 Ų55.10%030%0.297CS..EExtended strand (participates in β ladder)trans-116.3149.7178.8-52.10000110.4W140 M164 T165 D166 P199 K201 I202 I203W140-V143 HydrophobicContact CD2-CG1 4.08Å; W140-V143 HydrophobicContact CE3-CG1 3.95Å; W140-V143 HydrophobicContact CH2-CG1 4.36Å; W140-V143 HydrophobicContact CZ2-CG1 4.48Å; W140-V143 HydrophobicContact CZ3-CG1 4.08Å; V143-M164 HydrophobicContact CB-CG 4.13Å; V143-M164 HydrophobicContact CG2-CG 4.09Å; V143-M164 HydrophobicContact CG2-SD 4.11Å; V143-T165 CarbonylContact C-O 3.45Å; V143-T165 VanDerWaalsContact CA-O 3.32Å; V143-T165 WeakPolarHBondContact CA-O 3.03Å; V143-D166 HydrophobicContact CG1-CB 4.33Å; V143-P199 HydrophobicContact CG1-CB 3.97Å; V143-P199 HydrophobicContact CG1-CG 4.32Å; V143-P199 HydrophobicContact CG2-CB 4.15Å; V143-P199 HydrophobicContact CG2-CG 3.69Å; V143-K201 PolarHBondContact N-O 3.34Å; V143-K201 VanDerWaalsContact N-O 3.15Å; V143-I202 HydrophobicContact CG2-CB 4.16Å; V143-I202 HydrophobicContact CG2-CD1 4.46Å; V143-I202 HydrophobicContact CG2-CG1 3.63Å; V143-I202 HydrophobicContact CG2-CG2 4.19Å; V143-I202 CarbonylContact O-C 3.51Å; V143-I202 WeakPolarHBondContact O-CA 3.44Å; V143-I203 PolarHBondContact O-N 3.47Å
144T91.3Very high86.8Confident3 Ų350.2 Ų50.22%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-104.1146.2170.553.10000109.8M164 T165 L167 I203T144-M164 CarbonylContact O-C 3.58Å; T144-M164 VanDerWaalsContact O-CA 3.3Å; T144-M164 WeakPolarHBondContact O-CA 3.31Å; T144-T165 PolarHBondContact N-O 2.94Å; T144-T165 PolarHBondContact O-N 2.89Å; T144-T165 PolarHBondContact OG1-O 3.44Å; T144-L167 HydrophobicContact CG2-CD1 3.94Å; T144-L167 HydrophobicContact CG2-CD2 3.73Å; T144-L167 HydrophobicContact CG2-CG 3.97Å; T144-I203 CarbonylContact C-O 3.58Å; T144-I203 VanDerWaalsContact CA-O 3.26Å; T144-I203 WeakPolarHBondContact CA-O 3.35Å; T144-I203 HydrophobicContact CG2-CB 4.25Å
145V92.2Very high88.7Confident2 Ų252.9 Ų52.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-122.7129174170.50000109I162 I163 M164 I202 I203 M204V145-I162 HydrophobicContact CG1-CD1 3.76Å; V145-I162 HydrophobicContact CG1-CG1 3.77Å; V145-I163 CarbonylContact C-O 3.58Å; V145-I163 WeakPolarHBondContact CA-O 3.49Å; V145-M164 HydrophobicContact CG2-CB 4.28Å; V145-M164 HydrophobicContact CG2-CE 3.61Å; V145-M164 HydrophobicContact CG2-CG 4.04Å; V145-I202 HydrophobicContact CB-CG2 4.15Å; V145-I202 HydrophobicContact CG2-CG2 3.53Å; V145-I203 PolarHBondContact N-O 3.3Å; V145-M204 HydrophobicContact CB-CB 4.3Å; V145-M204 HydrophobicContact CB-CG 4.06Å; V145-M204 HydrophobicContact CB-SD 4.27Å; V145-M204 HydrophobicContact CG1-CG 4.04Å; V145-M204 HydrophobicContact CG1-SD 3.74Å; V145-M204 WeakPolarHBondContact O-CG 3.4Å
146D90.7Very high90.4Very high20 Ų2050.8 Ų50.811%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-121.7144.4173.4-77.5-74.6000109.9I162 I163 T242 K247D146-I162 WeakPolarHBondContact O-CA 3.23Å; D146-I163 HydrophobicContact CB-CB 4.41Å; D146-I163 PolarHBondContact N-O 3.23Å; D146-I163 PolarHBondContact O-N 3.01Å; D146-T242 WeakPolarHBondContact OD2-CB 3.39Å; D146-T242 PolarHBondContact OD2-N 2.98Å; D146-T242 PolarHBondContact OD2-OG1 3.15Å; D146-K247 IonicContact OD1-NZ 2.87Å; D146-K247 PolarHBondContact OD1-NZ 2.78Å; D146-K247 IonicContact OD2-NZ 2.68Å; D146-K247 PolarHBondContact OD2-NZ 2.94Å
147L92.5Very high91.4Very high39 Ų3953.2 Ų53.220%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-111132.9173.4-60.3175.3000108.7I162 L177 V180 V185 F210L147-I162 HydrophobicContact CD2-CB 3.99Å; L147-I162 HydrophobicContact CD2-CD1 4.3Å; L147-I162 HydrophobicContact CD2-CG1 3.96Å; L147-L177 HydrophobicContact CD2-CD1 3.81Å; L147-V180 HydrophobicContact CD1-CB 4.42Å; L147-V180 HydrophobicContact CD1-CG1 4.27Å; L147-V185 HydrophobicContact CD1-CG2 4.21Å; L147-V185 HydrophobicContact CD2-CG2 4.05Å; L147-F210 HydrophobicContact CD1-CE1 4.16Å
148M91.8Very high92.3Very high32 Ų3249.2 Ų49.216%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-123.9146.6177.5-71.8-163.475.500111.9F151 Y160 A161 I163 K247 L250M148-F151 HydrophobicContact CB-CE2 3.99Å; M148-F151 HydrophobicContact CB-CZ 3.72Å; M148-F151 HydrophobicContact CE-CZ 4.32Å; M148-Y160 CarbonylContact O-C 3.59Å; M148-Y160 VanDerWaalsContact O-CA 3.24Å; M148-Y160 WeakPolarHBondContact O-CA 3.38Å; M148-Y160 WeakPolarHBondContact O-CB 3.2Å; M148-A161 PolarHBondContact N-O 3Å; M148-A161 PolarHBondContact O-N 3.43Å; M148-I163 HydrophobicContact CG-CD1 3.92Å; M148-I163 HydrophobicContact SD-CD1 3.61Å; M148-K247 HydrophobicContact CE-CB 3.88Å; M148-K247 HydrophobicContact CE-CG 4.36Å; M148-K247 WeakPolarHBondContact CE-O 3.28Å; M148-K247 HydrophobicContact SD-CB 3.76Å; M148-K247 HydrophobicContact SD-CD 4.46Å; M148-K247 HydrophobicContact SD-CG 3.68Å; M148-L250 HydrophobicContact SD-CB 4.39Å; M148-L250 HydrophobicContact SD-CD1 4.18Å
149G90.3Very high92.9Very high40 Ų4046 Ų4641%0.41226%0.257SS..  trans130.1-170.7179.700000111.8
150P93.8Very high93.2Very high93 Ų9345.9 Ų45.960%0.60425%0.249SC*.  cis-69.2141.6-0.928.2-34.2000112.6V159 Y160P150-V159 HydrophobicContact CB-CG1 3.66Å; P150-Y160 HydrophobicContact CB-CE1 3.9Å; P150-Y160 HydrophobicContact CG-CE1 4.48Å
151F93.2Very high93.3Very high34 Ų3444.9 Ų44.915%0.14925%0.245CC..  trans-99.1177.4169.6-58.9-63000110.8M148 T153 V159 A161 C254 W261M148-F151 HydrophobicContact CB-CE2 3.99Å; M148-F151 HydrophobicContact CB-CZ 3.72Å; M148-F151 HydrophobicContact CE-CZ 4.32Å; F151-T153 PolarHBondContact O-N 2.7Å; F151-V159 PolarHBondContact N-O 3.36Å; F151-A161 HydrophobicContact CE2-CB 4Å; F151-C254 HydrophobicContact CD1-CB 3.74Å; F151-C254 HydrophobicContact CE1-CB 4.06Å; F151-C254 HydrophobicContact CG-CB 4.13Å; F151-W261 HydrophobicContact CB-CZ2 4.03Å; F151-W261 AromaticContact CD2-CH2 3.86Å; F151-W261 HydrophobicContact CD2-CH2 3.86Å; F151-W261 HydrophobicContact CD2-CZ2 4.02Å; F151-W261 HydrophobicContact CD2-CZ3 4.09Å; F151-W261 HydrophobicContact CE2-CZ3 4.46Å; F151-W261 HydrophobicContact CG-CZ2 4.46Å
152H92.9Very high93.6Very high123 Ų12344.2 Ų44.257%0.56924%0.241SC*.PPolyproline II helixtrans-59.2137.6166.2-73.9-74.8000110.2S154 P258 W261H152-S154 PolarHBondContact O-N 3.5Å; H152-S154 VanDerWaalsContact O-N 3.15Å; H152-P258 HydrophobicContact CB-CB 3.75Å; H152-P258 WeakPolarHBondContact CB-O 3.37Å; H152-W261 PolarHBondContact O-NE1 3.31Å
153T95.8Very high93.8Very high83 Ų8343.4 Ų43.451%0.50924%0.237SC..PPolyproline II helixtrans-62.8117.5178.6-53.60000109.5F151 V159F151-T153 PolarHBondContact O-N 2.7Å; T153-V159 HydrophobicContact CG2-CG2 4.23Å
154S95.1Very high93.9Very high5 Ų543.4 Ų43.44%0.03524%0.237CC..PPolyproline II helixtrans-68.1166.9174.660.10000112H152 R156 S157 H158 N259 D262H152-S154 PolarHBondContact O-N 3.5Å; H152-S154 VanDerWaalsContact O-N 3.15Å; S154-R156 PolarHBondContact O-N 2.82Å; S154-R156 VanDerWaalsContact O-N 3.13Å; S154-S157 PolarHBondContact O-N 2.75Å; S154-H158 PolarHBondContact N-O 2.87Å; S154-H158 WeakPolarHBondContact OG-CA 3.38Å; S154-H158 WeakPolarHBondContact OG-CB 3.21Å; S154-H158 PolarHBondContact OG-N 2.86Å; S154-H158 PolarHBondContact OG-O 3.07Å; S154-H158 VanDerWaalsContact OG-O 3.14Å; S154-N259 CarbonylContact C-O 3.53Å; S154-N259 WeakPolarHBondContact CA-O 3.28Å; S154-D262 VanDerWaalsContact CB-CG 3.41Å; S154-D262 WeakPolarHBondContact CB-OD1 2.95Å; S154-D262 PolarHBondContact OG-OD2 2.77Å
155N94.7Very high94Very high125 Ų12543.4 Ų43.467%0.66824%0.237SC*.THydrogen-bonded Turntrans-57.9-25.6173.6-69.4-28000112.8S157 N259N155-S157 VanDerWaalsContact C-N 3.35Å; N155-N259 VanDerWaalsContact CG-O 3.26Å; N155-N259 PolarHBondContact N-O 2.97Å; N155-N259 PolarHBondContact ND2-O 3.3Å
156R94.3Very high93.9Very high121 Ų12143.3 Ų43.346%0.45724%0.236SC..THydrogen-bonded Turntrans-94.914.7175.6-58.9-170.2-59.6-149.9-4.6113.5S154 H158 D262 D263S154-R156 PolarHBondContact O-N 2.82Å; S154-R156 VanDerWaalsContact O-N 3.13Å; R156-H158 PolarHBondContact O-N 2.75Å; R156-D262 IonicContact CZ-OD2 3.68Å; R156-D262 IonicContact NE-OD2 2.69Å; R156-D262 PolarHBondContact NE-OD2 3.03Å; R156-D262 VanDerWaalsContact NH2-C 3.25Å; R156-D262 VanDerWaalsContact NH2-CG 3.33Å; R156-D262 PolarHBondContact NH2-O 2.93Å; R156-D262 VanDerWaalsContact NH2-O 3.13Å; R156-D262 IonicContact NH2-OD2 2.91Å; R156-D262 PolarHBondContact NH2-OD2 2.95Å; R156-D263 IonicContact CZ-OD1 3.08Å; R156-D263 IonicContact NE-OD1 3.28Å; R156-D263 IonicContact NH1-OD1 3.61Å; R156-D263 PolarHBondContact NH1-OD1 3.07Å; R156-D263 IonicContact NH2-OD1 2.75Å; R156-D263 PolarHBondContact NH2-OD1 3.42Å; R156-D263 VanDerWaalsContact NH2-OD1 3.08Å
157S94.7Very high93.8Very high78 Ų7842.8 Ų42.855%0.54523%0.233SC..  trans6615.8178.3-53.20000115.7S154 N155S154-S157 PolarHBondContact O-N 2.75Å; N155-S157 VanDerWaalsContact C-N 3.35Å
158H96.8Very high93.5Very high31 Ų3144.7 Ų44.714%0.14424%0.24CC..  trans-75.9142169.6-54118.4000111.1S154 R156 P176 L177 W261 D262S154-H158 PolarHBondContact N-O 2.87Å; S154-H158 WeakPolarHBondContact OG-CA 3.38Å; S154-H158 WeakPolarHBondContact OG-CB 3.21Å; S154-H158 PolarHBondContact OG-N 2.86Å; S154-H158 PolarHBondContact OG-O 3.07Å; S154-H158 VanDerWaalsContact OG-O 3.14Å; R156-H158 PolarHBondContact O-N 2.75Å; H158-P176 HydrophobicContact CB-CB 3.87Å; H158-L177 WeakPolarHBondContact CA-O 3.2Å; H158-W261 HydrophobicContact CB-CH2 4.07Å; H158-W261 HydrophobicContact CB-CZ2 4.09Å; H158-W261 WeakPolarHBondContact O-CZ2 3.1Å; H158-D262 HydrophobicContact CB-CB 4.23Å; H158-D262 IonicContact CE1-OD2 2.66Å; H158-D262 IonicContact CG-OD2 2.81Å; H158-D262 IonicContact ND1-OD2 3.08Å; H158-D262 PolarHBondContact ND1-OD2 2.74Å
159V96.4Very high93.3Very high26 Ų2643.3 Ų43.316%0.15823%0.234CC..  trans-130.6-20.6-177-176.10000111.8P150 F151 T153 L177P150-V159 HydrophobicContact CB-CG1 3.66Å; F151-V159 PolarHBondContact N-O 3.36Å; T153-V159 HydrophobicContact CG2-CG2 4.23Å; V159-L177 PolarHBondContact N-O 2.84Å
160Y96.7Very high93.2Very high57 Ų5744.5 Ų44.522%0.22423%0.227CC..EExtended strand (participates in β ladder)trans-127.9163.2-177.8-61.6-92.5000110.8M148 P150 P176 L177 V180 W261M148-Y160 CarbonylContact O-C 3.59Å; M148-Y160 VanDerWaalsContact O-CA 3.24Å; M148-Y160 WeakPolarHBondContact O-CA 3.38Å; M148-Y160 WeakPolarHBondContact O-CB 3.2Å; P150-Y160 HydrophobicContact CB-CE1 3.9Å; P150-Y160 HydrophobicContact CG-CE1 4.48Å; Y160-P176 CarbonylContact O-C 3.51Å; Y160-L177 PolarHBondContact N-O 3.11Å; Y160-L177 PolarHBondContact O-N 3.21Å; Y160-V180 HydrophobicContact CD1-CG1 3.56Å; Y160-V180 HydrophobicContact CD2-CG1 4.14Å; Y160-V180 HydrophobicContact CE1-CG1 3.91Å; Y160-V180 HydrophobicContact CE2-CG1 4.46Å; Y160-V180 HydrophobicContact CG-CG1 3.68Å; Y160-W261 WeakPolarHBondContact O-CH2 3.49Å
161A95.8Very high93.1Very high0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-126.9140.9170.800000110.1M148 F151 I174 L175 W261M148-A161 PolarHBondContact N-O 3Å; M148-A161 PolarHBondContact O-N 3.43Å; F151-A161 HydrophobicContact CE2-CB 4Å; A161-I174 HydrophobicContact CB-CG2 4.38Å; A161-L175 CarbonylContact C-O 3.53Å; A161-L175 WeakPolarHBondContact CA-O 3.27Å; A161-W261 HydrophobicContact CB-CZ3 4.24Å
162I95.6Very high93.1Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-100.3134.4166.9-174.7170.9000109V145 D146 L147 I174 L175 L177 V185 A188 I189V145-I162 HydrophobicContact CG1-CD1 3.76Å; V145-I162 HydrophobicContact CG1-CG1 3.77Å; D146-I162 WeakPolarHBondContact O-CA 3.23Å; L147-I162 HydrophobicContact CD2-CB 3.99Å; L147-I162 HydrophobicContact CD2-CD1 4.3Å; L147-I162 HydrophobicContact CD2-CG1 3.96Å; I162-I174 WeakPolarHBondContact O-CA 3.2Å; I162-L175 HydrophobicContact CG2-CB 3.69Å; I162-L175 WeakPolarHBondContact CG2-O 3.44Å; I162-L175 PolarHBondContact N-O 2.72Å; I162-L175 PolarHBondContact O-N 3.23Å; I162-L177 HydrophobicContact CB-CD1 3.86Å; I162-L177 HydrophobicContact CB-CD2 4.41Å; I162-L177 HydrophobicContact CB-CG 4.17Å; I162-L177 HydrophobicContact CG2-CD1 4.31Å; I162-L177 HydrophobicContact CG2-CD2 3.97Å; I162-L177 HydrophobicContact CG2-CG 4.08Å; I162-V185 HydrophobicContact CD1-CG1 4.19Å; I162-A188 HydrophobicContact CD1-CB 4.46Å; I162-A188 HydrophobicContact CG2-CB 4Å; I162-I189 HydrophobicContact CD1-CG1 3.93Å
163I94.6Very high93.2Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-119.7118.5176.6-51.1166.9000107.3V145 D146 M148 V172 I174 T242 I246 K247 L250V145-I163 CarbonylContact C-O 3.58Å; V145-I163 WeakPolarHBondContact CA-O 3.49Å; D146-I163 HydrophobicContact CB-CB 4.41Å; D146-I163 PolarHBondContact N-O 3.23Å; D146-I163 PolarHBondContact O-N 3.01Å; M148-I163 HydrophobicContact CG-CD1 3.92Å; M148-I163 HydrophobicContact SD-CD1 3.61Å; I163-V172 HydrophobicContact CG2-CG1 4.01Å; I163-I174 HydrophobicContact CG1-CG1 4.39Å; I163-I174 HydrophobicContact CG1-CG2 4.25Å; I163-I174 HydrophobicContact CG2-CG1 4.22Å; I163-T242 HydrophobicContact CB-CG2 4.44Å; I163-T242 HydrophobicContact CD1-CG2 4.29Å; I163-T242 HydrophobicContact CG2-CG2 3.65Å; I163-I246 HydrophobicContact CD1-CG2 4.41Å; I163-K247 HydrophobicContact CD1-CG 4.42Å; I163-L250 HydrophobicContact CD1-CD1 3.54Å; I163-L250 HydrophobicContact CG1-CD1 4.08Å
164M93.9Very high93.2Very high0 Ų030 Ų300%015%0.147CC..EExtended strand (participates in β ladder)trans-109.6123.2174-173.5175.8-71.200109.3W140 V143 T144 V145 V172 V173 I189 I192 I202W140-M164 HydrophobicContact CH2-CG 4.36Å; W140-M164 HydrophobicContact CH2-SD 3.81Å; W140-M164 HydrophobicContact CZ2-SD 3.97Å; V143-M164 HydrophobicContact CB-CG 4.13Å; V143-M164 HydrophobicContact CG2-CG 4.09Å; V143-M164 HydrophobicContact CG2-SD 4.11Å; T144-M164 CarbonylContact O-C 3.58Å; T144-M164 VanDerWaalsContact O-CA 3.3Å; T144-M164 WeakPolarHBondContact O-CA 3.31Å; V145-M164 HydrophobicContact CG2-CB 4.28Å; V145-M164 HydrophobicContact CG2-CE 3.61Å; V145-M164 HydrophobicContact CG2-CG 4.04Å; M164-V172 CarbonylContact O-C 3.56Å; M164-V172 WeakPolarHBondContact O-CA 3.29Å; M164-V173 PolarHBondContact N-O 3.04Å; M164-V173 PolarHBondContact O-N 3.43Å; M164-I189 HydrophobicContact CE-CB 4.39Å; M164-I189 HydrophobicContact CE-CG1 3.94Å; M164-I189 HydrophobicContact CE-CG2 4.18Å; M164-I192 HydrophobicContact CB-CD1 3.94Å; M164-I192 HydrophobicContact CE-CD1 3.93Å; M164-I192 HydrophobicContact SD-CB 4.32Å; M164-I192 HydrophobicContact SD-CD1 3.99Å; M164-I192 HydrophobicContact SD-CG2 3.73Å; M164-I202 HydrophobicContact CE-CD1 4.41Å
165T92.3Very high93.3Very high3 Ų331.7 Ų31.72%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-124.5122.8-176.4-53.80000110.8V143 T144 W171 V172 T242V143-T165 CarbonylContact C-O 3.45Å; V143-T165 VanDerWaalsContact CA-O 3.32Å; V143-T165 WeakPolarHBondContact CA-O 3.03Å; T144-T165 PolarHBondContact N-O 2.94Å; T144-T165 PolarHBondContact O-N 2.89Å; T144-T165 PolarHBondContact OG1-O 3.44Å; T165-W171 CarbonylContact C-O 3.54Å; T165-W171 WeakPolarHBondContact CA-O 3.18Å; T165-V172 HydrophobicContact CG2-CG2 4Å; T165-T242 PolarHBondContact OG1-OG1 3.03Å
166D90.9Very high93.4Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-73.2127.9171.217850.8000111.4W140 V143 F168 T169 K170 W171W140-D166 WeakPolarHBondContact CA-OD1 3.4Å; W140-D166 HydrophobicContact CE3-CB 3.88Å; W140-D166 HydrophobicContact CZ3-CB 4.14Å; W140-D166 VanDerWaalsContact N-CG 3.32Å; W140-D166 PolarHBondContact N-OD1 3.2Å; W140-D166 PolarHBondContact N-OD2 3.43Å; V143-D166 HydrophobicContact CG1-CB 4.33Å; D166-F168 VanDerWaalsContact C-N 3.34Å; D166-F168 PolarHBondContact O-N 3.31Å; D166-F168 PolarHBondContact OD2-N 3.37Å; D166-T169 VanDerWaalsContact OD2-CB 3.29Å; D166-T169 WeakPolarHBondContact OD2-CB 3.31Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.46Å; D166-T169 PolarHBondContact OD2-N 3.18Å; D166-T169 PolarHBondContact OD2-OG1 2.73Å; D166-K170 WeakPolarHBondContact O-CA 3.34Å; D166-K170 PolarHBondContact O-N 3.19Å; D166-W171 HydrophobicContact CB-CB 4.17Å; D166-W171 PolarHBondContact N-O 2.88Å
167L86.9Confident93.5Very high9 Ų921.5 Ų21.55%0.04711%0.112CC..THydrogen-bonded Turntrans-76.3-22.4-174.7-69.7-174.3000113.6V136 L142 T144 K170 V236 E240V136-L167 HydrophobicContact CG2-CB 3.88Å; V136-L167 HydrophobicContact CG2-CD1 4.44Å; L142-L167 HydrophobicContact CD2-CD1 3.73Å; L142-L167 HydrophobicContact CG-CD1 3.91Å; L142-L167 WeakPolarHBondContact O-CB 3.23Å; L142-L167 PolarHBondContact O-N 3.07Å; T144-L167 HydrophobicContact CG2-CD1 3.94Å; T144-L167 HydrophobicContact CG2-CD2 3.73Å; T144-L167 HydrophobicContact CG2-CG 3.97Å; L167-K170 WeakPolarHBondContact O-CE 3.37Å; L167-K170 PolarHBondContact O-NZ 2.97Å; L167-V236 HydrophobicContact CD1-CG2 4.49Å; L167-E240 WeakPolarHBondContact CD2-O 3.41Å
168F86.3Confident93.6Very high79 Ų7920.4 Ų20.435%0.34610%0.104SC..THydrogen-bonded Turntrans-80.3-61.3178.5-176.1-92.3000111.8V136 E137 N138 P139 D166V136-F168 HydrophobicContact CB-CB 4.49Å; V136-F168 HydrophobicContact CG1-CB 3.79Å; V136-F168 HydrophobicContact CG1-CD2 4.49Å; V136-F168 WeakPolarHBondContact O-CD2 3.49Å; E137-F168 WeakPolarHBondContact O-CE2 3.33Å; N138-F168 WeakPolarHBondContact O-CB 3.44Å; P139-F168 HydrophobicContact CB-CD1 4.14Å; P139-F168 HydrophobicContact CG-CD1 3.56Å; P139-F168 HydrophobicContact CG-CE1 3.63Å; D166-F168 VanDerWaalsContact C-N 3.34Å; D166-F168 PolarHBondContact O-N 3.31Å; D166-F168 PolarHBondContact OD2-N 3.37Å
169T88.3Confident93.5Very high3 Ų322.2 Ų22.22%0.01811%0.114CC..THydrogen-bonded Turntrans-82.6-17.4-175.262.10000113.1P139 D166 W171 P284 Q287 M288P139-T169 HydrophobicContact CB-CG2 3.65Å; P139-T169 HydrophobicContact CG-CG2 3.96Å; D166-T169 VanDerWaalsContact OD2-CB 3.29Å; D166-T169 WeakPolarHBondContact OD2-CB 3.31Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.46Å; D166-T169 PolarHBondContact OD2-N 3.18Å; D166-T169 PolarHBondContact OD2-OG1 2.73Å; T169-W171 PolarHBondContact O-N 2.89Å; T169-W171 WeakPolarHBondContact OG1-CB 3.45Å; T169-W171 PolarHBondContact OG1-N 3.37Å; T169-P284 VanDerWaalsContact O-CA 3.3Å; T169-P284 WeakPolarHBondContact O-CA 3.3Å; T169-P284 WeakPolarHBondContact O-CB 3.29Å; T169-Q287 HydrophobicContact CG2-CB 3.97Å; T169-Q287 WeakPolarHBondContact CG2-O 3.49Å; T169-M288 HydrophobicContact CG2-CB 4.25Å; T169-M288 HydrophobicContact CG2-SD 3.99Å
170K87.9Confident93.4Very high64 Ų6423.7 Ų23.728%0.27812%0.123SC..  trans63.420.1-166-49.5-53-173.9-167.80113.3D166 L167 V172 P284D166-K170 WeakPolarHBondContact O-CA 3.34Å; D166-K170 PolarHBondContact O-N 3.19Å; L167-K170 WeakPolarHBondContact O-CE 3.37Å; L167-K170 PolarHBondContact O-NZ 2.97Å; K170-V172 PolarHBondContact O-N 3.39Å; K170-P284 HydrophobicContact CB-CG 4.22Å
171W91.6Very high93.3Very high11 Ų1123.2 Ų23.24%0.04213%0.128CC..  trans-64.2129.5175-177.4-94.2000111.1W140 T165 D166 T169 Y196 N273 Y285 M288 F289W140-W171 AromaticContact CZ3-CD1 3.97Å; T165-W171 CarbonylContact C-O 3.54Å; T165-W171 WeakPolarHBondContact CA-O 3.18Å; D166-W171 HydrophobicContact CB-CB 4.17Å; D166-W171 PolarHBondContact N-O 2.88Å; T169-W171 PolarHBondContact O-N 2.89Å; T169-W171 WeakPolarHBondContact OG1-CB 3.45Å; T169-W171 PolarHBondContact OG1-N 3.37Å; W171-Y196 AromaticContact CE2-CZ 3.94Å; W171-Y196 HydrophobicContact CZ2-CE1 4.36Å; W171-Y196 VanDerWaalsContact CZ2-OH 3.22Å; W171-Y196 WeakPolarHBondContact CZ2-OH 3.47Å; W171-Y196 AromaticContact NE1-CE1 3.53Å; W171-Y196 AromaticContact NE1-CZ 3.29Å; W171-Y196 VanDerWaalsContact NE1-CZ 3.29Å; W171-Y196 PolarHBondContact NE1-OH 3.32Å; W171-N273 HydrophobicContact CE3-CB 3.89Å; W171-N273 HydrophobicContact CH2-CB 3.96Å; W171-N273 WeakPolarHBondContact CH2-ND2 3.13Å; W171-N273 VanDerWaalsContact CZ2-ND2 3.32Å; W171-N273 WeakPolarHBondContact CZ2-ND2 3.29Å; W171-N273 HydrophobicContact CZ3-CB 3.52Å; W171-Y285 AromaticContact CH2-CD2 3.72Å; W171-Y285 HydrophobicContact CH2-CD2 3.72Å; W171-Y285 HydrophobicContact CH2-CE2 4.13Å; W171-Y285 AromaticContact CZ3-CD2 3.52Å; W171-Y285 HydrophobicContact CZ3-CD2 3.52Å; W171-Y285 HydrophobicContact CZ3-CE2 4.3Å; W171-Y285 AromaticContact CZ3-CG 3.94Å; W171-Y285 HydrophobicContact CZ3-CG 3.94Å; W171-M288 HydrophobicContact CB-CB 4.39Å; W171-M288 HydrophobicContact CB-CG 4.36Å; W171-M288 HydrophobicContact CB-SD 4.28Å; W171-M288 HydrophobicContact CD2-CB 4.14Å; W171-M288 HydrophobicContact CD2-CG 3.97Å; W171-M288 HydrophobicContact CE3-CB 3.74Å; W171-M288 HydrophobicContact CE3-CG 4.03Å; W171-M288 HydrophobicContact CG-CB 4.43Å; W171-M288 HydrophobicContact CG-CG 4.11Å; W171-M288 HydrophobicContact CG-SD 4.37Å; W171-M288 HydrophobicContact CZ3-CB 4.46Å; W171-F289 HydrophobicContact CE3-CE2 4.15Å; W171-F289 HydrophobicContact CH2-CD2 4.45Å; W171-F289 AromaticContact CH2-CE2 3.51Å; W171-F289 HydrophobicContact CH2-CE2 3.51Å; W171-F289 HydrophobicContact CH2-CZ 4.29Å; W171-F289 HydrophobicContact CZ2-CE2 4Å; W171-F289 HydrophobicContact CZ2-CZ 4.35Å; W171-F289 HydrophobicContact CZ3-CD2 4.17Å; W171-F289 AromaticContact CZ3-CE2 3.57Å; W171-F289 HydrophobicContact CZ3-CE2 3.57Å
172V92.9Very high93.3Very high3 Ų323.9 Ų23.92%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-115137.4-175.4176.20000110I163 M164 T165 K170 I174 I246 S269 N273I163-V172 HydrophobicContact CG2-CG1 4.01Å; M164-V172 CarbonylContact O-C 3.56Å; M164-V172 WeakPolarHBondContact O-CA 3.29Å; T165-V172 HydrophobicContact CG2-CG2 4Å; K170-V172 PolarHBondContact O-N 3.39Å; V172-I174 HydrophobicContact CG1-CD1 4.11Å; V172-I174 HydrophobicContact CG1-CG1 3.75Å; V172-I246 HydrophobicContact CB-CD1 4.33Å; V172-I246 HydrophobicContact CG1-CD1 4.03Å; V172-I246 HydrophobicContact CG2-CD1 3.5Å; V172-I246 VanDerWaalsContact CG2-CD1 3.5Å; V172-S269 PolarHBondContact O-OG 3.41Å; V172-N273 PolarHBondContact N-OD1 3.4Å; V172-N273 PolarHBondContact O-ND2 2.83Å
173V95.6Very high93.4Very high12 Ų1225.7 Ų25.77%0.07315%0.146CC..EExtended strand (participates in β ladder)trans-126.9128.1169.3-175.30000108.7M164 L175 I192 Y196 S269M164-V173 PolarHBondContact N-O 3.04Å; M164-V173 PolarHBondContact O-N 3.43Å; V173-L175 HydrophobicContact CG1-CG 4.4Å; V173-I192 HydrophobicContact CB-CD1 4.25Å; V173-I192 HydrophobicContact CG1-CD1 3.87Å; V173-I192 HydrophobicContact CG1-CG1 3.92Å; V173-I192 HydrophobicContact CG1-CG2 4.45Å; V173-I192 HydrophobicContact CG2-CG2 4.41Å; V173-Y196 HydrophobicContact CG2-CE2 3.72Å; V173-S269 VanDerWaalsContact CA-OG 3.31Å; V173-S269 WeakPolarHBondContact CA-OG 3.43Å
174I96Very high93.5Very high2 Ų227.7 Ų27.71%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-121.9125179.9-50165.6000108.9A161 I162 I163 V172 I246 L250 L265 V268 S269A161-I174 HydrophobicContact CB-CG2 4.38Å; I162-I174 WeakPolarHBondContact O-CA 3.2Å; I163-I174 HydrophobicContact CG1-CG1 4.39Å; I163-I174 HydrophobicContact CG1-CG2 4.25Å; I163-I174 HydrophobicContact CG2-CG1 4.22Å; V172-I174 HydrophobicContact CG1-CD1 4.11Å; V172-I174 HydrophobicContact CG1-CG1 3.75Å; I174-I246 HydrophobicContact CD1-CG2 4.15Å; I174-L250 HydrophobicContact CD1-CD1 4.15Å; I174-L250 HydrophobicContact CD1-CD2 4.41Å; I174-L250 HydrophobicContact CG2-CD1 4.33Å; I174-L265 HydrophobicContact CB-CB 4.44Å; I174-L265 HydrophobicContact CG2-CB 4.16Å; I174-L265 HydrophobicContact CG2-CD1 4.29Å; I174-L265 HydrophobicContact CG2-CD2 3.91Å; I174-L265 HydrophobicContact CG2-CG 4.34Å; I174-V268 HydrophobicContact CD1-CB 4.49Å; I174-V268 HydrophobicContact CD1-CG1 3.92Å; I174-S269 PolarHBondContact N-OG 3.39Å
175L96.6Very high93.7Very high42 Ų4227.7 Ų27.722%0.2216%0.156CC..EExtended strand (participates in β ladder)trans-125.9147.5176.3-61177.9000110.9A161 I162 V173 A188 I192A161-L175 CarbonylContact C-O 3.53Å; A161-L175 WeakPolarHBondContact CA-O 3.27Å; I162-L175 HydrophobicContact CG2-CB 3.69Å; I162-L175 WeakPolarHBondContact CG2-O 3.44Å; I162-L175 PolarHBondContact N-O 2.72Å; I162-L175 PolarHBondContact O-N 3.23Å; V173-L175 HydrophobicContact CG1-CG 4.4Å; L175-A188 HydrophobicContact CD1-CB 4.39Å; L175-I192 HydrophobicContact CD1-CD1 3.91Å; L175-I192 HydrophobicContact CD1-CG1 3.61Å; L175-I192 HydrophobicContact CG-CD1 4.46Å; L175-I192 HydrophobicContact CG-CG1 4.45Å
176P97.2Very high93.9Very high32 Ų3227.6 Ų27.621%0.20816%0.155CC..EExtended strand (participates in β ladder)trans-78154.8173.233.5-32.6000111H158 Y160 D262 L265H158-P176 HydrophobicContact CB-CB 3.87Å; Y160-P176 CarbonylContact O-C 3.51Å; P176-D262 HydrophobicContact CB-CB 3.98Å; P176-L265 HydrophobicContact CB-CD1 3.66Å; P176-L265 HydrophobicContact CG-CD1 4.13Å
177L97.4Very high94.2Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-135.6142.2177.9-60.6178.5000110.3L147 H158 V159 Y160 I162 D179 E184 V185 A188L147-L177 HydrophobicContact CD2-CD1 3.81Å; H158-L177 WeakPolarHBondContact CA-O 3.2Å; V159-L177 PolarHBondContact N-O 2.84Å; Y160-L177 PolarHBondContact N-O 3.11Å; Y160-L177 PolarHBondContact O-N 3.21Å; I162-L177 HydrophobicContact CB-CD1 3.86Å; I162-L177 HydrophobicContact CB-CD2 4.41Å; I162-L177 HydrophobicContact CB-CG 4.17Å; I162-L177 HydrophobicContact CG2-CD1 4.31Å; I162-L177 HydrophobicContact CG2-CD2 3.97Å; I162-L177 HydrophobicContact CG2-CG 4.08Å; L177-D179 WeakPolarHBondContact CB-O 2.96Å; L177-E184 HydrophobicContact CB-CG 4.39Å; L177-E184 HydrophobicContact CD2-CG 4.05Å; L177-V185 HydrophobicContact CD1-CG2 4.17Å; L177-A188 HydrophobicContact CD2-CB 3.56Å
178C95.8Very high94.7Very high55 Ų5532 Ų3237%0.37218%0.175SC..SBendtrans-76.1-38.6173.2-59.30000111.5E184C178-E184 PolarHBondContact N-OE1 3.35Å
179D94.5Very high95.2Very high69 Ų6928.3 Ų28.337%0.36916%0.159SC..  trans-145.9179.317866.145.7000111.4L177 S181 E184L177-D179 WeakPolarHBondContact CB-O 2.96Å; D179-S181 WeakPolarHBondContact OD1-CA 3.34Å; D179-S181 WeakPolarHBondContact OD1-CB 3.26Å; D179-S181 PolarHBondContact OD1-N 3.39Å; D179-S181 PolarHBondContact OD1-OG 3.16Å; D179-E184 VanDerWaalsContact OD1-CB 3.22Å; D179-E184 WeakPolarHBondContact OD1-CB 3.17Å
180V94.4Very high95.5Very high56 Ų5628.6 Ų28.634%0.33916%0.161SC..  trans-107.430.8176.5-66.40000111.8L147 Y160 F210L147-V180 HydrophobicContact CD1-CB 4.42Å; L147-V180 HydrophobicContact CD1-CG1 4.27Å; Y160-V180 HydrophobicContact CD1-CG1 3.56Å; Y160-V180 HydrophobicContact CD2-CG1 4.14Å; Y160-V180 HydrophobicContact CE1-CG1 3.91Å; Y160-V180 HydrophobicContact CE2-CG1 4.46Å; Y160-V180 HydrophobicContact CG-CG1 3.68Å; V180-F210 WeakPolarHBondContact O-CE2 3.37Å; V180-F210 WeakPolarHBondContact O-CZ 3.29Å
181S95.6Very high95.9Very high48 Ų4829.9 Ų29.934%0.33617%0.17SC..  trans-70152.5173.771.90000110.9D179 S183 E184 V185D179-S181 WeakPolarHBondContact OD1-CA 3.34Å; D179-S181 WeakPolarHBondContact OD1-CB 3.26Å; D179-S181 PolarHBondContact OD1-N 3.39Å; D179-S181 PolarHBondContact OD1-OG 3.16Å; S181-S183 PolarHBondContact O-N 2.78Å; S181-E184 PolarHBondContact O-N 2.7Å; S181-E184 WeakPolarHBondContact OG-CB 3.33Å; S181-E184 PolarHBondContact OG-N 3.13Å; S181-V185 WeakPolarHBondContact O-CG2 3.5Å; S181-V185 PolarHBondContact O-N 2.92Å
182A95.9Very high96.1Very high13 Ų1329.4 Ų29.411%0.10717%0.169CC..Hα-helixtrans-59.7-31.7177.200000112.2S186 F210 Q213 I214A182-S186 WeakPolarHBondContact O-CB 3.28Å; A182-S186 PolarHBondContact O-N 2.93Å; A182-S186 PolarHBondContact O-OG 3.49Å; A182-F210 HydrophobicContact CB-CE2 4.13Å; A182-Q213 HydrophobicContact CB-CB 3.67Å; A182-I214 HydrophobicContact CB-CG1 3.91Å
183S96.4Very high96.2Very high39 Ų3929.5 Ų29.527%0.27317%0.169SC..Hα-helixtrans-67.8-48.3177.5-1690000111.7S181 S186 K187S181-S183 PolarHBondContact O-N 2.78Å; S183-S186 PolarHBondContact O-N 2.71Å; S183-K187 VanDerWaalsContact O-CG 3.31Å; S183-K187 WeakPolarHBondContact O-CG 3.3Å; S183-K187 PolarHBondContact O-N 2.72Å
184E96.9Very high96.2Very high42 Ų4235.6 Ų35.620%0.19620%0.195CC..Hα-helixtrans-65.9-46.7-179-171.967.8175.100111.4L177 C178 D179 S181 S186 K187 A188L177-E184 HydrophobicContact CB-CG 4.39Å; L177-E184 HydrophobicContact CD2-CG 4.05Å; C178-E184 PolarHBondContact N-OE1 3.35Å; D179-E184 VanDerWaalsContact OD1-CB 3.22Å; D179-E184 WeakPolarHBondContact OD1-CB 3.17Å; S181-E184 PolarHBondContact O-N 2.7Å; S181-E184 WeakPolarHBondContact OG-CB 3.33Å; S181-E184 PolarHBondContact OG-N 3.13Å; E184-S186 VanDerWaalsContact C-N 3.32Å; E184-S186 PolarHBondContact O-N 3.24Å; E184-K187 PolarHBondContact O-N 3.5Å; E184-A188 PolarHBondContact O-N 3.25Å
185V97.4Very high96.1Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-59.8-42.6175.9172.70000111.2L147 I162 L177 S181 A188 I189 F210 I214L147-V185 HydrophobicContact CD1-CG2 4.21Å; L147-V185 HydrophobicContact CD2-CG2 4.05Å; I162-V185 HydrophobicContact CD1-CG1 4.19Å; L177-V185 HydrophobicContact CD1-CG2 4.17Å; S181-V185 WeakPolarHBondContact O-CG2 3.5Å; S181-V185 PolarHBondContact O-N 2.92Å; V185-A188 PolarHBondContact O-N 2.98Å; V185-I189 HydrophobicContact CG1-CD1 3.85Å; V185-I189 HydrophobicContact CG1-CG1 4.47Å; V185-I189 VanDerWaalsContact O-CG1 3.3Å; V185-I189 WeakPolarHBondContact O-CG1 3.43Å; V185-I189 PolarHBondContact O-N 3.01Å; V185-F210 HydrophobicContact CG2-CZ 4.3Å; V185-I214 HydrophobicContact CB-CD1 4.36Å; V185-I214 HydrophobicContact CG1-CD1 3.78Å; V185-I214 HydrophobicContact CG1-CG1 4.33Å
186S96.9Very high95.9Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-66.3-40.2179.3-60.90000112.5A182 S183 E184 A188 I189 I190 I214 E217A182-S186 WeakPolarHBondContact O-CB 3.28Å; A182-S186 PolarHBondContact O-N 2.93Å; A182-S186 PolarHBondContact O-OG 3.49Å; S183-S186 PolarHBondContact O-N 2.71Å; E184-S186 VanDerWaalsContact C-N 3.32Å; E184-S186 PolarHBondContact O-N 3.24Å; S186-A188 VanDerWaalsContact C-N 3.34Å; S186-I189 PolarHBondContact O-N 3.02Å; S186-I190 WeakPolarHBondContact O-CB 3.39Å; S186-I190 WeakPolarHBondContact O-CD1 3.34Å; S186-I190 VanDerWaalsContact O-CG1 3.24Å; S186-I190 WeakPolarHBondContact O-CG1 3.49Å; S186-I190 PolarHBondContact O-N 2.67Å; S186-I214 PolarHBondContact OG-O 2.81Å; S186-E217 VanDerWaalsContact OG-CB 3.31Å; S186-E217 WeakPolarHBondContact OG-CB 3.41Å
187K97.1Very high95.7Very high95 Ų9542.5 Ų42.541%0.41323%0.231SC..Hα-helixtrans-61.5-44174.5-71.5170-168.4167.30111.3S183 E184 I190 N191 L221S183-K187 VanDerWaalsContact O-CG 3.31Å; S183-K187 WeakPolarHBondContact O-CG 3.3Å; S183-K187 PolarHBondContact O-N 2.72Å; E184-K187 PolarHBondContact O-N 3.5Å; K187-I190 PolarHBondContact O-N 2.93Å; K187-N191 VanDerWaalsContact O-CG 3.3Å; K187-N191 PolarHBondContact O-N 3.04Å; K187-L221 HydrophobicContact CG-CD1 4.21Å
188A97.1Very high95.5Very high8 Ų845.3 Ų45.37%0.06625%0.25CC..Hα-helixtrans-62.8-44.3177.500000111.8I162 L175 L177 E184 V185 S186 I190 N191 I192I162-A188 HydrophobicContact CD1-CB 4.46Å; I162-A188 HydrophobicContact CG2-CB 4Å; L175-A188 HydrophobicContact CD1-CB 4.39Å; L177-A188 HydrophobicContact CD2-CB 3.56Å; E184-A188 PolarHBondContact O-N 3.25Å; V185-A188 PolarHBondContact O-N 2.98Å; S186-A188 VanDerWaalsContact C-N 3.34Å; A188-I190 VanDerWaalsContact C-N 3.34Å; A188-I190 PolarHBondContact O-N 3.28Å; A188-N191 PolarHBondContact O-N 2.93Å; A188-I192 WeakPolarHBondContact O-CG1 3.4Å; A188-I192 PolarHBondContact O-N 3.32Å
189I96.9Very high95.4Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-58.5-45.2174.4-71.6170.6000111.1I162 M164 V185 S186 N191 I192 F193 I202 I214 L218I162-I189 HydrophobicContact CD1-CG1 3.93Å; M164-I189 HydrophobicContact CE-CB 4.39Å; M164-I189 HydrophobicContact CE-CG1 3.94Å; M164-I189 HydrophobicContact CE-CG2 4.18Å; V185-I189 HydrophobicContact CG1-CD1 3.85Å; V185-I189 HydrophobicContact CG1-CG1 4.47Å; V185-I189 VanDerWaalsContact O-CG1 3.3Å; V185-I189 WeakPolarHBondContact O-CG1 3.43Å; V185-I189 PolarHBondContact O-N 3.01Å; S186-I189 PolarHBondContact O-N 3.02Å; I189-N191 VanDerWaalsContact C-N 3.35Å; I189-N191 PolarHBondContact O-N 3.18Å; I189-I192 WeakPolarHBondContact O-CB 3.22Å; I189-I192 PolarHBondContact O-N 2.82Å; I189-I192 VanDerWaalsContact O-N 3.14Å; I189-F193 HydrophobicContact CG2-CD1 4.14Å; I189-F193 HydrophobicContact CG2-CD2 4.42Å; I189-F193 HydrophobicContact CG2-CE1 3.44Å; I189-F193 VanDerWaalsContact CG2-CE1 3.44Å; I189-F193 HydrophobicContact CG2-CE2 3.78Å; I189-F193 HydrophobicContact CG2-CZ 3.25Å; I189-F193 VanDerWaalsContact O-CD1 3.31Å; I189-F193 WeakPolarHBondContact O-CD1 3.39Å; I189-F193 WeakPolarHBondContact O-CG 3.42Å; I189-F193 PolarHBondContact O-N 3.42Å; I189-I202 HydrophobicContact CG2-CD1 3.94Å; I189-I214 HydrophobicContact CD1-CG2 4.3Å; I189-L218 HydrophobicContact CB-CD2 4.28Å; I189-L218 HydrophobicContact CG2-CD1 4.49Å; I189-L218 HydrophobicContact CG2-CD2 3.89Å
190I96.3Very high95.1Very high10 Ų1046.9 Ų46.95%0.05125%0.25CC..Hα-helixtrans-64-39.3179-72.1165000111.8S186 K187 A188 I192 F193 F194 L218 L221 F222S186-I190 WeakPolarHBondContact O-CB 3.39Å; S186-I190 WeakPolarHBondContact O-CD1 3.34Å; S186-I190 VanDerWaalsContact O-CG1 3.24Å; S186-I190 WeakPolarHBondContact O-CG1 3.49Å; S186-I190 PolarHBondContact O-N 2.67Å; K187-I190 PolarHBondContact O-N 2.93Å; A188-I190 VanDerWaalsContact C-N 3.34Å; A188-I190 PolarHBondContact O-N 3.28Å; I190-I192 PolarHBondContact O-N 2.77Å; I190-F193 HydrophobicContact CG1-CD2 4.41Å; I190-F193 WeakPolarHBondContact O-CA 3.41Å; I190-F193 WeakPolarHBondContact O-CB 3.11Å; I190-F193 PolarHBondContact O-N 3.15Å; I190-F194 HydrophobicContact CG2-CD2 4.16Å; I190-F194 HydrophobicContact CG2-CE1 4.25Å; I190-F194 HydrophobicContact CG2-CE2 3.48Å; I190-F194 VanDerWaalsContact CG2-CE2 3.48Å; I190-F194 HydrophobicContact CG2-CZ 3.52Å; I190-F194 WeakPolarHBondContact O-CD2 3.4Å; I190-F194 PolarHBondContact O-N 2.96Å; I190-L218 HydrophobicContact CD1-CD2 3.98Å; I190-L218 HydrophobicContact CG1-CD2 3.72Å; I190-L221 HydrophobicContact CD1-CB 3.4Å; I190-L221 HydrophobicContact CD1-CD1 3.9Å; I190-L221 HydrophobicContact CD1-CG 4.3Å; I190-F222 HydrophobicContact CD1-CB 3.93Å; I190-F222 HydrophobicContact CG1-CB 4.04Å; I190-F222 HydrophobicContact CG1-CD2 4.18Å; I190-F222 HydrophobicContact CG1-CG 4.34Å; I190-F222 HydrophobicContact CG2-CD2 3.72Å; I190-F222 HydrophobicContact CG2-CE2 4.24Å
191N96.1Very high95Very high90 Ų9049.9 Ų49.948%0.48126%0.258SS..Hα-helixtrans-59.1-36.9174.9-72.5-17.8000111.6K187 A188 I189 F194K187-N191 VanDerWaalsContact O-CG 3.3Å; K187-N191 PolarHBondContact O-N 3.04Å; A188-N191 PolarHBondContact O-N 2.93Å; I189-N191 VanDerWaalsContact C-N 3.35Å; I189-N191 PolarHBondContact O-N 3.18Å; N191-F194 PolarHBondContact O-N 2.85Å
192I95.8Very high94.8Very high2 Ų247.6 Ų47.61%0.0124%0.242CC..Hα-helixtrans-69.3-39173.4-57.6172.6000110.6W140 M164 V173 L175 A188 I189 I190 F194 L195 Y196W140-I192 HydrophobicContact CH2-CG2 3.86Å; W140-I192 HydrophobicContact CZ2-CG2 3.81Å; M164-I192 HydrophobicContact CB-CD1 3.94Å; M164-I192 HydrophobicContact CE-CD1 3.93Å; M164-I192 HydrophobicContact SD-CB 4.32Å; M164-I192 HydrophobicContact SD-CD1 3.99Å; M164-I192 HydrophobicContact SD-CG2 3.73Å; V173-I192 HydrophobicContact CB-CD1 4.25Å; V173-I192 HydrophobicContact CG1-CD1 3.87Å; V173-I192 HydrophobicContact CG1-CG1 3.92Å; V173-I192 HydrophobicContact CG1-CG2 4.45Å; V173-I192 HydrophobicContact CG2-CG2 4.41Å; L175-I192 HydrophobicContact CD1-CD1 3.91Å; L175-I192 HydrophobicContact CD1-CG1 3.61Å; L175-I192 HydrophobicContact CG-CD1 4.46Å; L175-I192 HydrophobicContact CG-CG1 4.45Å; A188-I192 WeakPolarHBondContact O-CG1 3.4Å; A188-I192 PolarHBondContact O-N 3.32Å; I189-I192 WeakPolarHBondContact O-CB 3.22Å; I189-I192 PolarHBondContact O-N 2.82Å; I189-I192 VanDerWaalsContact O-N 3.14Å; I190-I192 PolarHBondContact O-N 2.77Å; I192-F194 VanDerWaalsContact C-N 3.25Å; I192-F194 PolarHBondContact O-N 2.87Å; I192-L195 PolarHBondContact O-N 3.08Å; I192-Y196 HydrophobicContact CG2-CD2 3.7Å; I192-Y196 HydrophobicContact CG2-CE2 4.2Å; I192-Y196 WeakPolarHBondContact O-CD2 3.4Å; I192-Y196 PolarHBondContact O-N 3.31Å; I192-Y196 VanDerWaalsContact O-N 3.09Å
193F95.3Very high94.5Very high5 Ų547.1 Ų47.12%0.02224%0.238CC..Hα-helixtrans-60.5-33.4175.8-65.1-7.8000113I189 I190 L195 G197 P198 P199 I202 L218 F222 I224 I227I189-F193 HydrophobicContact CG2-CD1 4.14Å; I189-F193 HydrophobicContact CG2-CD2 4.42Å; I189-F193 HydrophobicContact CG2-CE1 3.44Å; I189-F193 VanDerWaalsContact CG2-CE1 3.44Å; I189-F193 HydrophobicContact CG2-CE2 3.78Å; I189-F193 HydrophobicContact CG2-CZ 3.25Å; I189-F193 VanDerWaalsContact O-CD1 3.31Å; I189-F193 WeakPolarHBondContact O-CD1 3.39Å; I189-F193 WeakPolarHBondContact O-CG 3.42Å; I189-F193 PolarHBondContact O-N 3.42Å; I190-F193 HydrophobicContact CG1-CD2 4.41Å; I190-F193 WeakPolarHBondContact O-CA 3.41Å; I190-F193 WeakPolarHBondContact O-CB 3.11Å; I190-F193 PolarHBondContact O-N 3.15Å; F193-L195 PolarHBondContact O-N 2.7Å; F193-G197 WeakPolarHBondContact O-CA 3.45Å; F193-G197 PolarHBondContact O-N 3.19Å; F193-P198 HydrophobicContact CD1-CB 4.47Å; F193-P198 HydrophobicContact CD2-CB 4.15Å; F193-P198 HydrophobicContact CE2-CB 4.19Å; F193-P198 HydrophobicContact CG-CB 4.29Å; F193-P198 HydrophobicContact CZ-CB 4.36Å; F193-P199 HydrophobicContact CE1-CG 4.29Å; F193-I202 HydrophobicContact CE1-CD1 3.81Å; F193-I202 HydrophobicContact CZ-CD1 3.63Å; F193-L218 HydrophobicContact CE2-CD2 4.36Å; F193-F222 HydrophobicContact CB-CE2 4.24Å; F193-F222 HydrophobicContact CB-CZ 4.12Å; F193-F222 HydrophobicContact CD2-CD1 4.24Å; F193-F222 HydrophobicContact CD2-CE1 4.17Å; F193-F222 HydrophobicContact CD2-CE2 4.48Å; F193-F222 HydrophobicContact CD2-CG 4.45Å; F193-F222 HydrophobicContact CD2-CZ 4.28Å; F193-I224 HydrophobicContact CE2-CD1 4.38Å; F193-I227 HydrophobicContact CZ-CD1 4.13Å
194F95.1Very high94.1Very high140 Ų14045.3 Ų45.361%0.61423%0.225SC*.Hα-helixtrans-65.5-21.2175.8-65.9-43.5000113.5I190 N191 I192 F222I190-F194 HydrophobicContact CG2-CD2 4.16Å; I190-F194 HydrophobicContact CG2-CE1 4.25Å; I190-F194 HydrophobicContact CG2-CE2 3.48Å; I190-F194 VanDerWaalsContact CG2-CE2 3.48Å; I190-F194 HydrophobicContact CG2-CZ 3.52Å; I190-F194 WeakPolarHBondContact O-CD2 3.4Å; I190-F194 PolarHBondContact O-N 2.96Å; N191-F194 PolarHBondContact O-N 2.85Å; I192-F194 VanDerWaalsContact C-N 3.25Å; I192-F194 PolarHBondContact O-N 2.87Å; F194-F222 HydrophobicContact CD1-CE2 4.03Å; F194-F222 HydrophobicContact CE1-CD2 4.16Å; F194-F222 AromaticContact CE1-CE2 3.57Å; F194-F222 HydrophobicContact CE1-CE2 3.57Å; F194-F222 HydrophobicContact CZ-CD2 4.43Å; F194-F222 HydrophobicContact CZ-CE2 4.25Å
195L92.9Very high93.5Very high130 Ų13047.9 Ų47.968%0.68124%0.24SC*.Hα-helixtrans-93.4-40.4179.2-62.1176.4000112.7I192 F193I192-L195 PolarHBondContact O-N 3.08Å; F193-L195 PolarHBondContact O-N 2.7Å
196Y92.6Very high92.9Very high64 Ų6451.3 Ų51.325%0.25126%0.256SS..Hα-helixtrans-117.4-6.5-170.3-58.7-79.5000114.2W140 W171 V173 I192 M288 F289W140-Y196 HydrophobicContact CH2-CD2 4.02Å; W140-Y196 HydrophobicContact CH2-CG 4.09Å; W140-Y196 VanDerWaalsContact CZ2-CB 3.48Å; W140-Y196 AromaticContact CZ2-CD2 4Å; W140-Y196 HydrophobicContact CZ2-CD2 4Å; W140-Y196 AromaticContact CZ2-CG 3.89Å; W140-Y196 HydrophobicContact CZ2-CG 3.89Å; W171-Y196 AromaticContact CE2-CZ 3.94Å; W171-Y196 HydrophobicContact CZ2-CE1 4.36Å; W171-Y196 VanDerWaalsContact CZ2-OH 3.22Å; W171-Y196 WeakPolarHBondContact CZ2-OH 3.47Å; W171-Y196 AromaticContact NE1-CE1 3.53Å; W171-Y196 AromaticContact NE1-CZ 3.29Å; W171-Y196 VanDerWaalsContact NE1-CZ 3.29Å; W171-Y196 PolarHBondContact NE1-OH 3.32Å; V173-Y196 HydrophobicContact CG2-CE2 3.72Å; I192-Y196 HydrophobicContact CG2-CD2 3.7Å; I192-Y196 HydrophobicContact CG2-CE2 4.2Å; I192-Y196 WeakPolarHBondContact O-CD2 3.4Å; I192-Y196 PolarHBondContact O-N 3.31Å; I192-Y196 VanDerWaalsContact O-N 3.09Å; Y196-M288 HydrophobicContact CD1-CE 3.56Å; Y196-M288 HydrophobicContact CE1-CE 4.04Å; Y196-M288 HydrophobicContact CG-CE 4.48Å; Y196-F289 HydrophobicContact CE1-CZ 4.25Å
197G93.4Very high92.3Very high27 Ų2760 Ų6028%0.27829%0.289SS..  trans76.5167.9-164.600000112.5W140 F193W140-G197 PolarHBondContact NE1-O 2.87Å; F193-G197 WeakPolarHBondContact O-CA 3.45Å; F193-G197 PolarHBondContact O-N 3.19Å
198P93.6Very high91.8Very high59 Ų5960.5 Ų60.538%0.38330%0.296SS..  trans-71.7136.4172.330.6-34.4000110.6F193 I224 I227F193-P198 HydrophobicContact CD1-CB 4.47Å; F193-P198 HydrophobicContact CD2-CB 4.15Å; F193-P198 HydrophobicContact CE2-CB 4.19Å; F193-P198 HydrophobicContact CG-CB 4.29Å; F193-P198 HydrophobicContact CZ-CB 4.36Å; P198-I224 HydrophobicContact CB-CD1 3.43Å; P198-I224 VanDerWaalsContact CB-CD1 3.43Å; P198-I224 HydrophobicContact CG-CD1 3.74Å; P198-I227 HydrophobicContact CB-CD1 4.11Å
199P92.9Very high91.4Very high9 Ų966.5 Ų66.56%0.05832%0.323CS..  trans-71.2175.7171.532.6-36000111W140 V143 F193 I202 I227W140-P199 WeakPolarHBondContact O-CA 3.31Å; W140-P199 WeakPolarHBondContact O-CB 3.35Å; V143-P199 HydrophobicContact CG1-CB 3.97Å; V143-P199 HydrophobicContact CG1-CG 4.32Å; V143-P199 HydrophobicContact CG2-CB 4.15Å; V143-P199 HydrophobicContact CG2-CG 3.69Å; F193-P199 HydrophobicContact CE1-CG 4.29Å; P199-I202 HydrophobicContact CG-CD1 4.07Å; P199-I202 HydrophobicContact CG-CG1 3.58Å; P199-I227 HydrophobicContact CG-CD1 4.23Å; P199-I227 WeakPolarHBondContact O-CD1 2.98Å
200Q89.4Confident91.2Very high147 Ų14768 Ų6869%0.68733%0.329SS*.SBendtrans-73.3-38.6173.5-59.8-177.4-10.600111.4S141S141-Q200 WeakPolarHBondContact O-CA 3.44Å; S141-Q200 VanDerWaalsContact O-CB 3.27Å; S141-Q200 WeakPolarHBondContact O-CB 3.26Å; S141-Q200 PolarHBondContact O-N 3.01Å
201K90.8Very high91Very high119 Ų11967.9 Ų67.952%0.51733%0.329SS..EExtended strand (participates in β ladder)trans-147.5145.7178.5-68.2-179-176.8174.20111.4S141 L142 V143 I229S141-K201 PolarHBondContact O-N 2.83Å; S141-K201 VanDerWaalsContact O-N 3.16Å; L142-K201 HydrophobicContact CD1-CB 3.55Å; V143-K201 PolarHBondContact N-O 3.34Å; V143-K201 VanDerWaalsContact N-O 3.15Å; K201-I229 HydrophobicContact CD-CD1 4.4Å
202I91.8Very high90.8Very high0 Ų069.7 Ų69.70%034%0.335CS..EExtended strand (participates in β ladder)trans-114.1128.9171.9-58.2-179.7000108.3V143 V145 M164 I189 F193 P199 I227 V228 I229V143-I202 HydrophobicContact CG2-CB 4.16Å; V143-I202 HydrophobicContact CG2-CD1 4.46Å; V143-I202 HydrophobicContact CG2-CG1 3.63Å; V143-I202 HydrophobicContact CG2-CG2 4.19Å; V143-I202 CarbonylContact O-C 3.51Å; V143-I202 WeakPolarHBondContact O-CA 3.44Å; V145-I202 HydrophobicContact CB-CG2 4.15Å; V145-I202 HydrophobicContact CG2-CG2 3.53Å; M164-I202 HydrophobicContact CE-CD1 4.41Å; I189-I202 HydrophobicContact CG2-CD1 3.94Å; F193-I202 HydrophobicContact CE1-CD1 3.81Å; F193-I202 HydrophobicContact CZ-CD1 3.63Å; P199-I202 HydrophobicContact CG-CD1 4.07Å; P199-I202 HydrophobicContact CG-CG1 3.58Å; I202-I227 HydrophobicContact CD1-CG2 4.45Å; I202-I227 HydrophobicContact CG1-CG1 4.28Å; I202-I227 PolarHBondContact N-O 2.87Å; I202-V228 HydrophobicContact CB-CB 4.38Å; I202-V228 HydrophobicContact CB-CG1 4.3Å; I202-V228 HydrophobicContact CB-CG2 4.08Å; I202-V228 HydrophobicContact CD1-CG2 4.2Å; I202-V228 HydrophobicContact CG2-CG1 4.1Å; I202-V228 HydrophobicContact CG2-CG2 4.36Å; I202-V228 CarbonylContact O-C 3.59Å; I202-V228 WeakPolarHBondContact O-CA 3.41Å; I202-I229 WeakPolarHBondContact O-CG1 3.33Å; I202-I229 PolarHBondContact O-N 2.75Å
203I89.6Confident90.8Very high3 Ų374.7 Ų74.72%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-105.8126.6175.1-57.5-174.9000108.4L134 L142 V143 T144 V145 I229 H231 V236L134-I203 HydrophobicContact CD1-CD1 4.36Å; L142-I203 HydrophobicContact CD1-CD1 3.73Å; L142-I203 HydrophobicContact CD1-CG1 3.86Å; L142-I203 HydrophobicContact CD2-CD1 3.95Å; L142-I203 HydrophobicContact CG-CD1 4.04Å; L142-I203 HydrophobicContact CG-CG1 4.47Å; V143-I203 PolarHBondContact O-N 3.47Å; T144-I203 CarbonylContact C-O 3.58Å; T144-I203 VanDerWaalsContact CA-O 3.26Å; T144-I203 WeakPolarHBondContact CA-O 3.35Å; T144-I203 HydrophobicContact CG2-CB 4.25Å; V145-I203 PolarHBondContact N-O 3.3Å; I203-I229 WeakPolarHBondContact CA-O 3.11Å; I203-I229 HydrophobicContact CD1-CD1 4.48Å; I203-I229 HydrophobicContact CG1-CD1 4.05Å; I203-I229 HydrophobicContact CG1-CG1 3.95Å; I203-H231 HydrophobicContact CG2-CB 4.23Å; I203-V236 HydrophobicContact CD1-CG2 3.25Å; I203-V236 HydrophobicContact CG2-CG2 4.37Å
204M88.9Confident90.8Very high2 Ų274.5 Ų74.51%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-133.6134.1178.6-166.2175.368.100109.9V145 Q206 F210 I211 I214 V228 I229 S230 H231V145-M204 HydrophobicContact CB-CB 4.3Å; V145-M204 HydrophobicContact CB-CG 4.06Å; V145-M204 HydrophobicContact CB-SD 4.27Å; V145-M204 HydrophobicContact CG1-CG 4.04Å; V145-M204 HydrophobicContact CG1-SD 3.74Å; V145-M204 WeakPolarHBondContact O-CG 3.4Å; M204-Q206 VanDerWaalsContact C-N 3.27Å; M204-Q206 HydrophobicContact CE-CB 3.83Å; M204-Q206 HydrophobicContact CE-CG 3.63Å; M204-Q206 HydrophobicContact CG-CG 3.91Å; M204-Q206 PolarHBondContact O-N 3.01Å; M204-Q206 HydrophobicContact SD-CG 4.14Å; M204-F210 HydrophobicContact CE-CD1 3.76Å; M204-F210 HydrophobicContact CE-CE1 3.81Å; M204-I211 HydrophobicContact CB-CD1 3.77Å; M204-I211 HydrophobicContact CE-CD1 3.38Å; M204-I211 HydrophobicContact CE-CG1 4.4Å; M204-I211 HydrophobicContact CG-CD1 4.45Å; M204-I214 HydrophobicContact CE-CD1 3.22Å; M204-I214 HydrophobicContact SD-CD1 4.14Å; M204-V228 HydrophobicContact CB-CG1 4.08Å; M204-I229 PolarHBondContact N-O 3.31Å; M204-S230 WeakPolarHBondContact O-CA 3.44Å; M204-H231 PolarHBondContact O-N 2.85Å; M204-H231 VanDerWaalsContact O-N 3.17Å
205D84.8Confident90.9Very high95 Ų9568.6 Ų68.651%0.50833%0.332SS..  trans-8473178.9-169.622.3000110.7H231D205-H231 HydrophobicContact CB-CB 3.98Å
206Q84.2Confident91Very high72 Ų7267 Ų6734%0.33632%0.323SS..SBendtrans-138.9164.5178.2-66.1-64.4-28.800110.9M204 F210 I211 S230M204-Q206 VanDerWaalsContact C-N 3.27Å; M204-Q206 HydrophobicContact CE-CB 3.83Å; M204-Q206 HydrophobicContact CE-CG 3.63Å; M204-Q206 HydrophobicContact CG-CG 3.91Å; M204-Q206 PolarHBondContact O-N 3.01Å; M204-Q206 HydrophobicContact SD-CG 4.14Å; Q206-F210 HydrophobicContact CB-CD1 3.81Å; Q206-F210 HydrophobicContact CG-CD1 3.83Å; Q206-F210 HydrophobicContact CG-CE1 4.16Å; Q206-I211 HydrophobicContact CB-CD1 4.21Å; Q206-I211 HydrophobicContact CB-CG1 4.35Å; Q206-S230 PolarHBondContact O-OG 3.03Å
207R83.8Confident91.2Very high184 Ų18466 Ų6669%0.69432%0.321SS*.  trans-62.6143.2175.6-63.5-174.3-68.71700110.7E209 F210 I211R207-E209 PolarHBondContact O-N 3.43Å; R207-E209 VanDerWaalsContact O-N 3.14Å; R207-F210 WeakPolarHBondContact O-CB 3.3Å; R207-F210 PolarHBondContact O-N 3.07Å; R207-I211 WeakPolarHBondContact O-CG1 3.17Å; R207-I211 PolarHBondContact O-N 3.19Å; R207-I211 VanDerWaalsContact O-N 3.16Å
208D86.6Confident91.3Very high104 Ų10464.7 Ų64.756%0.55631%0.307SS*.Hα-helixtrans-56-34.4-176.8-64.7-33.9000113.4F210 I211 Q212 S230D208-F210 VanDerWaalsContact C-N 3.34Å; D208-F210 PolarHBondContact O-N 3.18Å; D208-I211 WeakPolarHBondContact O-CB 3.26Å; D208-I211 PolarHBondContact O-N 2.7Å; D208-Q212 WeakPolarHBondContact O-CB 3.28Å; D208-Q212 PolarHBondContact O-N 2.99Å; D208-S230 WeakPolarHBondContact OD1-CB 3.47Å
209E89.6Confident91.3Very high134 Ų13467.6 Ų67.663%0.62631%0.311SS*.Hα-helixtrans-58.3-44175.2-66.2173.817800112.1R207 Q212 Q213R207-E209 PolarHBondContact O-N 3.43Å; R207-E209 VanDerWaalsContact O-N 3.14Å; E209-Q212 PolarHBondContact O-N 2.99Å; E209-Q213 WeakPolarHBondContact O-CG 3.48Å; E209-Q213 PolarHBondContact O-N 3.11Å; E209-Q213 VanDerWaalsContact O-N 3.11Å
210F91.3Very high91.4Very high31 Ų3174.2 Ų74.214%0.13634%0.335CS..Hα-helixtrans-72.1-39.2179.4-175.7-116.9000111.5L147 V180 A182 V185 M204 Q206 R207 D208 Q212 Q213 I214L147-F210 HydrophobicContact CD1-CE1 4.16Å; V180-F210 WeakPolarHBondContact O-CE2 3.37Å; V180-F210 WeakPolarHBondContact O-CZ 3.29Å; A182-F210 HydrophobicContact CB-CE2 4.13Å; V185-F210 HydrophobicContact CG2-CZ 4.3Å; M204-F210 HydrophobicContact CE-CD1 3.76Å; M204-F210 HydrophobicContact CE-CE1 3.81Å; Q206-F210 HydrophobicContact CB-CD1 3.81Å; Q206-F210 HydrophobicContact CG-CD1 3.83Å; Q206-F210 HydrophobicContact CG-CE1 4.16Å; R207-F210 WeakPolarHBondContact O-CB 3.3Å; R207-F210 PolarHBondContact O-N 3.07Å; D208-F210 VanDerWaalsContact C-N 3.34Å; D208-F210 PolarHBondContact O-N 3.18Å; F210-Q212 VanDerWaalsContact C-N 3.28Å; F210-Q212 PolarHBondContact O-N 3.02Å; F210-Q213 PolarHBondContact O-N 2.68Å; F210-I214 HydrophobicContact CD1-CD1 3.75Å; F210-I214 HydrophobicContact CE1-CD1 3.41Å; F210-I214 VanDerWaalsContact CE1-CD1 3.41Å; F210-I214 HydrophobicContact CE1-CG1 4.43Å; F210-I214 HydrophobicContact CE2-CD1 4.38Å; F210-I214 HydrophobicContact CG-CD1 4.39Å; F210-I214 HydrophobicContact CZ-CD1 3.75Å; F210-I214 HydrophobicContact CZ-CG1 4.38Å; F210-I214 PolarHBondContact O-N 2.91Å
211I92.2Very high91.6Very high9 Ų970.6 Ų70.65%0.04632%0.32CS..Hα-helixtrans-58.7-42173.1-61.2-77000110.7M204 Q206 R207 D208 I214 N215 V228M204-I211 HydrophobicContact CB-CD1 3.77Å; M204-I211 HydrophobicContact CE-CD1 3.38Å; M204-I211 HydrophobicContact CE-CG1 4.4Å; M204-I211 HydrophobicContact CG-CD1 4.45Å; Q206-I211 HydrophobicContact CB-CD1 4.21Å; Q206-I211 HydrophobicContact CB-CG1 4.35Å; R207-I211 WeakPolarHBondContact O-CG1 3.17Å; R207-I211 PolarHBondContact O-N 3.19Å; R207-I211 VanDerWaalsContact O-N 3.16Å; D208-I211 WeakPolarHBondContact O-CB 3.26Å; D208-I211 PolarHBondContact O-N 2.7Å; I211-I214 PolarHBondContact O-N 3.04Å; I211-N215 PolarHBondContact O-N 3.23Å; I211-N215 PolarHBondContact O-ND2 3.27Å; I211-V228 HydrophobicContact CD1-CG1 3.73Å; I211-V228 HydrophobicContact CG2-CB 4.22Å; I211-V228 HydrophobicContact CG2-CG1 4.14Å; I211-V228 WeakPolarHBondContact CG2-O 3.48Å
212Q93Very high91.6Very high128 Ų12868.2 Ų68.260%0.59831%0.31SS*.Hα-helixtrans-64-44.2177-173.3179.11800111.4D208 E209 F210 I214 N215 I216D208-Q212 WeakPolarHBondContact O-CB 3.28Å; D208-Q212 PolarHBondContact O-N 2.99Å; E209-Q212 PolarHBondContact O-N 2.99Å; F210-Q212 VanDerWaalsContact C-N 3.28Å; F210-Q212 PolarHBondContact O-N 3.02Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 PolarHBondContact O-N 3.22Å; Q212-N215 PolarHBondContact O-N 2.86Å; Q212-I216 HydrophobicContact CG-CD1 4.14Å; Q212-I216 VanDerWaalsContact O-CG1 3.31Å; Q212-I216 WeakPolarHBondContact O-CG1 3.38Å; Q212-I216 PolarHBondContact O-N 3.11Å
213Q95.6Very high91.5Very high107 Ų10770.5 Ų70.550%0.533%0.334SS..Hα-helixtrans-59.5-44.1175.9-71.4175.3-20.600112.1A182 E209 F210 I216 E217A182-Q213 HydrophobicContact CB-CB 3.67Å; E209-Q213 WeakPolarHBondContact O-CG 3.48Å; E209-Q213 PolarHBondContact O-N 3.11Å; E209-Q213 VanDerWaalsContact O-N 3.11Å; F210-Q213 PolarHBondContact O-N 2.68Å; Q213-I216 PolarHBondContact O-N 3.16Å; Q213-E217 PolarHBondContact O-N 3.45Å
214I95.9Very high91.4Very high0 Ų072.2 Ų72.20%034%0.342CS..Hα-helixtrans-61.8-46.7175.4-73.4164.8000110.9A182 V185 S186 I189 M204 F210 I211 Q212 I216 E217 L218 V228A182-I214 HydrophobicContact CB-CG1 3.91Å; V185-I214 HydrophobicContact CB-CD1 4.36Å; V185-I214 HydrophobicContact CG1-CD1 3.78Å; V185-I214 HydrophobicContact CG1-CG1 4.33Å; S186-I214 PolarHBondContact OG-O 2.81Å; I189-I214 HydrophobicContact CD1-CG2 4.3Å; M204-I214 HydrophobicContact CE-CD1 3.22Å; M204-I214 HydrophobicContact SD-CD1 4.14Å; F210-I214 HydrophobicContact CD1-CD1 3.75Å; F210-I214 HydrophobicContact CE1-CD1 3.41Å; F210-I214 VanDerWaalsContact CE1-CD1 3.41Å; F210-I214 HydrophobicContact CE1-CG1 4.43Å; F210-I214 HydrophobicContact CE2-CD1 4.38Å; F210-I214 HydrophobicContact CG-CD1 4.39Å; F210-I214 HydrophobicContact CZ-CD1 3.75Å; F210-I214 HydrophobicContact CZ-CG1 4.38Å; F210-I214 PolarHBondContact O-N 2.91Å; I211-I214 PolarHBondContact O-N 3.04Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-I214 PolarHBondContact O-N 3.22Å; I214-I216 VanDerWaalsContact C-N 3.26Å; I214-I216 PolarHBondContact O-N 3.34Å; I214-E217 PolarHBondContact O-N 3.09Å; I214-E217 VanDerWaalsContact O-N 3.14Å; I214-L218 HydrophobicContact CG2-CD1 3.76Å; I214-L218 HydrophobicContact CG2-CG 4.09Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 WeakPolarHBondContact O-CG 3.24Å; I214-L218 PolarHBondContact O-N 3.5Å; I214-V228 HydrophobicContact CG2-CG2 3.93Å
215N95.3Very high91.2Very high17 Ų1779.2 Ų79.29%0.09137%0.373CS..Hα-helixtrans-62.1-33.6178.4-80.5-58.7000112.9I211 Q212 Y219 Q226 I227 V228I211-N215 PolarHBondContact O-N 3.23Å; I211-N215 PolarHBondContact O-ND2 3.27Å; Q212-N215 PolarHBondContact O-N 2.86Å; N215-Y219 WeakPolarHBondContact O-CB 3.34Å; N215-Y219 PolarHBondContact O-N 3.37Å; N215-Q226 VanDerWaalsContact OD1-CA 3.3Å; N215-Q226 WeakPolarHBondContact OD1-CA 3.29Å; N215-I227 PolarHBondContact OD1-N 3.38Å; N215-V228 PolarHBondContact ND2-O 2.88Å; N215-V228 PolarHBondContact OD1-N 2.95Å
216I95.6Very high91.1Very high96 Ų9682.7 Ų82.749%0.49239%0.386SS..Hα-helixtrans-65.4-46.3173.3-70.4165000110.4Q212 Q213 I214 Y219 R220Q212-I216 HydrophobicContact CG-CD1 4.14Å; Q212-I216 VanDerWaalsContact O-CG1 3.31Å; Q212-I216 WeakPolarHBondContact O-CG1 3.38Å; Q212-I216 PolarHBondContact O-N 3.11Å; Q213-I216 PolarHBondContact O-N 3.16Å; I214-I216 VanDerWaalsContact C-N 3.26Å; I214-I216 PolarHBondContact O-N 3.34Å; I216-Y219 PolarHBondContact O-N 3.44Å; I216-R220 WeakPolarHBondContact O-CB 3.31Å; I216-R220 PolarHBondContact O-N 2.8Å
217E96.1Very high91.3Very high43 Ų4379.7 Ų79.720%0.20137%0.372CS..Hα-helixtrans-66.2-41.5178.2-77.5-60.3146.800112.6S186 Q213 I214 Y219 R220 L221S186-E217 VanDerWaalsContact OG-CB 3.31Å; S186-E217 WeakPolarHBondContact OG-CB 3.41Å; Q213-E217 PolarHBondContact O-N 3.45Å; I214-E217 PolarHBondContact O-N 3.09Å; I214-E217 VanDerWaalsContact O-N 3.14Å; E217-Y219 VanDerWaalsContact C-N 3.31Å; E217-Y219 PolarHBondContact O-N 2.99Å; E217-R220 PolarHBondContact O-N 2.99Å; E217-R220 IonicContact OE1-NE 2.92Å; E217-R220 IonicContact OE2-CZ 2.81Å; E217-R220 VanDerWaalsContact OE2-CZ 3.28Å; E217-R220 IonicContact OE2-NE 2.74Å; E217-R220 PolarHBondContact OE2-NE 3.14Å; E217-R220 IonicContact OE2-NH2 3.03Å; E217-R220 PolarHBondContact OE2-NH2 3.42Å; E217-L221 WeakPolarHBondContact O-CB 3.43Å; E217-L221 WeakPolarHBondContact O-CG 3.49Å; E217-L221 PolarHBondContact O-N 3.01Å
218L95.7Very high91.6Very high0 Ų071.1 Ų71.10%034%0.34CS..Hα-helixtrans-60.6-40.9173.5-70.7176000111.6I189 I190 F193 I214 F222 G223 I227 V228I189-L218 HydrophobicContact CB-CD2 4.28Å; I189-L218 HydrophobicContact CG2-CD1 4.49Å; I189-L218 HydrophobicContact CG2-CD2 3.89Å; I190-L218 HydrophobicContact CD1-CD2 3.98Å; I190-L218 HydrophobicContact CG1-CD2 3.72Å; F193-L218 HydrophobicContact CE2-CD2 4.36Å; I214-L218 HydrophobicContact CG2-CD1 3.76Å; I214-L218 HydrophobicContact CG2-CG 4.09Å; I214-L218 WeakPolarHBondContact O-CB 3.48Å; I214-L218 WeakPolarHBondContact O-CG 3.24Å; I214-L218 PolarHBondContact O-N 3.5Å; L218-F222 WeakPolarHBondContact O-CA 3.49Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 2.65Å; L218-G223 PolarHBondContact O-N 2.81Å; L218-I227 HydrophobicContact CD1-CG2 3.7Å; L218-V228 HydrophobicContact CD1-CG2 3.59Å
219Y95.1Very high91.7Very high119 Ų11968.6 Ų68.647%0.46733%0.326SS..Hα-helixtrans-64.2-43.7174.4-179.3-116.4000111.6N215 I216 E217 G223 I224 K225N215-Y219 WeakPolarHBondContact O-CB 3.34Å; N215-Y219 PolarHBondContact O-N 3.37Å; I216-Y219 PolarHBondContact O-N 3.44Å; E217-Y219 VanDerWaalsContact C-N 3.31Å; E217-Y219 PolarHBondContact O-N 2.99Å; Y219-G223 WeakPolarHBondContact O-CA 3.1Å; Y219-G223 PolarHBondContact O-N 3.16Å; Y219-I224 WeakPolarHBondContact CA-O 3.4Å; Y219-I224 WeakPolarHBondContact CB-O 3.14Å; Y219-I224 PolarHBondContact N-O 2.8Å; Y219-K225 HydrophobicContact CD2-CD 4.37Å; Y219-K225 HydrophobicContact CD2-CG 3.44Å; Y219-K225 VanDerWaalsContact CD2-CG 3.44Å; Y219-K225 HydrophobicContact CE2-CD 4.1Å; Y219-K225 HydrophobicContact CE2-CG 3.62Å; Y219-K225 HydrophobicContact CG-CG 4.23Å
220R94.9Very high91.3Very high148 Ų14862.7 Ų62.756%0.55830%0.3SS*.Hα-helixtrans-65-41.8-179.8-169.4-172.768.175.8-0.6112.8I216 E217I216-R220 WeakPolarHBondContact O-CB 3.31Å; I216-R220 PolarHBondContact O-N 2.8Å; E217-R220 PolarHBondContact O-N 2.99Å; E217-R220 IonicContact OE1-NE 2.92Å; E217-R220 IonicContact OE2-CZ 2.81Å; E217-R220 VanDerWaalsContact OE2-CZ 3.28Å; E217-R220 IonicContact OE2-NE 2.74Å; E217-R220 PolarHBondContact OE2-NE 3.14Å; E217-R220 IonicContact OE2-NH2 3.03Å; E217-R220 PolarHBondContact OE2-NH2 3.42Å
221L92.3Very high90.1Very high71 Ų7162.7 Ų62.737%0.37230%0.3SS..Hα-helixtrans-89.6-30.9-173.5-70.8173.2000113.6K187 I190 E217K187-L221 HydrophobicContact CG-CD1 4.21Å; I190-L221 HydrophobicContact CD1-CB 3.4Å; I190-L221 HydrophobicContact CD1-CD1 3.9Å; I190-L221 HydrophobicContact CD1-CG 4.3Å; E217-L221 WeakPolarHBondContact O-CB 3.43Å; E217-L221 WeakPolarHBondContact O-CG 3.49Å; E217-L221 PolarHBondContact O-N 3.01Å
222F92.1Very high88.3Confident70 Ų7067.5 Ų67.531%0.30733%0.33SS..Hα-helixtrans-129.8-10.7-170.7-160-91.5000113.7I190 F193 F194 L218 I224I190-F222 HydrophobicContact CD1-CB 3.93Å; I190-F222 HydrophobicContact CG1-CB 4.04Å; I190-F222 HydrophobicContact CG1-CD2 4.18Å; I190-F222 HydrophobicContact CG1-CG 4.34Å; I190-F222 HydrophobicContact CG2-CD2 3.72Å; I190-F222 HydrophobicContact CG2-CE2 4.24Å; F193-F222 HydrophobicContact CB-CE2 4.24Å; F193-F222 HydrophobicContact CB-CZ 4.12Å; F193-F222 HydrophobicContact CD2-CD1 4.24Å; F193-F222 HydrophobicContact CD2-CE1 4.17Å; F193-F222 HydrophobicContact CD2-CE2 4.48Å; F193-F222 HydrophobicContact CD2-CG 4.45Å; F193-F222 HydrophobicContact CD2-CZ 4.28Å; F194-F222 HydrophobicContact CD1-CE2 4.03Å; F194-F222 HydrophobicContact CE1-CD2 4.16Å; F194-F222 AromaticContact CE1-CE2 3.57Å; F194-F222 HydrophobicContact CE1-CE2 3.57Å; F194-F222 HydrophobicContact CZ-CD2 4.43Å; F194-F222 HydrophobicContact CZ-CE2 4.25Å; L218-F222 WeakPolarHBondContact O-CA 3.49Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 2.65Å; F222-I224 HydrophobicContact CD1-CB 4.49Å; F222-I224 HydrophobicContact CD1-CD1 3.42Å; F222-I224 VanDerWaalsContact CD1-CD1 3.42Å; F222-I224 HydrophobicContact CD1-CG1 3.76Å; F222-I224 HydrophobicContact CE1-CD1 3.51Å; F222-I224 HydrophobicContact CE1-CG1 4.2Å
223G90Very high86.1Confident48 Ų4864.5 Ų64.550%0.49532%0.323SS..  trans82.94.9176.900000115.6L218 Y219L218-G223 PolarHBondContact O-N 2.81Å; Y219-G223 WeakPolarHBondContact O-CA 3.1Å; Y219-G223 PolarHBondContact O-N 3.16Å
224I86.3Confident83.8Confident38 Ų3861.9 Ų61.920%0.19533%0.325CS..  trans-89.9133.5179.5-73174.3000111.3F193 P198 Y219 F222 I227F193-I224 HydrophobicContact CE2-CD1 4.38Å; P198-I224 HydrophobicContact CB-CD1 3.43Å; P198-I224 VanDerWaalsContact CB-CD1 3.43Å; P198-I224 HydrophobicContact CG-CD1 3.74Å; Y219-I224 WeakPolarHBondContact CA-O 3.4Å; Y219-I224 WeakPolarHBondContact CB-O 3.14Å; Y219-I224 PolarHBondContact N-O 2.8Å; F222-I224 HydrophobicContact CD1-CB 4.49Å; F222-I224 HydrophobicContact CD1-CD1 3.42Å; F222-I224 VanDerWaalsContact CD1-CD1 3.42Å; F222-I224 HydrophobicContact CD1-CG1 3.76Å; F222-I224 HydrophobicContact CE1-CD1 3.51Å; F222-I224 HydrophobicContact CE1-CG1 4.2Å; I224-I227 HydrophobicContact CG2-CB 3.69Å; I224-I227 HydrophobicContact CG2-CD1 4.12Å; I224-I227 HydrophobicContact CG2-CG1 4.46Å; I224-I227 HydrophobicContact CG2-CG2 3.82Å
225K85.4Confident81.5Confident150 Ų15063.5 Ų63.565%0.65234%0.335SS*.  trans-99.3129.6178.1-64.9-177.5179.9-178.60111.2Y219 I227Y219-K225 HydrophobicContact CD2-CD 4.37Å; Y219-K225 HydrophobicContact CD2-CG 3.44Å; Y219-K225 VanDerWaalsContact CD2-CG 3.44Å; Y219-K225 HydrophobicContact CE2-CD 4.1Å; Y219-K225 HydrophobicContact CE2-CG 3.62Å; Y219-K225 HydrophobicContact CG-CG 4.23Å; K225-I227 PolarHBondContact O-N 2.77Å
226Q81.9Confident79.2Confident167 Ų16763 Ų6378%0.7833%0.332SS*.SBendtrans5247.4162-61.9-174.8-8.300115.4N215N215-Q226 VanDerWaalsContact OD1-CA 3.3Å; N215-Q226 WeakPolarHBondContact OD1-CA 3.29Å
227I88.8Confident76.8Confident10 Ų1059.5 Ų59.55%0.05132%0.316CS..  trans-85-25.9178.3-168.9171.8000113F193 P198 P199 I202 N215 L218 I224 K225F193-I227 HydrophobicContact CZ-CD1 4.13Å; P198-I227 HydrophobicContact CB-CD1 4.11Å; P199-I227 HydrophobicContact CG-CD1 4.23Å; P199-I227 WeakPolarHBondContact O-CD1 2.98Å; I202-I227 HydrophobicContact CD1-CG2 4.45Å; I202-I227 HydrophobicContact CG1-CG1 4.28Å; I202-I227 PolarHBondContact N-O 2.87Å; N215-I227 PolarHBondContact OD1-N 3.38Å; L218-I227 HydrophobicContact CD1-CG2 3.7Å; I224-I227 HydrophobicContact CG2-CB 3.69Å; I224-I227 HydrophobicContact CG2-CD1 4.12Å; I224-I227 HydrophobicContact CG2-CG1 4.46Å; I224-I227 HydrophobicContact CG2-CG2 3.82Å; K225-I227 PolarHBondContact O-N 2.77Å
228V89.8Confident74.2Confident4 Ų461.6 Ų61.62%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-95.6131.6-177.9-167.30000110.9I202 M204 I211 I214 N215 L218I202-V228 HydrophobicContact CB-CB 4.38Å; I202-V228 HydrophobicContact CB-CG1 4.3Å; I202-V228 HydrophobicContact CB-CG2 4.08Å; I202-V228 HydrophobicContact CD1-CG2 4.2Å; I202-V228 HydrophobicContact CG2-CG1 4.1Å; I202-V228 HydrophobicContact CG2-CG2 4.36Å; I202-V228 CarbonylContact O-C 3.59Å; I202-V228 WeakPolarHBondContact O-CA 3.41Å; M204-V228 HydrophobicContact CB-CG1 4.08Å; I211-V228 HydrophobicContact CD1-CG1 3.73Å; I211-V228 HydrophobicContact CG2-CB 4.22Å; I211-V228 HydrophobicContact CG2-CG1 4.14Å; I211-V228 WeakPolarHBondContact CG2-O 3.48Å; I214-V228 HydrophobicContact CG2-CG2 3.93Å; N215-V228 PolarHBondContact ND2-O 2.88Å; N215-V228 PolarHBondContact OD1-N 2.95Å; L218-V228 HydrophobicContact CD1-CG2 3.59Å
229I88.5Confident71.6Confident50 Ų5069.8 Ų69.826%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-128.4150.5179.160.2169.5000111.8K201 I202 I203 M204K201-I229 HydrophobicContact CD-CD1 4.4Å; I202-I229 WeakPolarHBondContact O-CG1 3.33Å; I202-I229 PolarHBondContact O-N 2.75Å; I203-I229 WeakPolarHBondContact CA-O 3.11Å; I203-I229 HydrophobicContact CD1-CD1 4.48Å; I203-I229 HydrophobicContact CG1-CD1 4.05Å; I203-I229 HydrophobicContact CG1-CG1 3.95Å; M204-I229 PolarHBondContact N-O 3.31Å
230S82.6Confident69.5Low10 Ų1067.1 Ų67.17%0.0737%0.366CS..EExtended strand (participates in β ladder)trans-76.7143.9177.4-176.20000112.5M204 Q206 D208 T232 S233M204-S230 WeakPolarHBondContact O-CA 3.44Å; Q206-S230 PolarHBondContact O-OG 3.03Å; D208-S230 WeakPolarHBondContact OD1-CB 3.47Å; S230-T232 PolarHBondContact O-N 3.43Å; S230-T232 PolarHBondContact OG-OG1 3.37Å; S230-S233 PolarHBondContact O-N 2.92Å; S230-S233 PolarHBondContact O-OG 2.81Å
231H65.9Low67.4Low32 Ų3261.8 Ų61.815%0.14835%0.35CS..G310 helixtrans-61.5-20.1176.9-171-87.8000113.7I203 M204 D205 S233I203-H231 HydrophobicContact CG2-CB 4.23Å; M204-H231 PolarHBondContact O-N 2.85Å; M204-H231 VanDerWaalsContact O-N 3.17Å; D205-H231 HydrophobicContact CB-CB 3.98Å; H231-S233 PolarHBondContact O-N 3.36Å
232T54.1Low65.8Low109 Ų10958.5 Ų58.567%0.66933%0.333SS*.G310 helixtrans-66.6-7.1-179.3600000114.6S230 G234S230-T232 PolarHBondContact O-N 3.43Å; S230-T232 PolarHBondContact OG-OG1 3.37Å; T232-G234 PolarHBondContact O-N 2.9Å; T232-G234 VanDerWaalsContact O-N 3.09Å
233S46.9Very low64.6Low66 Ų6657 Ų5746%0.46233%0.33SS..G310 helixtrans-76.314.7-177.351.50000115.4S230 H231 T235S230-S233 PolarHBondContact O-N 2.92Å; S230-S233 PolarHBondContact O-OG 2.81Å; H231-S233 PolarHBondContact O-N 3.36Å; S233-T235 PolarHBondContact O-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.43Å
234G46.6Very low63.8Low52 Ų5259.1 Ų59.154%0.53634%0.337SS..SBendtrans67.516.8175.100000114.1T232T232-G234 PolarHBondContact O-N 2.9Å; T232-G234 VanDerWaalsContact O-N 3.09Å
235T47.4Very low63.5Low33 Ų3358.5 Ų58.520%0.20234%0.335CS..  trans-94.7-28.2-167.531.20000113.4L134 S233L134-T235 HydrophobicContact CD1-CG2 4.04Å; L134-T235 WeakPolarHBondContact CD1-O 3.43Å; L134-T235 WeakPolarHBondContact CG-O 3.49Å; S233-T235 PolarHBondContact O-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.43Å
236V46.9Very low63.6Low7 Ų751.3 Ų51.34%0.04230%0.304CS..SBendtrans-127.3134.5-177.5-176.60000110.5L134 L167 I203 E240L134-V236 HydrophobicContact CD1-CG2 4.16Å; L167-V236 HydrophobicContact CD1-CG2 4.49Å; I203-V236 HydrophobicContact CD1-CG2 3.25Å; I203-V236 HydrophobicContact CG2-CG2 4.37Å; V236-E240 HydrophobicContact CG1-CB 4.11Å
237S44.6Very low63.9Low22 Ų2246.1 Ų46.115%0.15428%0.279CS..  trans-63.4134.4169.7175.50000108.4M239 E240S237-M239 PolarHBondContact O-N 3.49Å; S237-E240 PolarHBondContact O-N 3.39Å
238P41.5Very low63.9Low87 Ų8748.7 Ų48.757%0.56530%0.302SS*.G310 helixtrans-51.5-20.3176.7-24.931.9000114.4E240 T241P238-E240 VanDerWaalsContact C-N 3.34Å; P238-T241 PolarHBondContact O-OG1 2.85Å
239M41.1Very low63.9Low173 Ų17349.5 Ų49.585%0.85231%0.305SS*.G310 helixtrans-73.4-14.3177.3-94172.363.900115.2S237S237-M239 PolarHBondContact O-N 3.49Å
240E51.2Low64Low62 Ų6247.2 Ų47.229%0.2929%0.293SS..G310 helixtrans-114.318.1-173-63.6-172-167.400113.8L167 V236 S237 P238L167-E240 WeakPolarHBondContact CD2-O 3.41Å; V236-E240 HydrophobicContact CG1-CB 4.11Å; S237-E240 PolarHBondContact O-N 3.39Å; P238-E240 VanDerWaalsContact C-N 3.34Å
241T51.8Low64.4Low37 Ų3749.9 Ų49.923%0.22731%0.312CS..SBendtrans-76.3158.9161.956.80000109.3P238P238-T241 PolarHBondContact O-OG1 2.85Å
242T58.5Low65.6Low1 Ų155.2 Ų55.21%0.00634%0.335CS..SBendtrans-27.4124.6-178.4-63.60000111.9D146 I163 T165 S244 I246 K247D146-T242 WeakPolarHBondContact OD2-CB 3.39Å; D146-T242 PolarHBondContact OD2-N 2.98Å; D146-T242 PolarHBondContact OD2-OG1 3.15Å; I163-T242 HydrophobicContact CB-CG2 4.44Å; I163-T242 HydrophobicContact CD1-CG2 4.29Å; I163-T242 HydrophobicContact CG2-CG2 3.65Å; T165-T242 PolarHBondContact OG1-OG1 3.03Å; T242-S244 PolarHBondContact O-N 2.99Å; T242-S244 VanDerWaalsContact O-N 3.08Å; T242-I246 HydrophobicContact CG2-CB 4.03Å; T242-I246 HydrophobicContact CG2-CD1 4.12Å; T242-I246 HydrophobicContact CG2-CG2 4.3Å; T242-K247 HydrophobicContact CG2-CG 4.31Å
243P66.1Low67.3Low38 Ų3850.8 Ų50.825%0.24731%0.306CS..  trans-46.4124.1-173-25.828.6000109.9T245 I246 L277P243-T245 PolarHBondContact O-N 3.41Å; P243-I246 HydrophobicContact CB-CD1 4.33Å; P243-I246 HydrophobicContact CB-CG1 4.17Å; P243-I246 HydrophobicContact CG-CD1 3.98Å; P243-I246 HydrophobicContact CG-CG1 4.37Å; P243-I246 WeakPolarHBondContact O-CB 3.47Å; P243-I246 PolarHBondContact O-N 2.83Å; P243-L277 HydrophobicContact CG-CD1 4.31Å
244S74.5Confident69.5Low94 Ų9447.8 Ų47.866%0.65729%0.285SS*.Hα-helixtrans-53.1-25.6-177.6-690000111.8T242 K247 A248T242-S244 PolarHBondContact O-N 2.99Å; T242-S244 VanDerWaalsContact O-N 3.08Å; S244-K247 PolarHBondContact O-N 3.26Å; S244-A248 WeakPolarHBondContact O-CB 3.36Å; S244-A248 PolarHBondContact O-N 2.83Å
245T80.2Confident71.6Confident24 Ų2448.3 Ų48.315%0.14728%0.284CS..Hα-helixtrans-53.6-45.7169.4-43.30000113.3P243 A248 F249 F272 L277P243-T245 PolarHBondContact O-N 3.41Å; T245-A248 PolarHBondContact O-N 2.92Å; T245-F249 VanDerWaalsContact O-CB 3.26Å; T245-F249 WeakPolarHBondContact O-CB 3.4Å; T245-F249 PolarHBondContact O-N 3.47Å; T245-F272 HydrophobicContact CG2-CE1 4.33Å; T245-L277 HydrophobicContact CG2-CD2 4.36Å
246I86.4Confident73.7Confident0 Ų051.5 Ų51.50%030%0.3CS..Hα-helixtrans-65.5-45.5179.6-57.4-179.7000110.2I163 V172 I174 T242 P243 F249 L250 F272I163-I246 HydrophobicContact CD1-CG2 4.41Å; V172-I246 HydrophobicContact CB-CD1 4.33Å; V172-I246 HydrophobicContact CG1-CD1 4.03Å; V172-I246 HydrophobicContact CG2-CD1 3.5Å; V172-I246 VanDerWaalsContact CG2-CD1 3.5Å; I174-I246 HydrophobicContact CD1-CG2 4.15Å; T242-I246 HydrophobicContact CG2-CB 4.03Å; T242-I246 HydrophobicContact CG2-CD1 4.12Å; T242-I246 HydrophobicContact CG2-CG2 4.3Å; P243-I246 HydrophobicContact CB-CD1 4.33Å; P243-I246 HydrophobicContact CB-CG1 4.17Å; P243-I246 HydrophobicContact CG-CD1 3.98Å; P243-I246 HydrophobicContact CG-CG1 4.37Å; P243-I246 WeakPolarHBondContact O-CB 3.47Å; P243-I246 PolarHBondContact O-N 2.83Å; I246-F249 PolarHBondContact O-N 3.29Å; I246-L250 HydrophobicContact CG2-CD1 3.95Å; I246-L250 HydrophobicContact CG2-CG 4.37Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 WeakPolarHBondContact O-CG 3.39Å; I246-L250 PolarHBondContact O-N 3.39Å; I246-F272 HydrophobicContact CB-CE2 4.14Å; I246-F272 HydrophobicContact CB-CZ 4.2Å; I246-F272 HydrophobicContact CD1-CD1 4.41Å; I246-F272 HydrophobicContact CD1-CD2 4.4Å; I246-F272 HydrophobicContact CD1-CG 4.22Å; I246-F272 HydrophobicContact CG1-CD1 3.86Å; I246-F272 HydrophobicContact CG1-CD2 3.98Å; I246-F272 HydrophobicContact CG1-CE1 3.79Å; I246-F272 HydrophobicContact CG1-CE2 3.92Å; I246-F272 HydrophobicContact CG1-CG 3.96Å; I246-F272 HydrophobicContact CG1-CZ 3.84Å; I246-F272 HydrophobicContact CG2-CD2 4.2Å; I246-F272 HydrophobicContact CG2-CE2 3.95Å; I246-F272 HydrophobicContact CG2-CZ 4.5Å
247K87.8Confident75.8Confident57 Ų5754.1 Ų54.125%0.24831%0.312CS..Hα-helixtrans-63.1-44.5178.7-63.3-174.6175171.70111.1D146 M148 I163 T242 S244 S251D146-K247 IonicContact OD1-NZ 2.87Å; D146-K247 PolarHBondContact OD1-NZ 2.78Å; D146-K247 IonicContact OD2-NZ 2.68Å; D146-K247 PolarHBondContact OD2-NZ 2.94Å; M148-K247 HydrophobicContact CE-CB 3.88Å; M148-K247 HydrophobicContact CE-CG 4.36Å; M148-K247 WeakPolarHBondContact CE-O 3.28Å; M148-K247 HydrophobicContact SD-CB 3.76Å; M148-K247 HydrophobicContact SD-CD 4.46Å; M148-K247 HydrophobicContact SD-CG 3.68Å; I163-K247 HydrophobicContact CD1-CG 4.42Å; T242-K247 HydrophobicContact CG2-CG 4.31Å; S244-K247 PolarHBondContact O-N 3.26Å; K247-S251 WeakPolarHBondContact O-CB 3.4Å; K247-S251 PolarHBondContact O-N 3.16Å
248A88.5Confident78Confident64 Ų6455 Ų5553%0.52932%0.318SS..Hα-helixtrans-63.2-45.117700000111.8S244 T245 S251 K252S244-A248 WeakPolarHBondContact O-CB 3.36Å; S244-A248 PolarHBondContact O-N 2.83Å; T245-A248 PolarHBondContact O-N 2.92Å; A248-S251 PolarHBondContact O-N 3.13Å; A248-K252 PolarHBondContact O-N 3.1Å; A248-K252 VanDerWaalsContact O-N 3.14Å
249F90.3Very high80.4Confident22 Ų2255 Ų5510%0.09631%0.313CS..Hα-helixtrans-60.7-51.3176.8-177.9-87.2000111.3T245 I246 S251 K252 H253 V268 F272 I316 A319 I320T245-F249 VanDerWaalsContact O-CB 3.26Å; T245-F249 WeakPolarHBondContact O-CB 3.4Å; T245-F249 PolarHBondContact O-N 3.47Å; I246-F249 PolarHBondContact O-N 3.29Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.44Å; F249-K252 PolarHBondContact O-N 3.09Å; F249-H253 HydrophobicContact CD1-CB 4.27Å; F249-H253 HydrophobicContact CE1-CB 3.91Å; F249-H253 HydrophobicContact CZ-CB 4.41Å; F249-H253 VanDerWaalsContact O-CB 3.29Å; F249-H253 WeakPolarHBondContact O-CB 3.46Å; F249-H253 PolarHBondContact O-N 3.01Å; F249-V268 HydrophobicContact CD1-CG1 3.89Å; F249-V268 HydrophobicContact CE1-CB 4.47Å; F249-V268 HydrophobicContact CE1-CG1 3.84Å; F249-V268 HydrophobicContact CE1-CG2 3.79Å; F249-F272 HydrophobicContact CB-CE2 4.28Å; F249-F272 HydrophobicContact CB-CZ 3.8Å; F249-F272 HydrophobicContact CD1-CE2 4.02Å; F249-F272 HydrophobicContact CD1-CZ 4.25Å; F249-F272 HydrophobicContact CG-CE2 4.22Å; F249-F272 AromaticContact CG-CZ 3.96Å; F249-F272 HydrophobicContact CG-CZ 3.96Å; F249-I316 HydrophobicContact CZ-CG2 4.36Å; F249-A319 HydrophobicContact CE2-CB 3.92Å; F249-A319 HydrophobicContact CZ-CB 4.45Å; F249-I320 HydrophobicContact CD1-CD1 4.42Å; F249-I320 HydrophobicContact CD1-CG1 4.24Å; F249-I320 HydrophobicContact CD2-CG1 3.68Å; F249-I320 HydrophobicContact CE1-CD1 4.05Å; F249-I320 HydrophobicContact CE1-CG1 4Å; F249-I320 HydrophobicContact CE2-CB 4.45Å; F249-I320 HydrophobicContact CE2-CD1 4.3Å; F249-I320 HydrophobicContact CE2-CG1 3.38Å; F249-I320 HydrophobicContact CG-CG1 4.11Å; F249-I320 HydrophobicContact CZ-CD1 3.98Å; F249-I320 HydrophobicContact CZ-CG1 3.57Å
250L90.8Very high82.9Confident1 Ų149.3 Ų49.31%0.00529%0.285CS..Hα-helixtrans-59.4-43178.5-76.2173.1000111.9M148 I163 I174 I246 K252 H253 C254 L265 V268M148-L250 HydrophobicContact SD-CB 4.39Å; M148-L250 HydrophobicContact SD-CD1 4.18Å; I163-L250 HydrophobicContact CD1-CD1 3.54Å; I163-L250 HydrophobicContact CG1-CD1 4.08Å; I174-L250 HydrophobicContact CD1-CD1 4.15Å; I174-L250 HydrophobicContact CD1-CD2 4.41Å; I174-L250 HydrophobicContact CG2-CD1 4.33Å; I246-L250 HydrophobicContact CG2-CD1 3.95Å; I246-L250 HydrophobicContact CG2-CG 4.37Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 WeakPolarHBondContact O-CG 3.39Å; I246-L250 PolarHBondContact O-N 3.39Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.09Å; L250-H253 PolarHBondContact O-N 3.47Å; L250-C254 VanDerWaalsContact O-CB 3.29Å; L250-C254 WeakPolarHBondContact O-CB 3.3Å; L250-C254 PolarHBondContact O-N 3.15Å; L250-C254 PolarHBondContact O-SG 3.29Å; L250-L265 HydrophobicContact CD2-CD2 3.73Å; L250-V268 HydrophobicContact CD2-CG1 3.96Å
251S90.8Very high85Confident67 Ų6746.3 Ų46.347%0.46927%0.272SS..Hα-helixtrans-59.5-40.8178.1-172.10000112.3K247 A248 F249 A255K247-S251 WeakPolarHBondContact O-CB 3.4Å; K247-S251 PolarHBondContact O-N 3.16Å; A248-S251 PolarHBondContact O-N 3.13Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.44Å; S251-A255 PolarHBondContact O-N 2.87Å
252K91.1Very high87.1Confident144 Ų14444.8 Ų44.863%0.62626%0.262SS*.Hα-helixtrans-71.3-50.2176.4-176.5-175.2173.9-169.50110.9A248 F249 L250 C254 A255 D256A248-K252 PolarHBondContact O-N 3.1Å; A248-K252 VanDerWaalsContact O-N 3.14Å; F249-K252 PolarHBondContact O-N 3.09Å; L250-K252 VanDerWaalsContact C-N 3.29Å; L250-K252 PolarHBondContact O-N 3.09Å; K252-C254 VanDerWaalsContact C-N 3.32Å; K252-C254 PolarHBondContact O-N 3.29Å; K252-A255 WeakPolarHBondContact O-CB 3.46Å; K252-A255 PolarHBondContact O-N 3.35Å; K252-D256 PolarHBondContact O-N 3.39Å
253H91.3Very high88.8Confident16 Ų1648.7 Ų48.77%0.07428%0.283CS..Hα-helixtrans-60.1-39.9-177-168.973.6000112.6F249 L250 A255 D256 H257 H264F249-H253 HydrophobicContact CD1-CB 4.27Å; F249-H253 HydrophobicContact CE1-CB 3.91Å; F249-H253 HydrophobicContact CZ-CB 4.41Å; F249-H253 VanDerWaalsContact O-CB 3.29Å; F249-H253 WeakPolarHBondContact O-CB 3.46Å; F249-H253 PolarHBondContact O-N 3.01Å; L250-H253 PolarHBondContact O-N 3.47Å; H253-A255 VanDerWaalsContact C-N 3.34Å; H253-D256 PolarHBondContact O-N 2.85Å; H253-H257 AromaticContact CE1-CE1 3.54Å; H253-H257 AromaticContact CE1-ND1 3.49Å; H253-H257 PolarHBondContact CE1-ND1 2.83Å; H253-H257 AromaticContact CG-ND1 3.95Å; H253-H257 AromaticContact ND1-CE1 3.67Å; H253-H257 AromaticContact ND1-ND1 3.52Å; H253-H257 AromaticContact NE2-ND1 3.91Å; H253-H257 WeakPolarHBondContact O-CB 3.34Å; H253-H257 PolarHBondContact O-N 2.92Å; H253-H257 PolarHBondContact O-ND1 3.31Å; H253-H264 AromaticContact CE1-ND1 3.64Å; H253-H264 VanDerWaalsContact NE2-CB 3.29Å; H253-H264 WeakPolarHBondContact NE2-CB 3.38Å; H253-H264 AromaticContact NE2-CG 3.5Å; H253-H264 AromaticContact NE2-ND1 3.01Å; H253-H264 PolarHBondContact NE2-ND1 3.43Å
254C91.4Very high90.2Very high2 Ų247 Ų471%0.01427%0.272CS..Hα-helixtrans-69.4-30.1175.4-65.60000113F151 L250 K252 H257 P258 W261F151-C254 HydrophobicContact CD1-CB 3.74Å; F151-C254 HydrophobicContact CE1-CB 4.06Å; F151-C254 HydrophobicContact CG-CB 4.13Å; L250-C254 VanDerWaalsContact O-CB 3.29Å; L250-C254 WeakPolarHBondContact O-CB 3.3Å; L250-C254 PolarHBondContact O-N 3.15Å; L250-C254 PolarHBondContact O-SG 3.29Å; K252-C254 VanDerWaalsContact C-N 3.32Å; K252-C254 PolarHBondContact O-N 3.29Å; C254-H257 CarbonylContact O-C 3.55Å; C254-P258 WeakPolarHBondContact O-CA 3.39Å; C254-W261 HydrophobicContact CB-CB 4.07Å; C254-W261 HydrophobicContact CB-CD2 4.48Å; C254-W261 HydrophobicContact CB-CG 4.1Å
255A91.1Very high91.1Very high63 Ų6342.6 Ų42.652%0.52124%0.241SC..Hα-helixtrans-72.8-38.4174.400000111.5S251 K252 H253 H257S251-A255 PolarHBondContact O-N 2.87Å; K252-A255 WeakPolarHBondContact O-CB 3.46Å; K252-A255 PolarHBondContact O-N 3.35Å; H253-A255 VanDerWaalsContact C-N 3.34Å; A255-H257 VanDerWaalsContact C-N 3.32Å
256D91.3Very high91.7Very high101 Ų10145.7 Ų45.754%0.5426%0.263SS..Hα-helixtrans-72.1-27177.4-64.6-20.8000112K252 H253 P258K252-D256 PolarHBondContact O-N 3.39Å; H253-D256 PolarHBondContact O-N 2.85Å; D256-P258 VanDerWaalsContact C-CD 3.47Å; D256-P258 WeakPolarHBondContact O-CD 3.29Å
257H91.8Very high92Very high61 Ų6146.8 Ų46.828%0.28227%0.272SS..SBendtrans-124.359.9-177.2-57.892.2000112.6H253 C254 A255 N259 N260 W261 H264H253-H257 AromaticContact CE1-CE1 3.54Å; H253-H257 AromaticContact CE1-ND1 3.49Å; H253-H257 PolarHBondContact CE1-ND1 2.83Å; H253-H257 AromaticContact CG-ND1 3.95Å; H253-H257 AromaticContact ND1-CE1 3.67Å; H253-H257 AromaticContact ND1-ND1 3.52Å; H253-H257 AromaticContact NE2-ND1 3.91Å; H253-H257 WeakPolarHBondContact O-CB 3.34Å; H253-H257 PolarHBondContact O-N 2.92Å; H253-H257 PolarHBondContact O-ND1 3.31Å; C254-H257 CarbonylContact O-C 3.55Å; A255-H257 VanDerWaalsContact C-N 3.32Å; H257-N259 PolarHBondContact O-N 3.17Å; H257-N260 WeakPolarHBondContact CB-OD1 3.29Å; H257-N260 PolarHBondContact O-N 3.18Å; H257-W261 HydrophobicContact CB-CB 4.32Å; H257-W261 VanDerWaalsContact O-CB 3.3Å; H257-W261 WeakPolarHBondContact O-CB 3.37Å; H257-W261 PolarHBondContact O-N 3.09Å; H257-H264 AromaticContact CD2-CE1 3.58Å; H257-H264 AromaticContact CG-CE1 3.78Å; H257-H264 AromaticContact CG-ND1 3.9Å
258P90.3Very high92.3Very high42 Ų4244 Ų4427%0.27326%0.26SS..THydrogen-bonded Turntrans-60.9-26.3-165.323.9-34.9000114.7H152 C254 D256H152-P258 HydrophobicContact CB-CB 3.75Å; H152-P258 WeakPolarHBondContact CB-O 3.37Å; C254-P258 WeakPolarHBondContact O-CA 3.39Å; D256-P258 VanDerWaalsContact C-CD 3.47Å; D256-P258 WeakPolarHBondContact O-CD 3.29Å
259N92.9Very high92.5Very high87 Ų8741.6 Ų41.647%0.46524%0.239SC..THydrogen-bonded Turntrans-104-14.9-173.3-59.1-27.4000114.1S154 N155 H257S154-N259 CarbonylContact C-O 3.53Å; S154-N259 WeakPolarHBondContact CA-O 3.28Å; N155-N259 VanDerWaalsContact CG-O 3.26Å; N155-N259 PolarHBondContact N-O 2.97Å; N155-N259 PolarHBondContact ND2-O 3.3Å; H257-N259 PolarHBondContact O-N 3.17Å
260N93.6Very high92.7Very high52 Ų5243.3 Ų43.328%0.27825%0.247SC..THydrogen-bonded Turntrans-140.313.7-172.466.2-30.8000113.8H257 D262 D263 H264H257-N260 WeakPolarHBondContact CB-OD1 3.29Å; H257-N260 PolarHBondContact O-N 3.18Å; N260-D262 PolarHBondContact O-N 3.41Å; N260-D262 VanDerWaalsContact O-N 3.12Å; N260-D263 WeakPolarHBondContact O-CB 3.28Å; N260-D263 PolarHBondContact O-N 3.19Å; N260-D263 VanDerWaalsContact O-N 3.1Å; N260-H264 PolarHBondContact ND2-NE2 3.29Å; N260-H264 PolarHBondContact O-NE2 3.45Å
261W94.9Very high92.7Very high0 Ų043.2 Ų43.20%025%0.247CC..Hα-helixtrans-54.5-30.4176.660.4-94.3000113.3F151 H152 H158 Y160 A161 C254 H257 D263 H264 L265F151-W261 HydrophobicContact CB-CZ2 4.03Å; F151-W261 AromaticContact CD2-CH2 3.86Å; F151-W261 HydrophobicContact CD2-CH2 3.86Å; F151-W261 HydrophobicContact CD2-CZ2 4.02Å; F151-W261 HydrophobicContact CD2-CZ3 4.09Å; F151-W261 HydrophobicContact CE2-CZ3 4.46Å; F151-W261 HydrophobicContact CG-CZ2 4.46Å; H152-W261 PolarHBondContact O-NE1 3.31Å; H158-W261 HydrophobicContact CB-CH2 4.07Å; H158-W261 HydrophobicContact CB-CZ2 4.09Å; H158-W261 WeakPolarHBondContact O-CZ2 3.1Å; Y160-W261 WeakPolarHBondContact O-CH2 3.49Å; A161-W261 HydrophobicContact CB-CZ3 4.24Å; C254-W261 HydrophobicContact CB-CB 4.07Å; C254-W261 HydrophobicContact CB-CD2 4.48Å; C254-W261 HydrophobicContact CB-CG 4.1Å; H257-W261 HydrophobicContact CB-CB 4.32Å; H257-W261 VanDerWaalsContact O-CB 3.3Å; H257-W261 WeakPolarHBondContact O-CB 3.37Å; H257-W261 PolarHBondContact O-N 3.09Å; W261-D263 VanDerWaalsContact C-N 3.33Å; W261-D263 PolarHBondContact O-N 2.9Å; W261-H264 PolarHBondContact O-N 3.47Å; W261-H264 VanDerWaalsContact O-N 3.15Å; W261-L265 HydrophobicContact CE3-CD1 4.12Å; W261-L265 HydrophobicContact CE3-CD2 3.99Å; W261-L265 HydrophobicContact CE3-CG 4.24Å; W261-L265 HydrophobicContact CZ3-CD1 3.75Å; W261-L265 HydrophobicContact CZ3-CD2 4.23Å; W261-L265 HydrophobicContact CZ3-CG 4.36Å
262D95.8Very high92.7Very high4 Ų440.1 Ų40.12%0.02123%0.225CC..Hα-helixtrans-70.7-26.5-178.567-45.6000112.8S154 R156 H158 P176 N260 H264S154-D262 VanDerWaalsContact CB-CG 3.41Å; S154-D262 WeakPolarHBondContact CB-OD1 2.95Å; S154-D262 PolarHBondContact OG-OD2 2.77Å; R156-D262 IonicContact CZ-OD2 3.68Å; R156-D262 IonicContact NE-OD2 2.69Å; R156-D262 PolarHBondContact NE-OD2 3.03Å; R156-D262 VanDerWaalsContact NH2-C 3.25Å; R156-D262 VanDerWaalsContact NH2-CG 3.33Å; R156-D262 PolarHBondContact NH2-O 2.93Å; R156-D262 VanDerWaalsContact NH2-O 3.13Å; R156-D262 IonicContact NH2-OD2 2.91Å; R156-D262 PolarHBondContact NH2-OD2 2.95Å; H158-D262 HydrophobicContact CB-CB 4.23Å; H158-D262 IonicContact CE1-OD2 2.66Å; H158-D262 IonicContact CG-OD2 2.81Å; H158-D262 IonicContact ND1-OD2 3.08Å; H158-D262 PolarHBondContact ND1-OD2 2.74Å; P176-D262 HydrophobicContact CB-CB 3.98Å; N260-D262 PolarHBondContact O-N 3.41Å; N260-D262 VanDerWaalsContact O-N 3.12Å; D262-H264 PolarHBondContact O-N 3Å
263D94.8Very high92.7Very high83 Ų8333.4 Ų33.444%0.44420%0.195SC..Hα-helixtrans-69-23.7171.6-72-42.2000112.2R156 N260 W261R156-D263 IonicContact CZ-OD1 3.08Å; R156-D263 IonicContact NE-OD1 3.28Å; R156-D263 IonicContact NH1-OD1 3.61Å; R156-D263 PolarHBondContact NH1-OD1 3.07Å; R156-D263 IonicContact NH2-OD1 2.75Å; R156-D263 PolarHBondContact NH2-OD1 3.42Å; R156-D263 VanDerWaalsContact NH2-OD1 3.08Å; N260-D263 WeakPolarHBondContact O-CB 3.28Å; N260-D263 PolarHBondContact O-N 3.19Å; N260-D263 VanDerWaalsContact O-N 3.1Å; W261-D263 VanDerWaalsContact C-N 3.33Å; W261-D263 PolarHBondContact O-N 2.9Å
264H94.4Very high92.5Very high3 Ų334 Ų341%0.01420%0.2CC..Hα-helixtrans-90.9-14.6-173.3-53.1165.9000112.7H253 H257 N260 W261 D262 S266 A267 V268 M312 I316H253-H264 AromaticContact CE1-ND1 3.64Å; H253-H264 VanDerWaalsContact NE2-CB 3.29Å; H253-H264 WeakPolarHBondContact NE2-CB 3.38Å; H253-H264 AromaticContact NE2-CG 3.5Å; H253-H264 AromaticContact NE2-ND1 3.01Å; H253-H264 PolarHBondContact NE2-ND1 3.43Å; H257-H264 AromaticContact CD2-CE1 3.58Å; H257-H264 AromaticContact CG-CE1 3.78Å; H257-H264 AromaticContact CG-ND1 3.9Å; N260-H264 PolarHBondContact ND2-NE2 3.29Å; N260-H264 PolarHBondContact O-NE2 3.45Å; W261-H264 PolarHBondContact O-N 3.47Å; W261-H264 VanDerWaalsContact O-N 3.15Å; D262-H264 PolarHBondContact O-N 3Å; H264-S266 VanDerWaalsContact C-N 3.34Å; H264-S266 PolarHBondContact O-N 3.42Å; H264-A267 WeakPolarHBondContact O-CA 3.38Å; H264-A267 WeakPolarHBondContact O-CB 3.07Å; H264-A267 PolarHBondContact O-N 2.95Å; H264-V268 WeakPolarHBondContact O-CG2 3.4Å; H264-V268 PolarHBondContact O-N 3.01Å; H264-M312 PolarHBondContact CD2-SD 3.16Å; H264-M312 WeakPolarHBondContact NE2-CE 3.48Å; H264-M312 PolarHBondContact NE2-SD 3.03Å; H264-I316 HydrophobicContact CB-CD1 4.06Å
265L94.8Very high92.2Very high1 Ų134.4 Ų34.41%0.00520%0.203CC..Hα-helixtrans-59-40-169.5-63.1177.6000113.8I174 P176 L250 W261 A267 V268 S269I174-L265 HydrophobicContact CB-CB 4.44Å; I174-L265 HydrophobicContact CG2-CB 4.16Å; I174-L265 HydrophobicContact CG2-CD1 4.29Å; I174-L265 HydrophobicContact CG2-CD2 3.91Å; I174-L265 HydrophobicContact CG2-CG 4.34Å; P176-L265 HydrophobicContact CB-CD1 3.66Å; P176-L265 HydrophobicContact CG-CD1 4.13Å; L250-L265 HydrophobicContact CD2-CD2 3.73Å; W261-L265 HydrophobicContact CE3-CD1 4.12Å; W261-L265 HydrophobicContact CE3-CD2 3.99Å; W261-L265 HydrophobicContact CE3-CG 4.24Å; W261-L265 HydrophobicContact CZ3-CD1 3.75Å; W261-L265 HydrophobicContact CZ3-CD2 4.23Å; W261-L265 HydrophobicContact CZ3-CG 4.36Å; L265-A267 VanDerWaalsContact C-N 3.33Å; L265-A267 PolarHBondContact O-N 3.01Å; L265-V268 PolarHBondContact O-N 2.81Å; L265-S269 WeakPolarHBondContact O-CB 3.32Å; L265-S269 PolarHBondContact O-N 3.35Å
266S92.6Very high91.1Very high89 Ų8936.2 Ų36.262%0.62220%0.2SC*.Hα-helixtrans-64-39.9176.4-59.80000111.9H264 S269 F270H264-S266 VanDerWaalsContact C-N 3.34Å; H264-S266 PolarHBondContact O-N 3.42Å; S266-S269 PolarHBondContact O-N 3.33Å; S266-F270 WeakPolarHBondContact O-CB 3.16Å; S266-F270 PolarHBondContact O-N 2.86Å
267A92.7Very high89.6Confident23 Ų2333.7 Ų33.719%0.1919%0.186CC..Hα-helixtrans-66.1-42.6175.700000111.3H264 L265 F270 A271 F313 I316H264-A267 WeakPolarHBondContact O-CA 3.38Å; H264-A267 WeakPolarHBondContact O-CB 3.07Å; H264-A267 PolarHBondContact O-N 2.95Å; L265-A267 VanDerWaalsContact C-N 3.33Å; L265-A267 PolarHBondContact O-N 3.01Å; A267-F270 PolarHBondContact O-N 3.35Å; A267-A271 VanDerWaalsContact O-CB 3.29Å; A267-A271 WeakPolarHBondContact O-CB 3.01Å; A267-A271 PolarHBondContact O-N 3.15Å; A267-F313 HydrophobicContact CB-CD2 4.01Å; A267-I316 HydrophobicContact CB-CD1 3.86Å
268V93.6Very high88.1Confident0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-61.7-47.4175.1174.60000111I174 F249 L250 H264 L265 F270 A271 F272 I316 I320I174-V268 HydrophobicContact CD1-CB 4.49Å; I174-V268 HydrophobicContact CD1-CG1 3.92Å; F249-V268 HydrophobicContact CD1-CG1 3.89Å; F249-V268 HydrophobicContact CE1-CB 4.47Å; F249-V268 HydrophobicContact CE1-CG1 3.84Å; F249-V268 HydrophobicContact CE1-CG2 3.79Å; L250-V268 HydrophobicContact CD2-CG1 3.96Å; H264-V268 WeakPolarHBondContact O-CG2 3.4Å; H264-V268 PolarHBondContact O-N 3.01Å; L265-V268 PolarHBondContact O-N 2.81Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 2.96Å; V268-A271 PolarHBondContact O-N 2.94Å; V268-F272 HydrophobicContact CG1-CD2 3.77Å; V268-F272 HydrophobicContact CG1-CE2 3.63Å; V268-F272 VanDerWaalsContact O-CD2 3.29Å; V268-F272 WeakPolarHBondContact O-CD2 3.32Å; V268-F272 PolarHBondContact O-N 3.01Å; V268-I316 HydrophobicContact CG2-CD1 4.45Å; V268-I316 HydrophobicContact CG2-CG2 3.89Å; V268-I320 HydrophobicContact CG1-CD1 4.32Å
269S93.3Very high86Confident12 Ų1238 Ų388%0.08421%0.212CC..Hα-helixtrans-57.7-47.3177-163.30000111.3V172 V173 I174 L265 S266 N273V172-S269 PolarHBondContact O-OG 3.41Å; V173-S269 VanDerWaalsContact CA-OG 3.31Å; V173-S269 WeakPolarHBondContact CA-OG 3.43Å; I174-S269 PolarHBondContact N-OG 3.39Å; L265-S269 WeakPolarHBondContact O-CB 3.32Å; L265-S269 PolarHBondContact O-N 3.35Å; S266-S269 PolarHBondContact O-N 3.33Å; S269-N273 PolarHBondContact O-N 2.76Å; S269-N273 VanDerWaalsContact O-N 3.09Å; S269-N273 PolarHBondContact O-ND2 3.19Å; S269-N273 VanDerWaalsContact O-ND2 3.1Å
270F92.9Very high83.9Confident58 Ų5840 Ų4025%0.25423%0.227SC..Hα-helixtrans-65.3-42.5178.5-176.4-112.9000112.1S266 A267 V268 F272 N273 V274 Y285 P293 M295 F313S266-F270 WeakPolarHBondContact O-CB 3.16Å; S266-F270 PolarHBondContact O-N 2.86Å; A267-F270 PolarHBondContact O-N 3.35Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 2.96Å; F270-F272 PolarHBondContact O-N 3.49Å; F270-N273 WeakPolarHBondContact O-CB 3.44Å; F270-N273 PolarHBondContact O-N 3.34Å; F270-N273 VanDerWaalsContact O-N 3.09Å; F270-V274 HydrophobicContact CD2-CG1 4.31Å; F270-V274 HydrophobicContact CE1-CG1 4.19Å; F270-V274 HydrophobicContact CE2-CG1 3.83Å; F270-V274 HydrophobicContact CZ-CG1 3.75Å; F270-V274 WeakPolarHBondContact O-CG2 3.47Å; F270-V274 PolarHBondContact O-N 3.31Å; F270-V274 VanDerWaalsContact O-N 3.09Å; F270-Y285 AromaticContact CE2-CD2 4Å; F270-Y285 HydrophobicContact CE2-CD2 4Å; F270-Y285 AromaticContact CE2-CE2 3.86Å; F270-Y285 HydrophobicContact CE2-CE2 3.86Å; F270-P293 HydrophobicContact CE2-CB 4.43Å; F270-P293 HydrophobicContact CZ-CB 4.1Å; F270-P293 HydrophobicContact CZ-CG 4.17Å; F270-M295 HydrophobicContact CE1-CE 4.06Å; F270-M295 HydrophobicContact CE1-SD 4.12Å; F270-M295 HydrophobicContact CZ-CE 4.08Å; F270-M295 HydrophobicContact CZ-SD 4.35Å; F270-F313 HydrophobicContact CD1-CE1 4.4Å; F270-F313 AromaticContact CD1-CE2 3.57Å; F270-F313 HydrophobicContact CD1-CE2 3.57Å; F270-F313 AromaticContact CD1-CZ 3.43Å; F270-F313 HydrophobicContact CD1-CZ 3.43Å; F270-F313 VanDerWaalsContact CD1-CZ 3.43Å; F270-F313 HydrophobicContact CE1-CE1 4.34Å; F270-F313 HydrophobicContact CE1-CE2 4.29Å; F270-F313 AromaticContact CE1-CZ 3.7Å; F270-F313 HydrophobicContact CE1-CZ 3.7Å
271A91.4Very high82.3Confident0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-60.5-43.8177.800000112.4A267 V268 N273 V274 T275 F313 I316 L317 I320A267-A271 VanDerWaalsContact O-CB 3.29Å; A267-A271 WeakPolarHBondContact O-CB 3.01Å; A267-A271 PolarHBondContact O-N 3.15Å; V268-A271 PolarHBondContact O-N 2.94Å; A271-N273 VanDerWaalsContact C-N 3.31Å; A271-N273 PolarHBondContact O-N 3.01Å; A271-V274 WeakPolarHBondContact O-CG2 3.04Å; A271-V274 PolarHBondContact O-N 3.18Å; A271-T275 WeakPolarHBondContact O-CB 3.22Å; A271-T275 PolarHBondContact O-N 2.85Å; A271-T275 VanDerWaalsContact O-N 3.15Å; A271-T275 PolarHBondContact O-OG1 2.58Å; A271-F313 HydrophobicContact CB-CE2 4.1Å; A271-I316 HydrophobicContact CB-CG2 4.13Å; A271-L317 HydrophobicContact CB-CD1 3.92Å; A271-I320 HydrophobicContact CB-CD1 3.46Å; A271-I320 VanDerWaalsContact CB-CD1 3.46Å
272F90.2Very high81.3Confident2 Ų246.7 Ų46.71%0.00926%0.258CS..Hα-helixtrans-62.9-37.3172.4-81.7-63.7000112.6T245 I246 F249 V268 F270 V274 T275 L277 I320T245-F272 HydrophobicContact CG2-CE1 4.33Å; I246-F272 HydrophobicContact CB-CE2 4.14Å; I246-F272 HydrophobicContact CB-CZ 4.2Å; I246-F272 HydrophobicContact CD1-CD1 4.41Å; I246-F272 HydrophobicContact CD1-CD2 4.4Å; I246-F272 HydrophobicContact CD1-CG 4.22Å; I246-F272 HydrophobicContact CG1-CD1 3.86Å; I246-F272 HydrophobicContact CG1-CD2 3.98Å; I246-F272 HydrophobicContact CG1-CE1 3.79Å; I246-F272 HydrophobicContact CG1-CE2 3.92Å; I246-F272 HydrophobicContact CG1-CG 3.96Å; I246-F272 HydrophobicContact CG1-CZ 3.84Å; I246-F272 HydrophobicContact CG2-CD2 4.2Å; I246-F272 HydrophobicContact CG2-CE2 3.95Å; I246-F272 HydrophobicContact CG2-CZ 4.5Å; F249-F272 HydrophobicContact CB-CE2 4.28Å; F249-F272 HydrophobicContact CB-CZ 3.8Å; F249-F272 HydrophobicContact CD1-CE2 4.02Å; F249-F272 HydrophobicContact CD1-CZ 4.25Å; F249-F272 HydrophobicContact CG-CE2 4.22Å; F249-F272 AromaticContact CG-CZ 3.96Å; F249-F272 HydrophobicContact CG-CZ 3.96Å; V268-F272 HydrophobicContact CG1-CD2 3.77Å; V268-F272 HydrophobicContact CG1-CE2 3.63Å; V268-F272 VanDerWaalsContact O-CD2 3.29Å; V268-F272 WeakPolarHBondContact O-CD2 3.32Å; V268-F272 PolarHBondContact O-N 3.01Å; F270-F272 PolarHBondContact O-N 3.49Å; F272-V274 VanDerWaalsContact C-N 3.26Å; F272-V274 PolarHBondContact O-N 3.19Å; F272-T275 PolarHBondContact O-N 2.86Å; F272-L277 HydrophobicContact CD1-CD1 4.23Å; F272-L277 HydrophobicContact CD1-CD2 4.27Å; F272-L277 HydrophobicContact CE1-CD2 4.34Å; F272-I320 HydrophobicContact CD1-CG2 3.83Å; F272-I320 HydrophobicContact CD2-CD1 3.93Å; F272-I320 HydrophobicContact CE1-CD1 4.48Å; F272-I320 HydrophobicContact CE1-CG1 4.33Å; F272-I320 HydrophobicContact CE1-CG2 3.65Å; F272-I320 HydrophobicContact CE2-CD1 3.76Å; F272-I320 HydrophobicContact CE2-CG1 4.17Å; F272-I320 HydrophobicContact CG-CD1 4.35Å; F272-I320 HydrophobicContact CG-CG2 4.47Å; F272-I320 HydrophobicContact CZ-CD1 4.05Å; F272-I320 HydrophobicContact CZ-CG1 3.96Å; F272-I320 HydrophobicContact CZ-CG2 4.15Å
273N91.3Very high80.8Confident2 Ų246.9 Ų46.91%0.01126%0.259CS..Hα-helixtrans-68.9-23.5179.6-72.4-28.7000113.6W171 V172 S269 F270 A271 P284 Y285W171-N273 HydrophobicContact CE3-CB 3.89Å; W171-N273 HydrophobicContact CH2-CB 3.96Å; W171-N273 WeakPolarHBondContact CH2-ND2 3.13Å; W171-N273 VanDerWaalsContact CZ2-ND2 3.32Å; W171-N273 WeakPolarHBondContact CZ2-ND2 3.29Å; W171-N273 HydrophobicContact CZ3-CB 3.52Å; V172-N273 PolarHBondContact N-OD1 3.4Å; V172-N273 PolarHBondContact O-ND2 2.83Å; S269-N273 PolarHBondContact O-N 2.76Å; S269-N273 VanDerWaalsContact O-N 3.09Å; S269-N273 PolarHBondContact O-ND2 3.19Å; S269-N273 VanDerWaalsContact O-ND2 3.1Å; F270-N273 WeakPolarHBondContact O-CB 3.44Å; F270-N273 PolarHBondContact O-N 3.34Å; F270-N273 VanDerWaalsContact O-N 3.09Å; A271-N273 VanDerWaalsContact C-N 3.31Å; A271-N273 PolarHBondContact O-N 3.01Å; N273-P284 VanDerWaalsContact O-CD 3.31Å; N273-P284 WeakPolarHBondContact O-CD 3.37Å; N273-Y285 VanDerWaalsContact O-CB 3.24Å; N273-Y285 WeakPolarHBondContact O-CB 3.22Å; N273-Y285 PolarHBondContact O-N 3.46Å
274V88.6Confident80.6Confident30 Ų3043.3 Ų43.318%0.18224%0.241CC..Hα-helixtrans-102.2-1.6178.5-56.10000113.9F270 A271 F272 T283 Y285 P293 L317F270-V274 HydrophobicContact CD2-CG1 4.31Å; F270-V274 HydrophobicContact CE1-CG1 4.19Å; F270-V274 HydrophobicContact CE2-CG1 3.83Å; F270-V274 HydrophobicContact CZ-CG1 3.75Å; F270-V274 WeakPolarHBondContact O-CG2 3.47Å; F270-V274 PolarHBondContact O-N 3.31Å; F270-V274 VanDerWaalsContact O-N 3.09Å; A271-V274 WeakPolarHBondContact O-CG2 3.04Å; A271-V274 PolarHBondContact O-N 3.18Å; F272-V274 VanDerWaalsContact C-N 3.26Å; F272-V274 PolarHBondContact O-N 3.19Å; V274-T283 WeakPolarHBondContact O-CG2 3.32Å; V274-Y285 HydrophobicContact CG1-CD2 4.3Å; V274-P293 HydrophobicContact CG1-CG 3.68Å; V274-L317 HydrophobicContact CG2-CD1 3.93Å
275T84.3Confident80.4Confident10 Ų1044.4 Ų44.46%0.06125%0.245CC..SBendtrans-100.5142.2179.7-55.60000110.9A271 F272 L277 I320 K321A271-T275 WeakPolarHBondContact O-CB 3.22Å; A271-T275 PolarHBondContact O-N 2.85Å; A271-T275 VanDerWaalsContact O-N 3.15Å; A271-T275 PolarHBondContact O-OG1 2.58Å; F272-T275 PolarHBondContact O-N 2.86Å; T275-L277 PolarHBondContact O-N 3.19Å; T275-I320 HydrophobicContact CG2-CG2 4.32Å; T275-K321 HydrophobicContact CG2-CG 4.27Å
276H68.3Low80.2Confident101 Ų10147.5 Ų47.547%0.46826%0.258SS..  trans-86.287.1179.7-71.2-88.5000111.3E278 K281 T283H276-E278 PolarHBondContact O-N 3.16Å; H276-E278 VanDerWaalsContact O-N 3.11Å; H276-K281 PolarHBondContact ND1-O 3.48Å; H276-T283 VanDerWaalsContact CE1-CG2 3.44Å; H276-T283 WeakPolarHBondContact CE1-CG2 3.3Å; H276-T283 PolarHBondContact CE1-N 3.5Å; H276-T283 VanDerWaalsContact NE2-CG2 3.29Å; H276-T283 WeakPolarHBondContact NE2-CG2 3.39Å
277L60.3Low80Confident47 Ų4746.1 Ų46.125%0.24624%0.242CC..SBendtrans-67-8.5176.3-65.5166.2000113.9P243 T245 F272 T275 D324P243-L277 HydrophobicContact CG-CD1 4.31Å; T245-L277 HydrophobicContact CG2-CD2 4.36Å; F272-L277 HydrophobicContact CD1-CD1 4.23Å; F272-L277 HydrophobicContact CD1-CD2 4.27Å; F272-L277 HydrophobicContact CE1-CD2 4.34Å; T275-L277 PolarHBondContact O-N 3.19Å; L277-D324 WeakPolarHBondContact CD2-OD1 3.33Å
278E58.7Low79.9Confident94 Ų9446.7 Ų46.744%0.43924%0.241SC..SBendtrans-139.7126.4172.7-71.8-176.9-173.300110.5H276 T280 K281H276-E278 PolarHBondContact O-N 3.16Å; H276-E278 VanDerWaalsContact O-N 3.11Å; E278-T280 PolarHBondContact O-N 3.32Å; E278-K281 PolarHBondContact O-N 3.39Å; E278-K281 IonicContact OE1-NZ 2.78Å; E278-K281 VanDerWaalsContact OE2-CD 3.22Å; E278-K281 WeakPolarHBondContact OE2-CD 3.45Å; E278-K281 WeakPolarHBondContact OE2-CE 3.38Å; E278-K281 IonicContact OE2-NZ 3.43Å; E278-K281 PolarHBondContact OE2-NZ 3.41Å
279P47.7Very low79.7Confident101 Ų10150.3 Ų50.366%0.65626%0.257SS*.THydrogen-bonded Turntrans-60.4-18.5-172.8-24.431.5000115.5E328P279-E328 WeakPolarHBondContact CG-OE1 3.36Å
280T48.8Very low79.5Confident129 Ų12954.4 Ų54.479%0.79129%0.286SS*.THydrogen-bonded Turntrans-104.33.5-172.9560000114.3E278E278-T280 PolarHBondContact O-N 3.32Å
281K59.3Low79.2Confident106 Ų10658.1 Ų58.146%0.46130%0.298SS..SBendtrans-125.8145.2-176.9-68.1-177.2-173.8152.90112.1H276 E278H276-K281 PolarHBondContact ND1-O 3.48Å; E278-K281 PolarHBondContact O-N 3.39Å; E278-K281 IonicContact OE1-NZ 2.78Å; E278-K281 VanDerWaalsContact OE2-CD 3.22Å; E278-K281 WeakPolarHBondContact OE2-CD 3.45Å; E278-K281 WeakPolarHBondContact OE2-CE 3.38Å; E278-K281 IonicContact OE2-NZ 3.43Å; E278-K281 PolarHBondContact OE2-NZ 3.41Å
282N73.3Confident78.9Confident86 Ų8662.9 Ų62.946%0.4632%0.324SS..  trans-58.8154.6170.1-50.2-43.2000110.4F286 Q287N282-F286 HydrophobicContact CB-CB 3.95Å; N282-F286 HydrophobicContact CB-CD1 3.45Å; N282-F286 VanDerWaalsContact CB-CD1 3.45Å; N282-F286 HydrophobicContact CB-CE1 4.27Å; N282-F286 HydrophobicContact CB-CG 3.94Å; N282-F286 WeakPolarHBondContact ND2-CD1 3.42Å; N282-F286 WeakPolarHBondContact ND2-CE1 3.38Å; N282-Q287 HydrophobicContact CB-CG 4.35Å; N282-Q287 PolarHBondContact ND2-NE2 3.03Å
283T86Confident78.7Confident7 Ų763.9 Ų63.94%0.04333%0.33CS..  trans-54.9152.3177.561.60000111.7V274 H276 Y285 F286 Q287V274-T283 WeakPolarHBondContact O-CG2 3.32Å; H276-T283 VanDerWaalsContact CE1-CG2 3.44Å; H276-T283 WeakPolarHBondContact CE1-CG2 3.3Å; H276-T283 PolarHBondContact CE1-N 3.5Å; H276-T283 VanDerWaalsContact NE2-CG2 3.29Å; H276-T283 WeakPolarHBondContact NE2-CG2 3.39Å; T283-Y285 PolarHBondContact O-N 3.49Å; T283-F286 PolarHBondContact O-N 2.78Å; T283-F286 WeakPolarHBondContact OG1-CB 3.25Å; T283-F286 PolarHBondContact OG1-N 2.96Å; T283-F286 VanDerWaalsContact OG1-N 3.09Å; T283-Q287 WeakPolarHBondContact O-CG 3.43Å; T283-Q287 PolarHBondContact O-N 2.83Å
284P89.9Confident78.4Confident9 Ų973 Ų736%0.05837%0.366CS..Hα-helixtrans-53.4-36173.2-26.432.8000113.3T169 K170 N273 Q287 M288T169-P284 VanDerWaalsContact O-CA 3.3Å; T169-P284 WeakPolarHBondContact O-CA 3.3Å; T169-P284 WeakPolarHBondContact O-CB 3.29Å; K170-P284 HydrophobicContact CB-CG 4.22Å; N273-P284 VanDerWaalsContact O-CD 3.31Å; N273-P284 WeakPolarHBondContact O-CD 3.37Å; P284-Q287 PolarHBondContact O-N 3.48Å; P284-M288 WeakPolarHBondContact O-CB 3.47Å; P284-M288 PolarHBondContact O-N 3.16Å
285Y91.4Very high77.8Confident25 Ų2576.1 Ų76.110%0.09838%0.379CS..Hα-helixtrans-62.1-47.3175.3-165.7-71.3000112.2W171 F270 N273 V274 T283 Q287 M288 F289 R291 P293W171-Y285 AromaticContact CH2-CD2 3.72Å; W171-Y285 HydrophobicContact CH2-CD2 3.72Å; W171-Y285 HydrophobicContact CH2-CE2 4.13Å; W171-Y285 AromaticContact CZ3-CD2 3.52Å; W171-Y285 HydrophobicContact CZ3-CD2 3.52Å; W171-Y285 HydrophobicContact CZ3-CE2 4.3Å; W171-Y285 AromaticContact CZ3-CG 3.94Å; W171-Y285 HydrophobicContact CZ3-CG 3.94Å; F270-Y285 AromaticContact CE2-CD2 4Å; F270-Y285 HydrophobicContact CE2-CD2 4Å; F270-Y285 AromaticContact CE2-CE2 3.86Å; F270-Y285 HydrophobicContact CE2-CE2 3.86Å; N273-Y285 VanDerWaalsContact O-CB 3.24Å; N273-Y285 WeakPolarHBondContact O-CB 3.22Å; N273-Y285 PolarHBondContact O-N 3.46Å; V274-Y285 HydrophobicContact CG1-CD2 4.3Å; T283-Y285 PolarHBondContact O-N 3.49Å; Y285-Q287 VanDerWaalsContact C-N 3.32Å; Y285-Q287 PolarHBondContact O-N 2.84Å; Y285-M288 PolarHBondContact O-N 3.04Å; Y285-F289 HydrophobicContact CD1-CB 4.5Å; Y285-F289 AromaticContact CD1-CD2 3.85Å; Y285-F289 HydrophobicContact CD1-CD2 3.85Å; Y285-F289 HydrophobicContact CD2-CD2 4.17Å; Y285-F289 HydrophobicContact CD2-CE2 4.29Å; Y285-F289 HydrophobicContact CE1-CB 4.23Å; Y285-F289 AromaticContact CE1-CD2 3.71Å; Y285-F289 HydrophobicContact CE1-CD2 3.71Å; Y285-F289 HydrophobicContact CE1-CG 4.34Å; Y285-F289 HydrophobicContact CE2-CD2 4Å; Y285-F289 HydrophobicContact CE2-CE2 4.06Å; Y285-F289 HydrophobicContact CG-CD2 4.08Å; Y285-F289 AromaticContact CZ-CD2 3.78Å; Y285-F289 PolarHBondContact O-N 3.44Å; Y285-R291 WeakPolarHBondContact CD1-O 3.44Å; Y285-R291 HydrophobicContact CE1-CG 4.24Å; Y285-R291 WeakPolarHBondContact CE1-O 3.33Å; Y285-R291 PolarHBondContact OH-NH1 3.1Å; Y285-R291 PolarHBondContact OH-NH2 2.83Å; Y285-P293 HydrophobicContact CD1-CB 4.39Å; Y285-P293 VanDerWaalsContact CD1-CD 3.44Å; Y285-P293 HydrophobicContact CD1-CG 4.16Å; Y285-P293 HydrophobicContact CD2-CB 4.4Å; Y285-P293 HydrophobicContact CD2-CG 4.22Å; Y285-P293 HydrophobicContact CE1-CB 3.93Å; Y285-P293 HydrophobicContact CE1-CG 4.21Å; Y285-P293 HydrophobicContact CE2-CB 3.97Å; Y285-P293 HydrophobicContact CE2-CG 4.29Å; Y285-P293 HydrophobicContact CG-CG 4.18Å
286F89.3Confident77.1Confident67 Ų6779.5 Ų79.529%0.29440%0.402SS..Hα-helixtrans-63.9-39.4176-173.4-85.6000111.5N282 T283 M288 S290N282-F286 HydrophobicContact CB-CB 3.95Å; N282-F286 HydrophobicContact CB-CD1 3.45Å; N282-F286 VanDerWaalsContact CB-CD1 3.45Å; N282-F286 HydrophobicContact CB-CE1 4.27Å; N282-F286 HydrophobicContact CB-CG 3.94Å; N282-F286 WeakPolarHBondContact ND2-CD1 3.42Å; N282-F286 WeakPolarHBondContact ND2-CE1 3.38Å; T283-F286 PolarHBondContact O-N 2.78Å; T283-F286 WeakPolarHBondContact OG1-CB 3.25Å; T283-F286 PolarHBondContact OG1-N 2.96Å; T283-F286 VanDerWaalsContact OG1-N 3.09Å; F286-M288 VanDerWaalsContact C-N 3.31Å; F286-M288 PolarHBondContact O-N 2.58Å; F286-S290 WeakPolarHBondContact O-CA 3.48Å; F286-S290 PolarHBondContact O-N 2.83Å
287Q89.1Confident76.6Confident59 Ų5983.6 Ų83.628%0.27642%0.421SS..Hα-helixtrans-64.9-35.5177.2-67.5-67.1-27.300112.4T169 N282 T283 P284 Y285T169-Q287 HydrophobicContact CG2-CB 3.97Å; T169-Q287 WeakPolarHBondContact CG2-O 3.49Å; N282-Q287 HydrophobicContact CB-CG 4.35Å; N282-Q287 PolarHBondContact ND2-NE2 3.03Å; T283-Q287 WeakPolarHBondContact O-CG 3.43Å; T283-Q287 PolarHBondContact O-N 2.83Å; P284-Q287 PolarHBondContact O-N 3.48Å; Y285-Q287 VanDerWaalsContact C-N 3.32Å; Y285-Q287 PolarHBondContact O-N 2.84Å
288M90.1Very high76.2Confident35 Ų3587.9 Ų87.917%0.17245%0.449CS..Hα-helixtrans-78.3-38.5-179.3-169.764.3175.400113P139 W140 T169 W171 Y196 P284 Y285 F286P139-M288 HydrophobicContact CB-SD 4.45Å; W140-M288 HydrophobicContact CB-CE 4.39Å; W140-M288 HydrophobicContact CD2-CE 4.27Å; W140-M288 HydrophobicContact CE3-CE 3.92Å; W140-M288 HydrophobicContact CG-CE 4.49Å; T169-M288 HydrophobicContact CG2-CB 4.25Å; T169-M288 HydrophobicContact CG2-SD 3.99Å; W171-M288 HydrophobicContact CB-CB 4.39Å; W171-M288 HydrophobicContact CB-CG 4.36Å; W171-M288 HydrophobicContact CB-SD 4.28Å; W171-M288 HydrophobicContact CD2-CB 4.14Å; W171-M288 HydrophobicContact CD2-CG 3.97Å; W171-M288 HydrophobicContact CE3-CB 3.74Å; W171-M288 HydrophobicContact CE3-CG 4.03Å; W171-M288 HydrophobicContact CG-CB 4.43Å; W171-M288 HydrophobicContact CG-CG 4.11Å; W171-M288 HydrophobicContact CG-SD 4.37Å; W171-M288 HydrophobicContact CZ3-CB 4.46Å; Y196-M288 HydrophobicContact CD1-CE 3.56Å; Y196-M288 HydrophobicContact CE1-CE 4.04Å; Y196-M288 HydrophobicContact CG-CE 4.48Å; P284-M288 WeakPolarHBondContact O-CB 3.47Å; P284-M288 PolarHBondContact O-N 3.16Å; Y285-M288 PolarHBondContact O-N 3.04Å; F286-M288 VanDerWaalsContact C-N 3.31Å; F286-M288 PolarHBondContact O-N 2.58Å
289F89.9Confident75.3Confident77 Ų7788 Ų8834%0.33846%0.461SS..Hα-helixtrans-118.7-1.2-170.5-59.9-65.5000114.9W171 Y196 Y285 R291W171-F289 HydrophobicContact CE3-CE2 4.15Å; W171-F289 HydrophobicContact CH2-CD2 4.45Å; W171-F289 AromaticContact CH2-CE2 3.51Å; W171-F289 HydrophobicContact CH2-CE2 3.51Å; W171-F289 HydrophobicContact CH2-CZ 4.29Å; W171-F289 HydrophobicContact CZ2-CE2 4Å; W171-F289 HydrophobicContact CZ2-CZ 4.35Å; W171-F289 HydrophobicContact CZ3-CD2 4.17Å; W171-F289 AromaticContact CZ3-CE2 3.57Å; W171-F289 HydrophobicContact CZ3-CE2 3.57Å; Y196-F289 HydrophobicContact CE1-CZ 4.25Å; Y285-F289 HydrophobicContact CD1-CB 4.5Å; Y285-F289 AromaticContact CD1-CD2 3.85Å; Y285-F289 HydrophobicContact CD1-CD2 3.85Å; Y285-F289 HydrophobicContact CD2-CD2 4.17Å; Y285-F289 HydrophobicContact CD2-CE2 4.29Å; Y285-F289 HydrophobicContact CE1-CB 4.23Å; Y285-F289 AromaticContact CE1-CD2 3.71Å; Y285-F289 HydrophobicContact CE1-CD2 3.71Å; Y285-F289 HydrophobicContact CE1-CG 4.34Å; Y285-F289 HydrophobicContact CE2-CD2 4Å; Y285-F289 HydrophobicContact CE2-CE2 4.06Å; Y285-F289 HydrophobicContact CG-CD2 4.08Å; Y285-F289 AromaticContact CZ-CD2 3.78Å; Y285-F289 PolarHBondContact O-N 3.44Å; F289-R291 HydrophobicContact CB-CG 3.91Å; F289-R291 PolarHBondContact O-N 2.78Å; F289-R291 VanDerWaalsContact O-N 3.07Å
290S88.4Confident75.1Confident98 Ų9891.6 Ų91.669%0.68547%0.474SS*.SBendtrans52.927.4-175.4-60.10000113.7F286F286-S290 WeakPolarHBondContact O-CA 3.48Å; F286-S290 PolarHBondContact O-N 2.83Å
291R87.2Confident74.8Confident136 Ų13689.7 Ų89.751%0.51347%0.466SS..SBendtrans-152.3152.3177.968.9-173.3179.391.2-0.8108.7Y285 F289Y285-R291 WeakPolarHBondContact CD1-O 3.44Å; Y285-R291 HydrophobicContact CE1-CG 4.24Å; Y285-R291 WeakPolarHBondContact CE1-O 3.33Å; Y285-R291 PolarHBondContact OH-NH1 3.1Å; Y285-R291 PolarHBondContact OH-NH2 2.83Å; F289-R291 HydrophobicContact CB-CG 3.91Å; F289-R291 PolarHBondContact O-N 2.78Å; F289-R291 VanDerWaalsContact O-N 3.07Å
292N85.1Confident73.7Confident100 Ų10092.5 Ų92.554%0.53549%0.486SS..  trans-82.3152167.3-71.6-39.5000110.2
293P86.9Confident72.1Confident22 Ų2296.4 Ų96.414%0.14350%0.501CS..  trans-67144170.827.5-27.5000109.1F270 V274 Y285 M295F270-P293 HydrophobicContact CE2-CB 4.43Å; F270-P293 HydrophobicContact CZ-CB 4.1Å; F270-P293 HydrophobicContact CZ-CG 4.17Å; V274-P293 HydrophobicContact CG1-CG 3.68Å; Y285-P293 HydrophobicContact CD1-CB 4.39Å; Y285-P293 VanDerWaalsContact CD1-CD 3.44Å; Y285-P293 HydrophobicContact CD1-CG 4.16Å; Y285-P293 HydrophobicContact CD2-CB 4.4Å; Y285-P293 HydrophobicContact CD2-CG 4.22Å; Y285-P293 HydrophobicContact CE1-CB 3.93Å; Y285-P293 HydrophobicContact CE1-CG 4.21Å; Y285-P293 HydrophobicContact CE2-CB 3.97Å; Y285-P293 HydrophobicContact CE2-CG 4.29Å; Y285-P293 HydrophobicContact CG-CG 4.18Å; P293-M295 HydrophobicContact CG-CG 4.43Å; P293-M295 PolarHBondContact O-N 3.37Å
294Y84.1Confident70.2Confident193 Ų193104.5 Ų104.576%0.75754%0.544SS*.  trans-71112.9168.7178-105.8000108.4P296Y294-P296 HydrophobicContact CD1-CG 4.38Å; Y294-P296 HydrophobicContact CE1-CB 4.44Å; Y294-P296 HydrophobicContact CE1-CG 3.88Å
295M76.6Confident68Low96 Ų96109.1 Ų109.147%0.47357%0.572SS.*  trans-109.7112.7171.9-64-82.980.200106.5F270 P293 E297F270-M295 HydrophobicContact CE1-CE 4.06Å; F270-M295 HydrophobicContact CE1-SD 4.12Å; F270-M295 HydrophobicContact CZ-CE 4.08Å; F270-M295 HydrophobicContact CZ-SD 4.35Å; P293-M295 HydrophobicContact CG-CG 4.43Å; P293-M295 PolarHBondContact O-N 3.37Å; M295-E297 PolarHBondContact O-N 3.48Å
296P68.5Low65.7Low82 Ų82115.3 Ų115.353%0.53261%0.607SS.*  trans-55.3127.1172.1-18.328.7000108.1Y294 T298Y294-P296 HydrophobicContact CD1-CG 4.38Å; Y294-P296 HydrophobicContact CE1-CB 4.44Å; Y294-P296 HydrophobicContact CE1-CG 3.88Å; P296-T298 PolarHBondContact O-N 3.46Å
297E57.4Low63.8Low186 Ų186116.3 Ų116.387%0.86964%0.635SS**  trans-55.8118.3172.7-69-178.7179.300107.3M295 S299M295-E297 PolarHBondContact O-N 3.48Å; E297-S299 PolarHBondContact O-N 2.98Å
298T51.9Low62.2Low137 Ų137119.1 Ų119.184%0.8465%0.652SS**  trans-62.4110.7165.435.30000104.5P296 D300P296-T298 PolarHBondContact O-N 3.46Å; T298-D300 PolarHBondContact O-N 2.9Å
299S41.3Very low60.7Low98 Ų98124.7 Ų124.769%0.68568%0.683SS**  trans-55.4129.8-177.3-5.10000107.8E297 S301E297-S299 PolarHBondContact O-N 2.98Å; S299-S301 PolarHBondContact O-N 2.95Å
300D43.1Very low59.6Low175 Ų175124.7 Ų124.794%0.93669%0.689SS**SBendtrans-62.340.4165.5-93.1-29.4000111.8T298T298-D300 PolarHBondContact O-N 2.9Å
301S41.8Very low59.3Low89 Ų89123.3 Ų123.362%0.62268%0.68SS**  trans-158.265.9-171-660000110.9S299S299-S301 PolarHBondContact O-N 2.95Å
302L36.5Very low59.1Low166 Ų166121.5 Ų121.587%0.86968%0.678SS**  trans-141.1115.4137.4-75.6-178.5000108.4
303H39.6Very low59.2Low167 Ų167119.4 Ų119.477%0.77366%0.664SS**  trans-26.7152.9167.6-69.2-85.2000115.8V305H303-V305 VanDerWaalsContact C-N 3.27Å; H303-V305 PolarHBondContact O-N 3.28Å
304D46.9Very low59.1Low177 Ų177119.7 Ų119.795%0.94767%0.668SS**  trans-28.485.8152.1-83.9-39.8000112.7
305V42.1Very low59.2Low107 Ų107115.3 Ų115.365%0.64865%0.653SS**  trans-125.386.2165.3-1740000105.5H303H303-V305 VanDerWaalsContact C-N 3.27Å; H303-V305 PolarHBondContact O-N 3.28Å
306D43.7Very low59.7Low155 Ų155111 Ų11183%0.82963%0.632SS**  trans46.384.4149.1-131.411.5000115.5D308D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.49Å
307G50.4Low60.5Low87 Ų87108.4 Ų108.490%0.89761%0.614SS**SBendtrans55-17.1138.300000123.4
308D55.2Low61.9Low118 Ų118103 Ų10363%0.63159%0.591SS**  trans-144.60.9-166.1-147.18.6000116.5D306 T310 K315D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.49Å; D308-T310 VanDerWaalsContact C-N 3.31Å; D308-T310 PolarHBondContact O-N 3.44Å; D308-K315 IonicContact OD1-NZ 3.89Å; D308-K315 PolarHBondContact OD1-NZ 3.36Å
309N57.3Low63.5Low153 Ų15398.3 Ų98.382%0.81857%0.566SS**  trans-868-179.9-99.1-7.5000115.2S311N309-S311 PolarHBondContact O-N 2.68Å
310T68.3Low65.5Low76 Ų7693.7 Ų93.747%0.46653%0.533SS..SBendtrans-67.7121.4173-53.60000109.7D308 A314 K315D308-T310 VanDerWaalsContact C-N 3.31Å; D308-T310 PolarHBondContact O-N 3.44Å; T310-A314 HydrophobicContact CG2-CB 3.66Å; T310-K315 HydrophobicContact CG2-CG 3.87Å; T310-K315 VanDerWaalsContact O-CE 3.28Å; T310-K315 WeakPolarHBondContact O-CE 3.26Å
311S82.1Confident67.4Low70 Ų7089.7 Ų89.749%0.4951%0.508SS..  trans-54.5144.7179.978.10000111.4N309 F313 A314 K315N309-S311 PolarHBondContact O-N 2.68Å; S311-F313 PolarHBondContact O-N 2.6Å; S311-F313 VanDerWaalsContact O-N 3.15Å; S311-A314 WeakPolarHBondContact O-CB 3.47Å; S311-A314 PolarHBondContact O-N 2.91Å; S311-A314 WeakPolarHBondContact OG-CB 3.5Å; S311-A314 PolarHBondContact OG-N 2.97Å; S311-A314 VanDerWaalsContact OG-N 3.16Å; S311-K315 PolarHBondContact O-N 3.22Å
312M83.1Confident69.3Low97 Ų9791.1 Ų91.148%0.47851%0.505SS..Hα-helixtrans-50.7-39.7176.1166.6177.3-8000112.4H264 K315 I316H264-M312 PolarHBondContact CD2-SD 3.16Å; H264-M312 WeakPolarHBondContact NE2-CE 3.48Å; H264-M312 PolarHBondContact NE2-SD 3.03Å; M312-K315 PolarHBondContact O-N 2.81Å; M312-I316 HydrophobicContact CG-CD1 3.8Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.35Å; M312-I316 PolarHBondContact O-N 2.81Å
313F85.8Confident71.2Confident57 Ų5784.6 Ų84.625%0.2548%0.475CS..Hα-helixtrans-65.2-42.3178177.8-108.2000112.2A267 F270 A271 S311 I316 L317A267-F313 HydrophobicContact CB-CD2 4.01Å; F270-F313 HydrophobicContact CD1-CE1 4.4Å; F270-F313 AromaticContact CD1-CE2 3.57Å; F270-F313 HydrophobicContact CD1-CE2 3.57Å; F270-F313 AromaticContact CD1-CZ 3.43Å; F270-F313 HydrophobicContact CD1-CZ 3.43Å; F270-F313 VanDerWaalsContact CD1-CZ 3.43Å; F270-F313 HydrophobicContact CE1-CE1 4.34Å; F270-F313 HydrophobicContact CE1-CE2 4.29Å; F270-F313 AromaticContact CE1-CZ 3.7Å; F270-F313 HydrophobicContact CE1-CZ 3.7Å; A271-F313 HydrophobicContact CB-CE2 4.1Å; S311-F313 PolarHBondContact O-N 2.6Å; S311-F313 VanDerWaalsContact O-N 3.15Å; F313-I316 PolarHBondContact O-N 2.85Å; F313-L317 HydrophobicContact CE1-CD2 4.15Å; F313-L317 HydrophobicContact CZ-CB 4.46Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 2.95Å
314A85Confident72.7Confident27 Ų2777.9 Ų77.922%0.22344%0.444CS..Hα-helixtrans-61.6-45.5175.400000111.1T310 S311 I316 L317 D318T310-A314 HydrophobicContact CG2-CB 3.66Å; S311-A314 WeakPolarHBondContact O-CB 3.47Å; S311-A314 PolarHBondContact O-N 2.91Å; S311-A314 WeakPolarHBondContact OG-CB 3.5Å; S311-A314 PolarHBondContact OG-N 2.97Å; S311-A314 VanDerWaalsContact OG-N 3.16Å; A314-I316 VanDerWaalsContact C-N 3.31Å; A314-I316 PolarHBondContact O-N 3Å; A314-L317 PolarHBondContact O-N 3.32Å; A314-D318 WeakPolarHBondContact O-CB 3.31Å; A314-D318 VanDerWaalsContact O-CG 3.24Å; A314-D318 PolarHBondContact O-N 2.83Å
315K86.4Confident73.8Confident101 Ų10175.1 Ų75.144%0.43943%0.426SS..Hα-helixtrans-56.5-43.2174.3-64.6-178.8178.9176.70112D308 T310 S311 M312 A319D308-K315 IonicContact OD1-NZ 3.89Å; D308-K315 PolarHBondContact OD1-NZ 3.36Å; T310-K315 HydrophobicContact CG2-CG 3.87Å; T310-K315 VanDerWaalsContact O-CE 3.28Å; T310-K315 WeakPolarHBondContact O-CE 3.26Å; S311-K315 PolarHBondContact O-N 3.22Å; M312-K315 PolarHBondContact O-N 2.81Å; K315-A319 VanDerWaalsContact O-CB 3.28Å; K315-A319 WeakPolarHBondContact O-CB 3.32Å; K315-A319 PolarHBondContact O-N 3.1Å
316I86.9Confident75Confident7 Ų775.2 Ų75.24%0.03642%0.422CS..Hα-helixtrans-66.6-45.7177.2-70.9167.1000111.4F249 H264 A267 V268 A271 M312 F313 A314 A319 I320F249-I316 HydrophobicContact CZ-CG2 4.36Å; H264-I316 HydrophobicContact CB-CD1 4.06Å; A267-I316 HydrophobicContact CB-CD1 3.86Å; V268-I316 HydrophobicContact CG2-CD1 4.45Å; V268-I316 HydrophobicContact CG2-CG2 3.89Å; A271-I316 HydrophobicContact CB-CG2 4.13Å; M312-I316 HydrophobicContact CG-CD1 3.8Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.35Å; M312-I316 PolarHBondContact O-N 2.81Å; F313-I316 PolarHBondContact O-N 2.85Å; A314-I316 VanDerWaalsContact C-N 3.31Å; A314-I316 PolarHBondContact O-N 3Å; I316-A319 PolarHBondContact O-N 3.45Å; I316-I320 HydrophobicContact CG2-CD1 3.85Å; I316-I320 WeakPolarHBondContact O-CG1 3.41Å; I316-I320 PolarHBondContact O-N 3.15Å
317L86.7Confident75.8Confident27 Ų2771.7 Ų71.714%0.14140%0.401CS..Hα-helixtrans-63.5-44.7-178.6-177.963.6000111.1A271 V274 F313 A314 I320 K321A271-L317 HydrophobicContact CB-CD1 3.92Å; V274-L317 HydrophobicContact CG2-CD1 3.93Å; F313-L317 HydrophobicContact CE1-CD2 4.15Å; F313-L317 HydrophobicContact CZ-CB 4.46Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 2.95Å; A314-L317 PolarHBondContact O-N 3.32Å; L317-I320 PolarHBondContact O-N 3.49Å; L317-K321 WeakPolarHBondContact O-CG 3.11Å; L317-K321 PolarHBondContact O-N 3.05Å
318D85.8Confident76.3Confident72 Ų7271.9 Ų71.939%0.38538%0.379SS..Hα-helixtrans-65.6-43.6178.2-64.9-24.1000110.9A314 I320 K321 E322A314-D318 WeakPolarHBondContact O-CB 3.31Å; A314-D318 VanDerWaalsContact O-CG 3.24Å; A314-D318 PolarHBondContact O-N 2.83Å; D318-I320 VanDerWaalsContact C-N 3.28Å; D318-I320 PolarHBondContact O-N 3.09Å; D318-K321 PolarHBondContact O-N 3.35Å; D318-E322 WeakPolarHBondContact O-CG 3.41Å; D318-E322 PolarHBondContact O-N 3.5Å
319A85.2Confident76.4Confident38 Ų3870.9 Ų70.931%0.31437%0.373SS..Hα-helixtrans-61.7-33.7175.700000113.2F249 K315 I316 A323F249-A319 HydrophobicContact CE2-CB 3.92Å; F249-A319 HydrophobicContact CZ-CB 4.45Å; K315-A319 VanDerWaalsContact O-CB 3.28Å; K315-A319 WeakPolarHBondContact O-CB 3.32Å; K315-A319 PolarHBondContact O-N 3.1Å; I316-A319 PolarHBondContact O-N 3.45Å; A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 3.12Å; A319-A323 VanDerWaalsContact O-N 3.08Å
320I84.3Confident76.4Confident1 Ų169.7 Ų69.71%0.00536%0.361CS..Hα-helixtrans-72-42.6175.1-73.9168.2000110.9F249 V268 A271 F272 T275 I316 L317 D318 A323 D324F249-I320 HydrophobicContact CD1-CD1 4.42Å; F249-I320 HydrophobicContact CD1-CG1 4.24Å; F249-I320 HydrophobicContact CD2-CG1 3.68Å; F249-I320 HydrophobicContact CE1-CD1 4.05Å; F249-I320 HydrophobicContact CE1-CG1 4Å; F249-I320 HydrophobicContact CE2-CB 4.45Å; F249-I320 HydrophobicContact CE2-CD1 4.3Å; F249-I320 HydrophobicContact CE2-CG1 3.38Å; F249-I320 HydrophobicContact CG-CG1 4.11Å; F249-I320 HydrophobicContact CZ-CD1 3.98Å; F249-I320 HydrophobicContact CZ-CG1 3.57Å; V268-I320 HydrophobicContact CG1-CD1 4.32Å; A271-I320 HydrophobicContact CB-CD1 3.46Å; A271-I320 VanDerWaalsContact CB-CD1 3.46Å; F272-I320 HydrophobicContact CD1-CG2 3.83Å; F272-I320 HydrophobicContact CD2-CD1 3.93Å; F272-I320 HydrophobicContact CE1-CD1 4.48Å; F272-I320 HydrophobicContact CE1-CG1 4.33Å; F272-I320 HydrophobicContact CE1-CG2 3.65Å; F272-I320 HydrophobicContact CE2-CD1 3.76Å; F272-I320 HydrophobicContact CE2-CG1 4.17Å; F272-I320 HydrophobicContact CG-CD1 4.35Å; F272-I320 HydrophobicContact CG-CG2 4.47Å; F272-I320 HydrophobicContact CZ-CD1 4.05Å; F272-I320 HydrophobicContact CZ-CG1 3.96Å; F272-I320 HydrophobicContact CZ-CG2 4.15Å; T275-I320 HydrophobicContact CG2-CG2 4.32Å; I316-I320 HydrophobicContact CG2-CD1 3.85Å; I316-I320 WeakPolarHBondContact O-CG1 3.41Å; I316-I320 PolarHBondContact O-N 3.15Å; L317-I320 PolarHBondContact O-N 3.49Å; D318-I320 VanDerWaalsContact C-N 3.28Å; D318-I320 PolarHBondContact O-N 3.09Å; I320-A323 PolarHBondContact O-N 3.11Å; I320-D324 WeakPolarHBondContact O-CB 3.48Å; I320-D324 PolarHBondContact O-N 2.93Å
321K83.2Confident75.8Confident92 Ų9270.6 Ų70.640%0.437%0.366SS..Hα-helixtrans-60.9-46.3174.9-72.3172.6-179.9171.90111.6T275 L317 D318 A323 D324 E325T275-K321 HydrophobicContact CG2-CG 4.27Å; L317-K321 WeakPolarHBondContact O-CG 3.11Å; L317-K321 PolarHBondContact O-N 3.05Å; D318-K321 PolarHBondContact O-N 3.35Å; K321-A323 VanDerWaalsContact C-N 3.33Å; K321-A323 PolarHBondContact O-N 2.86Å; K321-D324 WeakPolarHBondContact O-CB 3.3Å; K321-D324 PolarHBondContact O-N 3.2Å; K321-D324 VanDerWaalsContact O-N 3.16Å; K321-E325 PolarHBondContact O-N 2.67Å
322E81.6Confident74.3Confident119 Ų11970.1 Ų70.156%0.55636%0.361SS*.Hα-helixtrans-59.6-43.3175.4-73.5178.8-175.700111.8D318 D324 E325 I326D318-E322 WeakPolarHBondContact O-CG 3.41Å; D318-E322 PolarHBondContact O-N 3.5Å; E322-D324 VanDerWaalsContact C-N 3.27Å; E322-D324 PolarHBondContact O-N 2.83Å; E322-E325 PolarHBondContact O-N 2.83Å; E322-I326 WeakPolarHBondContact O-CD1 3.45Å; E322-I326 VanDerWaalsContact O-CG1 3.23Å; E322-I326 WeakPolarHBondContact O-CG1 3.38Å; E322-I326 PolarHBondContact O-N 3.43Å
323A75.6Confident72.7Confident29 Ų2968.2 Ų68.224%0.2436%0.357CS..Hα-helixtrans-63.1-34.8177.400000112.4A319 I320 K321 M327A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 3.12Å; A319-A323 VanDerWaalsContact O-N 3.08Å; I320-A323 PolarHBondContact O-N 3.11Å; K321-A323 VanDerWaalsContact C-N 3.33Å; K321-A323 PolarHBondContact O-N 2.86Å; A323-M327 VanDerWaalsContact O-CG 3.3Å; A323-M327 WeakPolarHBondContact O-CG 3.27Å; A323-M327 PolarHBondContact O-N 2.81Å
324D71.9Confident70.6Confident25 Ų2570.4 Ų70.413%0.13437%0.371CS..Hα-helixtrans-71.2-45.9176.4-161.845000111.7L277 I320 K321 E322 I326 M327 E328L277-D324 WeakPolarHBondContact CD2-OD1 3.33Å; I320-D324 WeakPolarHBondContact O-CB 3.48Å; I320-D324 PolarHBondContact O-N 2.93Å; K321-D324 WeakPolarHBondContact O-CB 3.3Å; K321-D324 PolarHBondContact O-N 3.2Å; K321-D324 VanDerWaalsContact O-N 3.16Å; E322-D324 VanDerWaalsContact C-N 3.27Å; E322-D324 PolarHBondContact O-N 2.83Å; D324-I326 VanDerWaalsContact C-N 3.33Å; D324-I326 PolarHBondContact O-N 3.25Å; D324-M327 CarbonylContact O-C 3.48Å; D324-M327 WeakPolarHBondContact O-CA 3.4Å; D324-M327 WeakPolarHBondContact O-CB 3.12Å; D324-M327 PolarHBondContact O-N 3.25Å; D324-E328 PolarHBondContact O-N 3.01Å
325E69.4Low68.6Low119 Ų11970.4 Ų70.456%0.55637%0.373SS*.Hα-helixtrans-59.8-40.6174.8-73.5-177.4-173.500112.3K321 E322 M327 E328 N329K321-E325 PolarHBondContact O-N 2.67Å; E322-E325 PolarHBondContact O-N 2.83Å; E325-M327 VanDerWaalsContact C-N 3.28Å; E325-M327 PolarHBondContact O-N 2.91Å; E325-E328 PolarHBondContact O-N 3.44Å; E325-N329 WeakPolarHBondContact O-CB 3.46Å; E325-N329 PolarHBondContact O-N 2.82Å; E325-N329 PolarHBondContact O-ND2 3.04Å
326I66.4Low66.5Low110 Ų11070.4 Ų70.456%0.56437%0.374SS*.Hα-helixtrans-63.1-38.1175.4-69.2164.2000110.7E322 D324 K330E322-I326 WeakPolarHBondContact O-CD1 3.45Å; E322-I326 VanDerWaalsContact O-CG1 3.23Å; E322-I326 WeakPolarHBondContact O-CG1 3.38Å; E322-I326 PolarHBondContact O-N 3.43Å; D324-I326 VanDerWaalsContact C-N 3.33Å; D324-I326 PolarHBondContact O-N 3.25Å; I326-K330 WeakPolarHBondContact O-CB 3.38Å; I326-K330 PolarHBondContact O-N 3.46Å
327M61.7Low64.2Low80 Ų8076.3 Ų76.339%0.39440%0.403SS..Hα-helixtrans-71.9-40.1178-76.7-65.6-62.400112.1A323 D324 E325 K330 T331A323-M327 VanDerWaalsContact O-CG 3.3Å; A323-M327 WeakPolarHBondContact O-CG 3.27Å; A323-M327 PolarHBondContact O-N 2.81Å; D324-M327 CarbonylContact O-C 3.48Å; D324-M327 WeakPolarHBondContact O-CA 3.4Å; D324-M327 WeakPolarHBondContact O-CB 3.12Å; D324-M327 PolarHBondContact O-N 3.25Å; E325-M327 VanDerWaalsContact C-N 3.28Å; E325-M327 PolarHBondContact O-N 2.91Å; M327-K330 PolarHBondContact O-N 3.23Å; M327-T331 WeakPolarHBondContact O-CB 3.41Å; M327-T331 PolarHBondContact O-N 2.84Å; M327-T331 PolarHBondContact O-OG1 3.27Å
328E60.3Low62Low92 Ų9282 Ų8243%0.4343%0.429SS..Hα-helixtrans-63.9-44.5173-170.7173.6-162.800110.7P279 D324 E325 K330 T331 T332P279-E328 WeakPolarHBondContact CG-OE1 3.36Å; D324-E328 PolarHBondContact O-N 3.01Å; E325-E328 PolarHBondContact O-N 3.44Å; E328-K330 PolarHBondContact O-N 2.9Å; E328-T331 PolarHBondContact O-N 2.86Å; E328-T332 WeakPolarHBondContact O-CB 3.46Å; E328-T332 PolarHBondContact O-N 2.81Å; E328-T332 PolarHBondContact O-OG1 2.87Å
329N57.5Low59.6Low97 Ų9783.1 Ų83.152%0.51944%0.435SS..Hα-helixtrans-64.6-37.9174.8-75.3-38.8000111.9E325 T332 S333E325-N329 WeakPolarHBondContact O-CB 3.46Å; E325-N329 PolarHBondContact O-N 2.82Å; E325-N329 PolarHBondContact O-ND2 3.04Å; N329-T332 CarbonylContact O-C 3.54Å; N329-T332 PolarHBondContact O-N 2.84Å; N329-S333 WeakPolarHBondContact O-CA 3.35Å; N329-S333 WeakPolarHBondContact O-CB 3.39Å; N329-S333 PolarHBondContact O-N 3.2Å; N329-S333 PolarHBondContact O-OG 3.15Å
330K57.5Low57.2Low127 Ų12785.8 Ų85.855%0.55244%0.444SS*.Hα-helixtrans-70.1-36.3175.6-170.6173.2-175.9176.40112.2I326 M327 E328 S333 L334I326-K330 WeakPolarHBondContact O-CB 3.38Å; I326-K330 PolarHBondContact O-N 3.46Å; M327-K330 PolarHBondContact O-N 3.23Å; E328-K330 PolarHBondContact O-N 2.9Å; K330-S333 PolarHBondContact O-N 3.36Å; K330-L334 HydrophobicContact CG-CD1 4.09Å; K330-L334 WeakPolarHBondContact O-CB 3.24Å; K330-L334 VanDerWaalsContact O-CD1 3.26Å; K330-L334 WeakPolarHBondContact O-CD1 3.36Å; K330-L334 PolarHBondContact O-N 3.03Å
331T55Low55.1Low95 Ų9591.1 Ų91.158%0.58347%0.473SS*.Hα-helixtrans-70.4-40.7174.6-53.30000110.7M327 E328 L334 G335M327-T331 WeakPolarHBondContact O-CB 3.41Å; M327-T331 PolarHBondContact O-N 2.84Å; M327-T331 PolarHBondContact O-OG1 3.27Å; E328-T331 PolarHBondContact O-N 2.86Å; T331-L334 PolarHBondContact O-N 3.16Å; T331-G335 PolarHBondContact O-N 2.85Å
332T52Low52.9Low61 Ų6191.6 Ų91.637%0.37448%0.479SS..Hα-helixtrans-67.8-35172.7-570000111.3E328 N329 G335 Q336E328-T332 WeakPolarHBondContact O-CB 3.46Å; E328-T332 PolarHBondContact O-N 2.81Å; E328-T332 PolarHBondContact O-OG1 2.87Å; N329-T332 CarbonylContact O-C 3.54Å; N329-T332 PolarHBondContact O-N 2.84Å; T332-G335 CarbonylContact O-C 3.59Å; T332-G335 PolarHBondContact O-N 2.86Å; T332-Q336 HydrophobicContact CG2-CG 4.38Å; T332-Q336 WeakPolarHBondContact O-CA 3.43Å; T332-Q336 WeakPolarHBondContact O-CB 3.37Å; T332-Q336 WeakPolarHBondContact O-CG 3.36Å; T332-Q336 PolarHBondContact O-N 2.82Å
333S47.8Very low50.9Low56 Ų5691 Ų9139%0.39248%0.48SS..Hα-helixtrans-74.7-35.1175.5-60.20000112.4N329 K330 Q336 M337N329-S333 WeakPolarHBondContact O-CA 3.35Å; N329-S333 WeakPolarHBondContact O-CB 3.39Å; N329-S333 PolarHBondContact O-N 3.2Å; N329-S333 PolarHBondContact O-OG 3.15Å; K330-S333 PolarHBondContact O-N 3.36Å; S333-Q336 CarbonylContact O-C 3.59Å; S333-Q336 PolarHBondContact O-N 3.05Å; S333-M337 VanDerWaalsContact O-CB 3.23Å; S333-M337 WeakPolarHBondContact O-CB 3.47Å; S333-M337 VanDerWaalsContact O-CG 3.32Å; S333-M337 WeakPolarHBondContact O-CG 3.43Å; S333-M337 PolarHBondContact O-N 3.06Å
334L43.4Very low49.1Very low104 Ų10497.6 Ų97.655%0.54551%0.505SS..Hα-helixtrans-67.3-42168.8-101.885.2000110.3K330 T331 Q336 M337 E338K330-L334 HydrophobicContact CG-CD1 4.09Å; K330-L334 WeakPolarHBondContact O-CB 3.24Å; K330-L334 VanDerWaalsContact O-CD1 3.26Å; K330-L334 WeakPolarHBondContact O-CD1 3.36Å; K330-L334 PolarHBondContact O-N 3.03Å; T331-L334 PolarHBondContact O-N 3.16Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 2.98Å; L334-M337 PolarHBondContact O-N 3.45Å; L334-E338 WeakPolarHBondContact O-CB 3.18Å; L334-E338 WeakPolarHBondContact O-CG 3.48Å; L334-E338 PolarHBondContact O-N 2.84Å
335G41.7Very low47.3Very low26 Ų26101.8 Ų101.827%0.26853%0.527SS..Hα-helixtrans-63.5-36.8172.500000112.9T331 T332 N339T331-G335 PolarHBondContact O-N 2.85Å; T332-G335 CarbonylContact O-C 3.59Å; T332-G335 PolarHBondContact O-N 2.86Å; G335-N339 VanDerWaalsContact O-CB 3.26Å; G335-N339 WeakPolarHBondContact O-CB 3.11Å; G335-N339 PolarHBondContact O-N 3Å; G335-N339 PolarHBondContact O-ND2 3.48Å; G335-N339 VanDerWaalsContact O-ND2 3.14Å
336Q42.7Very low45.8Very low102 Ų102100.3 Ų100.348%0.47752%0.523SS..Hα-helixtrans-79.8-25.9175.2-75.9177.24.600112.5T332 S333 L334 N340T332-Q336 HydrophobicContact CG2-CG 4.38Å; T332-Q336 WeakPolarHBondContact O-CA 3.43Å; T332-Q336 WeakPolarHBondContact O-CB 3.37Å; T332-Q336 WeakPolarHBondContact O-CG 3.36Å; T332-Q336 PolarHBondContact O-N 2.82Å; S333-Q336 CarbonylContact O-C 3.59Å; S333-Q336 PolarHBondContact O-N 3.05Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 2.98Å; Q336-N340 WeakPolarHBondContact O-CA 3.5Å; Q336-N340 WeakPolarHBondContact O-CB 3.48Å; Q336-N340 PolarHBondContact O-N 2.78Å; Q336-N340 PolarHBondContact O-ND2 3.43Å; Q336-N340 PolarHBondContact O-OD1 2.78Å
337M38.8Very low44.6Very low131 Ų131104.4 Ų104.465%0.64554%0.537SS*.Hα-helixtrans-77.7-30.3169.9-82.5-167.3151.600111.8S333 L334 N341S333-M337 VanDerWaalsContact O-CB 3.23Å; S333-M337 WeakPolarHBondContact O-CB 3.47Å; S333-M337 VanDerWaalsContact O-CG 3.32Å; S333-M337 WeakPolarHBondContact O-CG 3.43Å; S333-M337 PolarHBondContact O-N 3.06Å; L334-M337 PolarHBondContact O-N 3.45Å; M337-N341 WeakPolarHBondContact O-CB 3.19Å; M337-N341 PolarHBondContact O-N 2.82Å; M337-N341 VanDerWaalsContact O-N 3.1Å; M337-N341 PolarHBondContact O-ND2 2.75Å
338E39.9Very low43.6Very low146 Ų146104.9 Ų104.968%0.68255%0.548SS*.Hα-helixtrans-71.6-34.4168.2-75.1-17315900111.6L334 L342L334-E338 WeakPolarHBondContact O-CB 3.18Å; L334-E338 WeakPolarHBondContact O-CG 3.48Å; L334-E338 PolarHBondContact O-N 2.84Å; E338-L342 WeakPolarHBondContact O-CB 3.33Å; E338-L342 PolarHBondContact O-N 2.92Å
339N36.4Very low42.3Very low96 Ų96109 Ų10951%0.51357%0.565SS.*Hα-helixtrans-81.7-36.2175.4-70.4-23.8000113.7G335 L342 D343G335-N339 VanDerWaalsContact O-CB 3.26Å; G335-N339 WeakPolarHBondContact O-CB 3.11Å; G335-N339 PolarHBondContact O-N 3Å; G335-N339 PolarHBondContact O-ND2 3.48Å; G335-N339 VanDerWaalsContact O-ND2 3.14Å; N339-L342 CarbonylContact O-C 3.53Å; N339-L342 WeakPolarHBondContact O-CA 3.22Å; N339-L342 VanDerWaalsContact O-CB 3.25Å; N339-L342 WeakPolarHBondContact O-CB 3.11Å; N339-L342 PolarHBondContact O-N 3.14Å; N339-L342 VanDerWaalsContact O-N 3.15Å; N339-D343 PolarHBondContact O-N 3.15Å
340N34.7Very low41.6Very low94 Ų94112.5 Ų112.550%0.50358%0.582SS.*Hα-helixtrans-77.8-31.8179-67.5-16.3000111.8Q336 L342 D343 E344Q336-N340 WeakPolarHBondContact O-CA 3.5Å; Q336-N340 WeakPolarHBondContact O-CB 3.48Å; Q336-N340 PolarHBondContact O-N 2.78Å; Q336-N340 PolarHBondContact O-ND2 3.43Å; Q336-N340 PolarHBondContact O-OD1 2.78Å; N340-L342 PolarHBondContact O-N 3.33Å; N340-D343 PolarHBondContact O-N 2.81Å; N340-E344 PolarHBondContact O-N 2.88Å
341N39.6Very low40.3Very low113 Ų113111.2 Ų111.260%0.60458%0.58SS**Hα-helixtrans-68.2-24.2165.2-85.7-54.2000112.2M337 L345M337-N341 WeakPolarHBondContact O-CB 3.19Å; M337-N341 PolarHBondContact O-N 2.82Å; M337-N341 VanDerWaalsContact O-N 3.1Å; M337-N341 PolarHBondContact O-ND2 2.75Å; N341-L345 VanDerWaalsContact O-CB 3.22Å; N341-L345 WeakPolarHBondContact O-CB 3.49Å; N341-L345 PolarHBondContact O-N 2.74Å
342L37.7Very low39.1Very low102 Ų102112.7 Ų112.753%0.53459%0.589SS.*Hα-helixtrans-74.6-35.1173.2-15970.2000111E338 N339 N340 N346E338-L342 WeakPolarHBondContact O-CB 3.33Å; E338-L342 PolarHBondContact O-N 2.92Å; N339-L342 CarbonylContact O-C 3.53Å; N339-L342 WeakPolarHBondContact O-CA 3.22Å; N339-L342 VanDerWaalsContact O-CB 3.25Å; N339-L342 WeakPolarHBondContact O-CB 3.11Å; N339-L342 PolarHBondContact O-N 3.14Å; N339-L342 VanDerWaalsContact O-N 3.15Å; N340-L342 PolarHBondContact O-N 3.33Å; L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.41Å; L342-N346 PolarHBondContact O-ND2 2.85Å
343D38.8Very low37.9Very low105 Ų105119.2 Ų119.256%0.56161%0.612SS**Hα-helixtrans-85.9-32.9-177.3-77.3-17.8000114.5N339 N340N339-D343 PolarHBondContact O-N 3.15Å; N340-D343 PolarHBondContact O-N 2.81Å
344E37Very low37.1Very low168 Ų168126.3 Ų126.379%0.78564%0.635SS**Hα-helixtrans-78.7-27.2173.9-81.8-164.7146.800113.6N340 N346N340-E344 PolarHBondContact O-N 2.88Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 2.95Å
345L35.7Very low36.3Very low113 Ų113130.3 Ų130.359%0.59265%0.648SS**THydrogen-bonded Turntrans-81.3-8.7174.6-155.874.1000113.1N341N341-L345 VanDerWaalsContact O-CB 3.22Å; N341-L345 WeakPolarHBondContact O-CB 3.49Å; N341-L345 PolarHBondContact O-N 2.74Å
346N37.2Very low35.7Very low89 Ų89134.6 Ų134.648%0.47667%0.672SS.*THydrogen-bonded Turntrans-89.9-4-178.8-88.9-20.9000115L342 E344 I351L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.41Å; L342-N346 PolarHBondContact O-ND2 2.85Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 2.95Å; N346-I351 VanDerWaalsContact OD1-CD1 3.31Å; N346-I351 WeakPolarHBondContact OD1-CD1 3.49Å
347K42Very low35.3Very low196 Ų196139.4 Ų139.485%0.85269%0.691SS**SBendtrans-95.5-8.9174.7-76.6-178.9-178.9170.50114.9
348S39.7Very low34.9Very low90 Ų90141.3 Ų141.363%0.62970%0.698SS**SBendtrans-157.875.6176.259.40000113.1
349K32.8Very low34.5Very low177 Ų177139.8 Ų139.877%0.7769%0.694SS**SBendtrans178.7140.1143.9-96.6151.6-169.6177.70109.9I351K349-I351 PolarHBondContact O-N 3.02Å
350I43.2Very low34.3Very low172 Ų172139.2 Ų139.288%0.88269%0.691SS**  trans-61.5101.9176.4-64.4162.8000108.6V352I350-V352 PolarHBondContact O-N 2.88Å
351I29.4Very low34.7Very low99 Ų99139.1 Ų139.151%0.50870%0.696SS.*  trans-86.4108.3175.8-66170.7000108.8N346 K349 K353N346-I351 VanDerWaalsContact OD1-CD1 3.31Å; N346-I351 WeakPolarHBondContact OD1-CD1 3.49Å; K349-I351 PolarHBondContact O-N 3.02Å; I351-K353 PolarHBondContact O-N 3.36Å; I351-K353 VanDerWaalsContact O-N 3.15Å
352V30.6Very low35.3Very low127 Ų127137.1 Ų137.177%0.7768%0.682SS**  trans-55.2114.8156.7173.90000107.1I350 K354I350-V352 PolarHBondContact O-N 2.88Å; V352-K354 PolarHBondContact O-N 2.92Å
353K27.7Very low36.4Very low197 Ų197139.3 Ų139.386%0.85769%0.689SS**  trans-51.798173.7-72-175.6175.9-178.20109.6I351 K355I351-K353 PolarHBondContact O-N 3.36Å; I351-K353 VanDerWaalsContact O-N 3.15Å; K353-K355 PolarHBondContact O-N 2.81Å; K353-K355 VanDerWaalsContact O-N 3.12Å
354K30.9Very low38.1Very low205 Ų205135.5 Ų135.589%0.89167%0.669SS**  trans-68.3109.5167-122.5177.4-177.6172.20105.8V352V352-K354 PolarHBondContact O-N 2.92Å
355K26.5Very low40Very low188 Ų188133.9 Ų133.982%0.81766%0.659SS**  trans-50.8142.2170.3-80.8-178173.7-178.70109.1K353 K357K353-K355 PolarHBondContact O-N 2.81Å; K353-K355 VanDerWaalsContact O-N 3.12Å; K355-K357 PolarHBondContact O-N 2.66Å
356P28.7Very low42.1Very low116 Ų116132.5 Ų132.575%0.75366%0.655SS**  trans-51.7137.3171.621.7-31.4000109.1Q358P356-Q358 PolarHBondContact O-N 3.08Å
357K34.3Very low44.1Very low203 Ų203130.5 Ų130.588%0.88366%0.656SS**  trans-57.5102.7176.2-71.1175.6-179.4172.60107.5K355 L359K355-K357 PolarHBondContact O-N 2.66Å; K357-L359 PolarHBondContact O-N 2.69Å
358Q30.9Very low46Very low171 Ų171122.8 Ų122.880%0.79962%0.622SS**  trans-60.8112171.4-95.7-179.3-29.300107.8P356 N360P356-Q358 PolarHBondContact O-N 3.08Å; Q358-N360 PolarHBondContact O-N 3.13Å
359L30.6Very low48.2Very low115 Ų115120.4 Ų120.460%0.60260%0.601SS**  trans-55.7125.1159.8-74.6159.1000107.1V127 K357 P361V127-L359 HydrophobicContact CB-CD2 4.07Å; V127-L359 HydrophobicContact CG1-CD2 4.19Å; V127-L359 HydrophobicContact CG2-CD2 4.48Å; K357-L359 PolarHBondContact O-N 2.69Å; L359-P361 WeakPolarHBondContact O-CD 3.47Å
360N33.1Very low50.7Low83 Ų83112 Ų11244%0.44457%0.565SS.*  trans-94.1111.9171.9-115.8-11.9000107.6Q358 F362Q358-N360 PolarHBondContact O-N 3.13Å; N360-F362 HydrophobicContact CB-CD2 3.82Å; N360-F362 HydrophobicContact CB-CE2 3.99Å; N360-F362 VanDerWaalsContact ND2-CE2 3.34Å; N360-F362 WeakPolarHBondContact ND2-CE2 3.07Å; N360-F362 PolarHBondContact O-N 2.98Å; N360-F362 VanDerWaalsContact O-N 3.11Å; N360-F362 VanDerWaalsContact OD1-CE2 3.31Å; N360-F362 WeakPolarHBondContact OD1-CE2 3.3Å
361P43.2Very low52.7Low92 Ų92103.8 Ų103.860%0.59752%0.523SS*.  trans-8740.5-171.337.3-36.4000112.3L359 H363L359-P361 WeakPolarHBondContact O-CD 3.47Å; P361-H363 PolarHBondContact O-N 2.87Å; P361-H363 PolarHBondContact O-ND1 2.98Å
362F51.7Low55.4Low71 Ų71102 Ų10231%0.31151%0.51SS..  trans-76.9101.5-173.7-69-62.7000111N360 L364 P423N360-F362 HydrophobicContact CB-CD2 3.82Å; N360-F362 HydrophobicContact CB-CE2 3.99Å; N360-F362 VanDerWaalsContact ND2-CE2 3.34Å; N360-F362 WeakPolarHBondContact ND2-CE2 3.07Å; N360-F362 PolarHBondContact O-N 2.98Å; N360-F362 VanDerWaalsContact O-N 3.11Å; N360-F362 VanDerWaalsContact OD1-CE2 3.31Å; N360-F362 WeakPolarHBondContact OD1-CE2 3.3Å; F362-L364 PolarHBondContact O-N 2.77Å; F362-L364 VanDerWaalsContact O-N 3.1Å; F362-P423 HydrophobicContact CD2-CG 3.84Å; F362-P423 HydrophobicContact CE2-CG 4.16Å; F362-P423 HydrophobicContact CG-CG 4.27Å
363H61.1Low57.8Low148 Ų14898.2 Ų98.269%0.68548%0.484SS*.  trans-71.695.7165.9-64.882.3000108.1P361 K365 H368P361-H363 PolarHBondContact O-N 2.87Å; P361-H363 PolarHBondContact O-ND1 2.98Å; H363-K365 PolarHBondContact O-N 3.17Å; H363-H368 PolarHBondContact O-CE1 3.3Å
364L74.1Confident60.1Low26 Ų2692.1 Ų92.114%0.13646%0.455CS..  trans-67.1125.4176.7-66.5176.8000109.6F362 V370 I393 M418 L421 P423F362-L364 PolarHBondContact O-N 2.77Å; F362-L364 VanDerWaalsContact O-N 3.1Å; L364-V370 HydrophobicContact CD1-CG1 4.23Å; L364-V370 HydrophobicContact CD2-CG1 3.83Å; L364-I393 HydrophobicContact CB-CD1 3.83Å; L364-M418 HydrophobicContact CB-SD 4.29Å; L364-M418 HydrophobicContact CD1-SD 4.44Å; L364-L421 HydrophobicContact CD1-CB 3.78Å; L364-P423 HydrophobicContact CD2-CB 4.49Å
365K77.6Confident61.8Low134 Ų13489.3 Ų89.358%0.58344%0.443SS*.  trans-117.4165.7178.9-63.6-179.5-177.4177.50110.5H363 G367 H368 I393H363-K365 PolarHBondContact O-N 3.17Å; K365-G367 PolarHBondContact O-N 3.14Å; K365-H368 PolarHBondContact N-ND1 2.81Å; K365-H368 WeakPolarHBondContact O-CB 3.2Å; K365-H368 PolarHBondContact O-N 2.89Å; K365-I393 WeakPolarHBondContact O-CD1 3.22Å
366V78.9Confident63.6Low83 Ų8383.8 Ų83.850%0.50342%0.422SS..THydrogen-bonded Turntrans-53.7133.6168.7-179.70000109.5I393 D394 I396V366-I393 HydrophobicContact CG2-CG2 4.45Å; V366-D394 WeakPolarHBondContact CG1-O 3.48Å; V366-I396 HydrophobicContact CG2-CD1 4.15Å; V366-I396 HydrophobicContact CG2-CG1 3.91Å
367G79Confident64.8Low48 Ų4883.9 Ų83.950%0.49541%0.408SS..THydrogen-bonded Turntrans94.3-14-17700000115.5K365 I393K365-G367 PolarHBondContact O-N 3.14Å; G367-I393 PolarHBondContact N-O 3.21Å
368H81.8Confident65.9Low34 Ų3481.9 Ų81.916%0.15740%0.395CS..  trans-71.6138.1178.8-69.1-173.2000112.2H363 K365 I393 Y447H363-H368 PolarHBondContact O-CE1 3.3Å; K365-H368 PolarHBondContact N-ND1 2.81Å; K365-H368 WeakPolarHBondContact O-CB 3.2Å; K365-H368 PolarHBondContact O-N 2.89Å; H368-I393 HydrophobicContact CB-CD1 4.4Å; H368-I393 PolarHBondContact O-N 3.37Å; H368-Y447 HydrophobicContact CB-CE2 4.3Å; H368-Y447 AromaticContact CD2-CD2 3.58Å; H368-Y447 AromaticContact CD2-CE2 3.6Å; H368-Y447 AromaticContact CE1-CD2 3.77Å; H368-Y447 AromaticContact CE1-CE2 3.66Å; H368-Y447 AromaticContact CG-CE2 3.61Å; H368-Y447 AromaticContact ND1-CE2 3.64Å; H368-Y447 AromaticContact NE2-CD2 3.38Å; H368-Y447 WeakPolarHBondContact NE2-CD2 3.18Å; H368-Y447 AromaticContact NE2-CE2 3.66Å
369E85.5Confident67.2Low39 Ų3980.7 Ų80.718%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-76.4130.2168.6-71.3-172.4150.200110.4C391 V392 Y424 R426E369-C391 CarbonylContact C-O 3.53Å; E369-C391 WeakPolarHBondContact CA-O 3.08Å; E369-V392 HydrophobicContact CG-CG2 4.03Å; E369-Y424 HydrophobicContact CB-CD1 4.24Å; E369-Y424 PolarHBondContact O-N 2.98Å; E369-Y424 WeakPolarHBondContact OE2-CD1 3.42Å; E369-R426 IonicContact OE1-CZ 2.73Å; E369-R426 IonicContact OE1-NH1 3.19Å; E369-R426 PolarHBondContact OE1-NH1 3.33Å
370V86.8Confident68.3Low0 Ų079 Ų790%038%0.378CS..EExtended strand (participates in β ladder)trans-138.6153-175.1-63.70000111.8L364 C391 I393 L404 L421 K422L364-V370 HydrophobicContact CD1-CG1 4.23Å; L364-V370 HydrophobicContact CD2-CG1 3.83Å; V370-C391 PolarHBondContact N-O 3.09Å; V370-C391 PolarHBondContact O-N 3.01Å; V370-I393 HydrophobicContact CG1-CD1 3.96Å; V370-I393 HydrophobicContact CG1-CG1 4.17Å; V370-I393 HydrophobicContact CG2-CG1 4.03Å; V370-L404 HydrophobicContact CG2-CD1 4.23Å; V370-L404 HydrophobicContact CG2-CD2 3.8Å; V370-L421 HydrophobicContact CB-CB 4.43Å; V370-L421 HydrophobicContact CG2-CD1 4.43Å; V370-L421 HydrophobicContact CG2-CD2 4.27Å; V370-K422 CarbonylContact C-O 3.56Å; V370-K422 WeakPolarHBondContact CA-O 3.37Å; V370-K422 WeakPolarHBondContact CB-O 3.19Å
371L85.1Confident69.1Low0 Ų077.2 Ų77.20%038%0.379CS..EExtended strand (participates in β ladder)trans-97.2134.3163.2-61.3171.5000108.4Q119 V120 W387 L421 K422 Y424Q119-L371 HydrophobicContact CB-CD1 4.15Å; V120-L371 HydrophobicContact CG2-CD1 4.06Å; V120-L371 HydrophobicContact CG2-CD2 4.38Å; L371-W387 HydrophobicContact CB-CB 4.42Å; L371-W387 HydrophobicContact CB-CE3 4.22Å; L371-L421 WeakPolarHBondContact O-CA 3.37Å; L371-K422 HydrophobicContact CB-CD 4.47Å; L371-K422 HydrophobicContact CB-CG 3.76Å; L371-K422 HydrophobicContact CD1-CD 4.42Å; L371-K422 HydrophobicContact CD1-CG 4.31Å; L371-K422 HydrophobicContact CG-CG 4.48Å; L371-K422 PolarHBondContact N-O 3.41Å; L371-K422 PolarHBondContact O-N 3.23Å; L371-Y424 HydrophobicContact CD1-CD2 4.06Å; L371-Y424 HydrophobicContact CD2-CD2 3.78Å; L371-Y424 HydrophobicContact CD2-CE2 4.36Å; L371-Y424 HydrophobicContact CG-CD2 3.86Å; L371-Y424 HydrophobicContact CG-CG 4.5Å
372R85.6Confident69.6Low63 Ų6384.6 Ų84.624%0.23840%0.396CS..EExtended strand (participates in β ladder)trans-101.7144.6176.664.5176-178.790.1-2.7111.5V388 L404 I416 L421R372-V388 HydrophobicContact CG-CB 4.36Å; R372-V388 VanDerWaalsContact CG-O 3.31Å; R372-V388 WeakPolarHBondContact CG-O 3.31Å; R372-V388 PolarHBondContact N-O 3.26Å; R372-V388 PolarHBondContact O-N 3.29Å; R372-L404 HydrophobicContact CB-CD1 3.96Å; R372-L404 HydrophobicContact CG-CD1 4.44Å; R372-I416 HydrophobicContact CB-CD1 3.89Å; R372-I416 HydrophobicContact CG-CD1 4.33Å; R372-L421 HydrophobicContact CB-CD2 3.76Å
373Q81.6Confident69.7Low47 Ų4791 Ų9122%0.2242%0.424CS..EExtended strand (participates in β ladder)trans-71.1140.3173.8-156.3-177.625.100111.2E386 W387 H420Q373-E386 HydrophobicContact CG-CG 3.79Å; Q373-E386 PolarHBondContact NE2-OE1 3.02Å; Q373-W387 HydrophobicContact CB-CE3 4.34Å; Q373-W387 HydrophobicContact CB-CH2 4.42Å; Q373-W387 HydrophobicContact CB-CZ3 4.13Å; Q373-H420 HydrophobicContact CB-CB 4.09Å; Q373-H420 PolarHBondContact N-O 2.84Å; Q373-H420 PolarHBondContact OE1-CD2 2.79Å
374R75.8Confident69.6Low68 Ų6889.3 Ų89.326%0.25742%0.416SS..PPolyproline II helixtrans-77.3137.6176.5-164.5-167.5-63.7-163.52.2110.8W377 D380 E386 V388R374-W377 HydrophobicContact CB-CB 4.45Å; R374-D380 IonicContact NH1-OD2 3.37Å; R374-D380 PolarHBondContact NH1-OD2 3.13Å; R374-E386 PolarHBondContact N-O 3.28Å; R374-V388 HydrophobicContact CB-CG2 4.13Å; R374-V388 HydrophobicContact CG-CG2 4.41Å
375K66.6Low69.2Low146 Ų14689.9 Ų89.964%0.63542%0.422SS*.THydrogen-bonded Turntrans-69.5137.8169.5-70.9-167.6177.3-165.40109.9W377K375-W377 VanDerWaalsContact C-N 3.31Å; K375-W377 PolarHBondContact O-N 2.9Å
376N63.5Low69.1Low73 Ų7384.6 Ų84.639%0.3940%0.399SS..THydrogen-bonded Turntrans60.531179.4-54.3-23.3000114.8W378 K379N376-W378 HydrophobicContact CB-CZ2 4.34Å; N376-W378 PolarHBondContact O-N 3.49Å; N376-W378 WeakPolarHBondContact OD1-CZ2 3.3Å; N376-K379 HydrophobicContact CB-CB 4.41Å; N376-K379 HydrophobicContact CB-CD 4.17Å; N376-K379 HydrophobicContact CB-CG 4.19Å; N376-K379 WeakPolarHBondContact O-CB 3.45Å; N376-K379 PolarHBondContact O-N 2.95Å
377W55Low69.2Low117 Ų11781.3 Ų81.344%0.44338%0.378SS..THydrogen-bonded Turntrans-53.7-25.9179.367.4-97.1000113.6R374 K375 K379 E386R374-W377 HydrophobicContact CB-CB 4.45Å; K375-W377 VanDerWaalsContact C-N 3.31Å; K375-W377 PolarHBondContact O-N 2.9Å; W377-K379 VanDerWaalsContact C-N 3.27Å; W377-K379 PolarHBondContact O-N 3.32Å; W377-E386 HydrophobicContact CB-CG 4.28Å; W377-E386 HydrophobicContact CD2-CG 4.18Å; W377-E386 HydrophobicContact CG-CG 3.94Å; W377-E386 PolarHBondContact NE1-OE1 3.3Å
378W57.4Low69.3Low162 Ų16281.2 Ų81.261%0.61437%0.368SS*.THydrogen-bonded Turntrans-70.6-15.4175.66190.6000114.6N376N376-W378 HydrophobicContact CB-CZ2 4.34Å; N376-W378 PolarHBondContact O-N 3.49Å; N376-W378 WeakPolarHBondContact OD1-CZ2 3.3Å
379K56.9Low69.2Low145 Ų14580.8 Ų80.863%0.6337%0.373SS*.THydrogen-bonded Turntrans-88.7-25.4-179.3-66.7-166.8178.6-173.20113.8N376 W377 G381N376-K379 HydrophobicContact CB-CB 4.41Å; N376-K379 HydrophobicContact CB-CD 4.17Å; N376-K379 HydrophobicContact CB-CG 4.19Å; N376-K379 WeakPolarHBondContact O-CB 3.45Å; N376-K379 PolarHBondContact O-N 2.95Å; W377-K379 VanDerWaalsContact C-N 3.27Å; W377-K379 PolarHBondContact O-N 3.32Å; K379-G381 VanDerWaalsContact C-N 3.31Å; K379-G381 PolarHBondContact O-N 3.16Å
380D53Low69.3Low80 Ų8080.5 Ų80.543%0.42837%0.374SS..SBendtrans-89.614.5-170.2-66.3-18000114.2R374R374-D380 IonicContact NH1-OD2 3.37Å; R374-D380 PolarHBondContact NH1-OD2 3.13Å
381G51Low69.3Low45 Ų4580.9 Ų80.946%0.46438%0.377SS..  trans81.1157.4178.800000114.4K379 F383K379-G381 VanDerWaalsContact C-N 3.31Å; K379-G381 PolarHBondContact O-N 3.16Å; G381-F383 PolarHBondContact O-N 3.42Å
382R53.5Low69.5Low248 Ų24883.1 Ų83.194%0.93639%0.39SS*.THydrogen-bonded Turntrans-65.61.2-169.4-64.6-174.6-165.6179.54.8116.2
383F54.8Low69.5Low206 Ų20680.1 Ų80.190%0.90438%0.379SS*.THydrogen-bonded Turntrans-113.4-6.1-169.6-62.4-73.8000114.7G381G381-F383 PolarHBondContact O-N 3.42Å
384Q58Low69.6Low111 Ų11179 Ų7952%0.51937%0.374SS..SBendtrans-96.8138.6177.2-60.6-16619.400110.8E386Q384-E386 PolarHBondContact O-N 2.86Å
385S65.1Low69.8Low39 Ų3980.9 Ų80.927%0.27338%0.382SS..  trans-66.4138.2177.5-174.10000112V120 W387V120-S385 WeakPolarHBondContact CG1-OG 3.44Å; V120-S385 PolarHBondContact O-OG 2.97Å; S385-W387 PolarHBondContact O-N 3.34Å; S385-W387 PolarHBondContact OG-N 3.14Å
386E75.8Confident70.4Confident22 Ų2277 Ų7710%0.10337%0.368CS..SBendtrans-65.3-22.4175.4-179.3173.6-175.900112.9N123 Q373 R374 W377 Q384N123-E386 PolarHBondContact ND2-OE2 3.38Å; N123-E386 PolarHBondContact OD1-OE2 2.95Å; Q373-E386 HydrophobicContact CG-CG 3.79Å; Q373-E386 PolarHBondContact NE2-OE1 3.02Å; R374-E386 PolarHBondContact N-O 3.28Å; W377-E386 HydrophobicContact CB-CG 4.28Å; W377-E386 HydrophobicContact CD2-CG 4.18Å; W377-E386 HydrophobicContact CG-CG 3.94Å; W377-E386 PolarHBondContact NE1-OE1 3.3Å; Q384-E386 PolarHBondContact O-N 2.86Å
387W82.4Confident70.9Confident15 Ų1575.2 Ų75.26%0.05736%0.359CS..EExtended strand (participates in β ladder)trans-109138.4-173.3-62.189.8000112.5N123 I126 L371 Q373 S385 H420 K422N123-W387 PolarHBondContact OD1-NE1 3.44Å; I126-W387 HydrophobicContact CD1-CH2 4.06Å; L371-W387 HydrophobicContact CB-CB 4.42Å; L371-W387 HydrophobicContact CB-CE3 4.22Å; Q373-W387 HydrophobicContact CB-CE3 4.34Å; Q373-W387 HydrophobicContact CB-CH2 4.42Å; Q373-W387 HydrophobicContact CB-CZ3 4.13Å; S385-W387 PolarHBondContact O-N 3.34Å; S385-W387 PolarHBondContact OG-N 3.14Å; W387-H420 WeakPolarHBondContact CZ3-O 3.33Å; W387-K422 HydrophobicContact CD2-CD 3.62Å; W387-K422 VanDerWaalsContact CD2-CE 3.43Å; W387-K422 HydrophobicContact CD2-CG 4.2Å; W387-K422 HydrophobicContact CE3-CD 3.69Å; W387-K422 HydrophobicContact CE3-CG 3.73Å; W387-K422 HydrophobicContact CG-CD 4.19Å; W387-K422 VanDerWaalsContact CG-CE 3.46Å; W387-K422 HydrophobicContact CH2-CB 4.26Å; W387-K422 HydrophobicContact CH2-CD 4.08Å; W387-K422 HydrophobicContact CH2-CG 4.24Å; W387-K422 HydrophobicContact CZ2-CD 4.02Å; W387-K422 HydrophobicContact CZ3-CB 4.07Å; W387-K422 HydrophobicContact CZ3-CD 3.92Å; W387-K422 HydrophobicContact CZ3-CG 3.75Å
388V80.9Confident71.3Confident45 Ų4579.6 Ų79.627%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-130.2138.9-177.1-1780000109.5R372 R374R372-V388 HydrophobicContact CG-CB 4.36Å; R372-V388 VanDerWaalsContact CG-O 3.31Å; R372-V388 WeakPolarHBondContact CG-O 3.31Å; R372-V388 PolarHBondContact N-O 3.26Å; R372-V388 PolarHBondContact O-N 3.29Å; R374-V388 HydrophobicContact CB-CG2 4.13Å; R374-V388 HydrophobicContact CG-CG2 4.41Å
389G79.9Confident71.5Confident26 Ų2676.5 Ų76.527%0.26839%0.388SS..EExtended strand (participates in β ladder)trans154.6-165.7178.400000110.6
390P86.6Confident72.1Confident32 Ų3271.4 Ų71.421%0.20838%0.377CS..EExtended strand (participates in β ladder)cis-72.8154.49.429.4-35.7000114.5Y424P390-Y424 HydrophobicContact CB-CD1 3.67Å; P390-Y424 HydrophobicContact CB-CD2 4.27Å; P390-Y424 HydrophobicContact CB-CE1 3.85Å; P390-Y424 HydrophobicContact CB-CE2 4.42Å; P390-Y424 HydrophobicContact CB-CG 3.87Å; P390-Y424 HydrophobicContact CG-CD1 4.35Å; P390-Y424 HydrophobicContact CG-CE1 4.02Å
391C87.3Confident73.3Confident8 Ų868.8 Ų68.85%0.05436%0.364CS..EExtended strand (participates in β ladder)trans-137.7156.7172.2-60.70000109.3E369 V370 L404 R405E369-C391 CarbonylContact C-O 3.53Å; E369-C391 WeakPolarHBondContact CA-O 3.08Å; V370-C391 PolarHBondContact N-O 3.09Å; V370-C391 PolarHBondContact O-N 3.01Å; C391-L404 HydrophobicContact CB-CB 4.25Å; C391-L404 HydrophobicContact CB-CD1 4.02Å; C391-R405 CarbonylContact C-O 3.54Å; C391-R405 VanDerWaalsContact CA-O 3.3Å; C391-R405 WeakPolarHBondContact CA-O 3.46Å; C391-R405 WeakPolarHBondContact CB-O 3.39Å
392V88.3Confident74.8Confident47 Ų4766.6 Ų66.629%0.28534%0.342SS..EExtended strand (participates in β ladder)trans-106.9138.7177.31800000110E369 D394 L404 R405E369-V392 HydrophobicContact CG-CG2 4.03Å; V392-D394 PolarHBondContact O-N 3.27Å; V392-L404 CarbonylContact O-C 3.57Å; V392-L404 WeakPolarHBondContact O-CA 3.31Å; V392-R405 PolarHBondContact N-O 2.93Å; V392-R405 PolarHBondContact O-N 3.22Å
393I85.3Confident76.4Confident1 Ų155.2 Ų55.21%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-70.4113.8170.7-60.4177000108.8L364 K365 V366 G367 H368 V370 I396 A402 L404 L421L364-I393 HydrophobicContact CB-CD1 3.83Å; K365-I393 WeakPolarHBondContact O-CD1 3.22Å; V366-I393 HydrophobicContact CG2-CG2 4.45Å; G367-I393 PolarHBondContact N-O 3.21Å; H368-I393 HydrophobicContact CB-CD1 4.4Å; H368-I393 PolarHBondContact O-N 3.37Å; V370-I393 HydrophobicContact CG1-CD1 3.96Å; V370-I393 HydrophobicContact CG1-CG1 4.17Å; V370-I393 HydrophobicContact CG2-CG1 4.03Å; I393-I396 HydrophobicContact CG2-CG1 4Å; I393-A402 HydrophobicContact CG1-CB 4.46Å; I393-A402 HydrophobicContact CG2-CB 4.07Å; I393-L404 HydrophobicContact CB-CD2 4.32Å; I393-L404 HydrophobicContact CG1-CD2 3.71Å; I393-L421 HydrophobicContact CD1-CD1 4.48Å
394D83.9Confident78Confident22 Ų2245.4 Ų45.412%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-83.8-45.8-178-169.849.7000112V366 V392 V403 R405 R411V366-D394 WeakPolarHBondContact CG1-O 3.48Å; V392-D394 PolarHBondContact O-N 3.27Å; D394-V403 WeakPolarHBondContact CB-O 3.31Å; D394-V403 PolarHBondContact N-O 3.29Å; D394-R405 HydrophobicContact CB-CB 4.44Å; D394-R405 IonicContact OD1-CZ 2.82Å; D394-R405 IonicContact OD1-NE 3.2Å; D394-R405 PolarHBondContact OD1-NE 2.93Å; D394-R405 IonicContact OD1-NH2 2.75Å; D394-R405 PolarHBondContact OD1-NH2 2.85Å; D394-R411 IonicContact OD1-NH2 3.58Å; D394-R411 IonicContact OD2-CZ 3.76Å; D394-R411 IonicContact OD2-NE 3.92Å; D394-R411 PolarHBondContact OD2-NE 2.62Å; D394-R411 IonicContact OD2-NH2 3.01Å; D394-R411 PolarHBondContact OD2-NH2 3.41Å
395Y80.8Confident79.5Confident109 Ų10944.9 Ų44.943%0.42725%0.25SS..EExtended strand (participates in β ladder)trans-159.1163.716966.3-85.2000110.6T397 V403Y395-T397 HydrophobicContact CE2-CG2 4.02Å; Y395-V403 HydrophobicContact CD1-CB 4.07Å; Y395-V403 HydrophobicContact CD1-CG1 4.44Å; Y395-V403 HydrophobicContact CE1-CB 3.69Å; Y395-V403 HydrophobicContact CE1-CG1 3.81Å; Y395-V403 HydrophobicContact CE1-CG2 3.98Å; Y395-V403 HydrophobicContact CE2-CB 4.32Å; Y395-V403 HydrophobicContact CE2-CG2 3.89Å; Y395-V403 PolarHBondContact O-N 2.99Å
396I79.8Confident80.4Confident65 Ų6545.1 Ų45.133%0.33325%0.249SC..EExtended strand (participates in β ladder)trans-110.9127.4178.3-56.4172.5000107.7V366 I393 M418V366-I396 HydrophobicContact CG2-CD1 4.15Å; V366-I396 HydrophobicContact CG2-CG1 3.91Å; I393-I396 HydrophobicContact CG2-CG1 4Å; I396-M418 HydrophobicContact CB-CE 4.17Å; I396-M418 HydrophobicContact CD1-CE 3.42Å; I396-M418 VanDerWaalsContact CD1-CE 3.42Å; I396-M418 HydrophobicContact CG1-CE 3.47Å; I396-M418 VanDerWaalsContact CG1-CE 3.47Å; I396-M418 HydrophobicContact CG2-CE 3.64Å
397T74Confident80.5Confident34 Ų3450.7 Ų50.721%0.20928%0.279CS..  trans-73.7157.5176.961.30000111.1Y395 S399 G400 C401 V403Y395-T397 HydrophobicContact CE2-CG2 4.02Å; T397-S399 PolarHBondContact O-N 3Å; T397-S399 VanDerWaalsContact O-N 3.14Å; T397-S399 PolarHBondContact OG1-OG 2.99Å; T397-G400 PolarHBondContact O-N 2.97Å; T397-C401 PolarHBondContact N-O 3.46Å; T397-C401 WeakPolarHBondContact OG1-CB 3.38Å; T397-C401 PolarHBondContact OG1-N 3.14Å; T397-C401 VanDerWaalsContact OG1-N 3.11Å; T397-C401 PolarHBondContact OG1-O 3.47Å; T397-V403 HydrophobicContact CG2-CG2 4.28Å
398E63.4Low80.3Confident209 Ų20954.7 Ų54.798%0.97731%0.306SS*.THydrogen-bonded Turntrans-56.7-29.3175.8-63.9176.9-179.600112.8G400E398-G400 PolarHBondContact O-N 3.3Å
399S60.5Low80Confident97 Ų9754.4 Ų54.468%0.67831%0.312SS*.THydrogen-bonded Turntrans-73.81.8174.571.10000115.1T397 C401T397-S399 PolarHBondContact O-N 3Å; T397-S399 VanDerWaalsContact O-N 3.14Å; T397-S399 PolarHBondContact OG1-OG 2.99Å; S399-C401 PolarHBondContact O-N 3.01Å
400G69.4Low80.2Confident39 Ų3957.3 Ų57.340%0.40232%0.324SS..SBendtrans77.314.9-179.200000115.1T397 E398 M418T397-G400 PolarHBondContact O-N 2.97Å; E398-G400 PolarHBondContact O-N 3.3Å; G400-M418 VanDerWaalsContact O-CG 3.28Å; G400-M418 WeakPolarHBondContact O-CG 3.37Å
401C78.9Confident80.2Confident24 Ų2463 Ų6316%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-96143.4172.2-64.40000111.5T397 S399 P415T397-C401 PolarHBondContact N-O 3.46Å; T397-C401 WeakPolarHBondContact OG1-CB 3.38Å; T397-C401 PolarHBondContact OG1-N 3.14Å; T397-C401 VanDerWaalsContact OG1-N 3.11Å; T397-C401 PolarHBondContact OG1-O 3.47Å; S399-C401 PolarHBondContact O-N 3.01Å; C401-P415 HydrophobicContact CB-CB 3.8Å
402A82.6Confident80Confident0 Ų064.6 Ų64.60%035%0.349CS..EExtended strand (participates in β ladder)trans-94135.6176.700000112I393 L404 P415 I416 M418 L421I393-A402 HydrophobicContact CG1-CB 4.46Å; I393-A402 HydrophobicContact CG2-CB 4.07Å; A402-L404 HydrophobicContact CB-CD2 4.22Å; A402-P415 WeakPolarHBondContact O-CA 3.39Å; A402-I416 PolarHBondContact N-O 2.98Å; A402-I416 PolarHBondContact O-N 2.95Å; A402-M418 HydrophobicContact CB-CE 3.72Å; A402-M418 HydrophobicContact CB-SD 3.89Å; A402-L421 HydrophobicContact CB-CD1 3.71Å
403V86.5Confident79.4Confident8 Ų872.6 Ų72.65%0.04838%0.38CS..EExtended strand (participates in β ladder)trans-94.4130.7165.1178.40000108.2D394 Y395 T397 P415D394-V403 WeakPolarHBondContact CB-O 3.31Å; D394-V403 PolarHBondContact N-O 3.29Å; Y395-V403 HydrophobicContact CD1-CB 4.07Å; Y395-V403 HydrophobicContact CD1-CG1 4.44Å; Y395-V403 HydrophobicContact CE1-CB 3.69Å; Y395-V403 HydrophobicContact CE1-CG1 3.81Å; Y395-V403 HydrophobicContact CE1-CG2 3.98Å; Y395-V403 HydrophobicContact CE2-CB 4.32Å; Y395-V403 HydrophobicContact CE2-CG2 3.89Å; Y395-V403 PolarHBondContact O-N 2.99Å; T397-V403 HydrophobicContact CG2-CG2 4.28Å; V403-P415 HydrophobicContact CG2-CB 4.13Å; V403-P415 HydrophobicContact CG2-CG 4Å
404L89.2Confident79.2Confident0 Ų080.6 Ų80.60%041%0.41CS..EExtended strand (participates in β ladder)trans-109.4149-172.4-60.8-172.5000111.8V370 R372 C391 V392 I393 A402 L412 I416 L421V370-L404 HydrophobicContact CG2-CD1 4.23Å; V370-L404 HydrophobicContact CG2-CD2 3.8Å; R372-L404 HydrophobicContact CB-CD1 3.96Å; R372-L404 HydrophobicContact CG-CD1 4.44Å; C391-L404 HydrophobicContact CB-CB 4.25Å; C391-L404 HydrophobicContact CB-CD1 4.02Å; V392-L404 CarbonylContact O-C 3.57Å; V392-L404 WeakPolarHBondContact O-CA 3.31Å; I393-L404 HydrophobicContact CB-CD2 4.32Å; I393-L404 HydrophobicContact CG1-CD2 3.71Å; A402-L404 HydrophobicContact CB-CD2 4.22Å; L404-L412 HydrophobicContact CB-CD1 3.6Å; L404-L412 HydrophobicContact CD1-CD1 4.31Å; L404-L412 WeakPolarHBondContact O-CB 3.46Å; L404-L412 PolarHBondContact O-N 2.63Å; L404-I416 HydrophobicContact CD1-CD1 3.75Å; L404-I416 HydrophobicContact CG-CD1 4.39Å; L404-L421 HydrophobicContact CD1-CD2 3.76Å; L404-L421 HydrophobicContact CD2-CD1 4.15Å
405R88.4Confident79.2Confident100 Ų10083.1 Ų83.138%0.37743%0.427SS..EExtended strand (participates in β ladder)trans-107.5132.6169.2-163.9-173.9-61-170.9-1.3109.3C391 V392 D394 G409 V410C391-R405 CarbonylContact C-O 3.54Å; C391-R405 VanDerWaalsContact CA-O 3.3Å; C391-R405 WeakPolarHBondContact CA-O 3.46Å; C391-R405 WeakPolarHBondContact CB-O 3.39Å; V392-R405 PolarHBondContact N-O 2.93Å; V392-R405 PolarHBondContact O-N 3.22Å; D394-R405 HydrophobicContact CB-CB 4.44Å; D394-R405 IonicContact OD1-CZ 2.82Å; D394-R405 IonicContact OD1-NE 3.2Å; D394-R405 PolarHBondContact OD1-NE 2.93Å; D394-R405 IonicContact OD1-NH2 2.75Å; D394-R405 PolarHBondContact OD1-NH2 2.85Å; R405-G409 WeakPolarHBondContact CD-O 3.32Å; R405-G409 VanDerWaalsContact CG-O 3.25Å; R405-G409 WeakPolarHBondContact CG-O 3.31Å; R405-V410 WeakPolarHBondContact CA-O 3.17Å
406D84.1Confident79.3Confident45 Ų4579.2 Ų79.224%0.24141%0.414CS..  trans-78.6178.5174.566.725.7000112.3T408 G409 V410D406-T408 VanDerWaalsContact CG-OG1 3.32Å; D406-T408 PolarHBondContact O-N 3.25Å; D406-T408 WeakPolarHBondContact OD1-CA 3.46Å; D406-T408 WeakPolarHBondContact OD1-CB 3.24Å; D406-T408 PolarHBondContact OD1-N 3.01Å; D406-T408 PolarHBondContact OD1-OG1 3.41Å; D406-T408 PolarHBondContact OD2-OG1 3.11Å; D406-G409 PolarHBondContact O-N 3.01Å; D406-G409 PolarHBondContact OD1-N 2.81Å; D406-G409 VanDerWaalsContact OD1-N 3.16Å; D406-V410 PolarHBondContact N-O 3.39Å; D406-V410 PolarHBondContact OD1-N 3.22Å
407N77.6Confident79.2Confident139 Ų13982.3 Ų82.374%0.74343%0.425SS*.THydrogen-bonded Turntrans-65.4-14.9179.163.1-5.3000114.1G409N407-G409 VanDerWaalsContact C-N 3.33Å
408T78.9Confident79.2Confident99 Ų9983 Ų8361%0.60743%0.426SS*.THydrogen-bonded Turntrans-89.1-4.8174.771.90000112.5D406 V410D406-T408 VanDerWaalsContact CG-OG1 3.32Å; D406-T408 PolarHBondContact O-N 3.25Å; D406-T408 WeakPolarHBondContact OD1-CA 3.46Å; D406-T408 WeakPolarHBondContact OD1-CB 3.24Å; D406-T408 PolarHBondContact OD1-N 3.01Å; D406-T408 PolarHBondContact OD1-OG1 3.41Å; D406-T408 PolarHBondContact OD2-OG1 3.11Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 WeakPolarHBondContact OG1-CG2 3.46Å
409G75.1Confident79.7Confident39 Ų3975.6 Ų75.640%0.40240%0.398SS..SBendtrans87.12-176.300000113.8R405 D406 N407R405-G409 WeakPolarHBondContact CD-O 3.32Å; R405-G409 VanDerWaalsContact CG-O 3.25Å; R405-G409 WeakPolarHBondContact CG-O 3.31Å; D406-G409 PolarHBondContact O-N 3.01Å; D406-G409 PolarHBondContact OD1-N 2.81Å; D406-G409 VanDerWaalsContact OD1-N 3.16Å; N407-G409 VanDerWaalsContact C-N 3.33Å
410V83.3Confident80.5Confident86 Ų8674.7 Ų74.752%0.52138%0.383SS..PPolyproline II helixtrans-83.9136.5-177.9177.30000110.4R405 D406 T408R405-V410 WeakPolarHBondContact CA-O 3.17Å; D406-V410 PolarHBondContact N-O 3.39Å; D406-V410 PolarHBondContact OD1-N 3.22Å; T408-V410 VanDerWaalsContact C-N 3.34Å; T408-V410 WeakPolarHBondContact OG1-CG2 3.46Å
411R86.3Confident81Confident152 Ų15273 Ų7357%0.57436%0.364SS*.BIsolated β-bridgetrans-75.5130.7177.3-72175.8168.9172.2-5111D394 K413D394-R411 IonicContact OD1-NH2 3.58Å; D394-R411 IonicContact OD2-CZ 3.76Å; D394-R411 IonicContact OD2-NE 3.92Å; D394-R411 PolarHBondContact OD2-NE 2.62Å; D394-R411 IonicContact OD2-NH2 3.01Å; D394-R411 PolarHBondContact OD2-NH2 3.41Å; R411-K413 PolarHBondContact O-N 3.01Å
412L83.7Confident81.1Confident42 Ų4272.1 Ų72.122%0.2236%0.358CS..PPolyproline II helixtrans-70.4127.1171.3-76.5157.5000109.6L404 R414L404-L412 HydrophobicContact CB-CD1 3.6Å; L404-L412 HydrophobicContact CD1-CD1 4.31Å; L404-L412 WeakPolarHBondContact O-CB 3.46Å; L404-L412 PolarHBondContact O-N 2.63Å; L412-R414 PolarHBondContact O-N 3.26Å
413K76.8Confident81.1Confident214 Ų21473.8 Ų73.893%0.9337%0.368SS*.SBendtrans-62.3-16.7-174.3-64-174.7179-176.80115.1R411R411-K413 PolarHBondContact O-N 3.01Å
414R80.4Confident80.9Confident170 Ų17074.4 Ų74.464%0.64237%0.37SS*.SBendtrans-121.7125.8-173.8-71.8-177.7175156.8-6.1110.6L412L412-R414 PolarHBondContact O-N 3.26Å
415P83.4Confident80.5Confident74 Ų7476 Ų7648%0.48138%0.378SS..  trans-58.9143.6168.4-20.431.2000111.3C401 A402 V403C401-P415 HydrophobicContact CB-CB 3.8Å; A402-P415 WeakPolarHBondContact O-CA 3.39Å; V403-P415 HydrophobicContact CG2-CB 4.13Å; V403-P415 HydrophobicContact CG2-CG 4Å
416I82.1Confident80.1Confident28 Ų2877.4 Ų77.414%0.14438%0.383CS..EExtended strand (participates in β ladder)trans-116.8134.1-179.5-54.7-173.2000108.8R372 A402 L404 H420 L421R372-I416 HydrophobicContact CB-CD1 3.89Å; R372-I416 HydrophobicContact CG-CD1 4.33Å; A402-I416 PolarHBondContact N-O 2.98Å; A402-I416 PolarHBondContact O-N 2.95Å; L404-I416 HydrophobicContact CD1-CD1 3.75Å; L404-I416 HydrophobicContact CG-CD1 4.39Å; I416-H420 HydrophobicContact CG2-CB 3.9Å; I416-L421 HydrophobicContact CB-CD2 4.25Å; I416-L421 HydrophobicContact CG2-CD2 3.74Å; I416-L421 HydrophobicContact CG2-CG 4.2Å
417K78.4Confident79.3Confident130 Ų13078.8 Ų78.857%0.56539%0.388SS*.EExtended strand (participates in β ladder)trans-61.1140174.8-66.4-172.7177-172.20110.2S419 H420K417-S419 PolarHBondContact O-N 3.46Å; K417-S419 VanDerWaalsContact O-N 3.15Å; K417-H420 PolarHBondContact O-N 3.42Å
418M75.3Confident78.3Confident49 Ų4977.3 Ų77.324%0.24139%0.389CS..G310 helixtrans-56.7-32.2179-68.9-64.2-171.200113.3L364 I396 G400 A402 H420 L421L364-M418 HydrophobicContact CB-SD 4.29Å; L364-M418 HydrophobicContact CD1-SD 4.44Å; I396-M418 HydrophobicContact CB-CE 4.17Å; I396-M418 HydrophobicContact CD1-CE 3.42Å; I396-M418 VanDerWaalsContact CD1-CE 3.42Å; I396-M418 HydrophobicContact CG1-CE 3.47Å; I396-M418 VanDerWaalsContact CG1-CE 3.47Å; I396-M418 HydrophobicContact CG2-CE 3.64Å; G400-M418 VanDerWaalsContact O-CG 3.28Å; G400-M418 WeakPolarHBondContact O-CG 3.37Å; A402-M418 HydrophobicContact CB-CE 3.72Å; A402-M418 HydrophobicContact CB-SD 3.89Å; M418-H420 PolarHBondContact O-N 3.03Å; M418-L421 PolarHBondContact O-N 3.29Å; M418-L421 VanDerWaalsContact O-N 3.16Å; M418-L421 HydrophobicContact SD-CD1 4.07Å
419S71.9Confident76.7Confident53 Ų5375.7 Ų75.737%0.37138%0.382SS..G310 helixtrans-62.4-19.7175.757.60000114.3K417K417-S419 PolarHBondContact O-N 3.46Å; K417-S419 VanDerWaalsContact O-N 3.15Å
420H79Confident75.1Confident78 Ų7879.5 Ų79.536%0.36139%0.389SS..G310 helixtrans-100.614.6-179.7-59.2173.1000112.4Q373 W387 I416 K417 M418Q373-H420 HydrophobicContact CB-CB 4.09Å; Q373-H420 PolarHBondContact N-O 2.84Å; Q373-H420 PolarHBondContact OE1-CD2 2.79Å; W387-H420 WeakPolarHBondContact CZ3-O 3.33Å; I416-H420 HydrophobicContact CG2-CB 3.9Å; K417-H420 PolarHBondContact O-N 3.42Å; M418-H420 PolarHBondContact O-N 3.03Å
421L79.8Confident72.9Confident2 Ų283.3 Ų83.31%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-120.2136178.8-57.4-178.5000109.9I126 L364 V370 L371 R372 I393 A402 L404 I416 M418I126-L421 WeakPolarHBondContact CD1-O 3.43Å; L364-L421 HydrophobicContact CD1-CB 3.78Å; V370-L421 HydrophobicContact CB-CB 4.43Å; V370-L421 HydrophobicContact CG2-CD1 4.43Å; V370-L421 HydrophobicContact CG2-CD2 4.27Å; L371-L421 WeakPolarHBondContact O-CA 3.37Å; R372-L421 HydrophobicContact CB-CD2 3.76Å; I393-L421 HydrophobicContact CD1-CD1 4.48Å; A402-L421 HydrophobicContact CB-CD1 3.71Å; L404-L421 HydrophobicContact CD1-CD2 3.76Å; L404-L421 HydrophobicContact CD2-CD1 4.15Å; I416-L421 HydrophobicContact CB-CD2 4.25Å; I416-L421 HydrophobicContact CG2-CD2 3.74Å; I416-L421 HydrophobicContact CG2-CG 4.2Å; M418-L421 PolarHBondContact O-N 3.29Å; M418-L421 VanDerWaalsContact O-N 3.16Å; M418-L421 HydrophobicContact SD-CD1 4.07Å
422K80.1Confident70.3Confident7 Ų785.3 Ų85.33%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-121.8147.1168.767.4-173.3-173.3-1690110.4Q119 K122 I126 V370 L371 W387Q119-K422 WeakPolarHBondContact O-CE 3.43Å; Q119-K422 PolarHBondContact O-NZ 2.95Å; K122-K422 PolarHBondContact O-NZ 3.28Å; I126-K422 HydrophobicContact CD1-CB 3.84Å; V370-K422 CarbonylContact C-O 3.56Å; V370-K422 WeakPolarHBondContact CA-O 3.37Å; V370-K422 WeakPolarHBondContact CB-O 3.19Å; L371-K422 HydrophobicContact CB-CD 4.47Å; L371-K422 HydrophobicContact CB-CG 3.76Å; L371-K422 HydrophobicContact CD1-CD 4.42Å; L371-K422 HydrophobicContact CD1-CG 4.31Å; L371-K422 HydrophobicContact CG-CG 4.48Å; L371-K422 PolarHBondContact N-O 3.41Å; L371-K422 PolarHBondContact O-N 3.23Å; W387-K422 HydrophobicContact CD2-CD 3.62Å; W387-K422 VanDerWaalsContact CD2-CE 3.43Å; W387-K422 HydrophobicContact CD2-CG 4.2Å; W387-K422 HydrophobicContact CE3-CD 3.69Å; W387-K422 HydrophobicContact CE3-CG 3.73Å; W387-K422 HydrophobicContact CG-CD 4.19Å; W387-K422 VanDerWaalsContact CG-CE 3.46Å; W387-K422 HydrophobicContact CH2-CB 4.26Å; W387-K422 HydrophobicContact CH2-CD 4.08Å; W387-K422 HydrophobicContact CH2-CG 4.24Å; W387-K422 HydrophobicContact CZ2-CD 4.02Å; W387-K422 HydrophobicContact CZ3-CB 4.07Å; W387-K422 HydrophobicContact CZ3-CD 3.92Å; W387-K422 HydrophobicContact CZ3-CG 3.75Å
423P82.8Confident67.7Low34 Ų3488.1 Ų88.122%0.22144%0.44CS..EExtended strand (participates in β ladder)trans-60.2143.1177.126.1-34.4000110.8F362 L364F362-P423 HydrophobicContact CD2-CG 3.84Å; F362-P423 HydrophobicContact CE2-CG 4.16Å; F362-P423 HydrophobicContact CG-CG 4.27Å; L364-P423 HydrophobicContact CD2-CB 4.49Å
424Y83.4Confident65.5Low21 Ų2185.3 Ų85.38%0.08244%0.435CS..  trans-103.3130.1168.7-177.3-103.2000108.6Q116 E369 L371 P390 R426Q116-Y424 HydrophobicContact CG-CE2 4.3Å; E369-Y424 HydrophobicContact CB-CD1 4.24Å; E369-Y424 PolarHBondContact O-N 2.98Å; E369-Y424 WeakPolarHBondContact OE2-CD1 3.42Å; L371-Y424 HydrophobicContact CD1-CD2 4.06Å; L371-Y424 HydrophobicContact CD2-CD2 3.78Å; L371-Y424 HydrophobicContact CD2-CE2 4.36Å; L371-Y424 HydrophobicContact CG-CD2 3.86Å; L371-Y424 HydrophobicContact CG-CG 4.5Å; P390-Y424 HydrophobicContact CB-CD1 3.67Å; P390-Y424 HydrophobicContact CB-CD2 4.27Å; P390-Y424 HydrophobicContact CB-CE1 3.85Å; P390-Y424 HydrophobicContact CB-CE2 4.42Å; P390-Y424 HydrophobicContact CB-CG 3.87Å; P390-Y424 HydrophobicContact CG-CD1 4.35Å; P390-Y424 HydrophobicContact CG-CE1 4.02Å; Y424-R426 HydrophobicContact CE1-CB 4.36Å; Y424-R426 HydrophobicContact CE1-CG 4.41Å
425I80.8Confident63Low34 Ų3488.1 Ų88.117%0.17445%0.447CS..  trans-105.1118.6178.5-59.5170.9000107.6A114 Q119 G449A114-I425 HydrophobicContact CB-CG2 4.4Å; Q119-I425 PolarHBondContact NE2-O 2.89Å; I425-G449 WeakPolarHBondContact CD1-O 3.34Å
426R79.1Confident60.5Low130 Ų13092.6 Ų92.649%0.49147%0.466SS..  trans-89.4146.8176.1-153.3168.4-170.5155-4.8110.3E369 Y424 S428 E430E369-R426 IonicContact OE1-CZ 2.73Å; E369-R426 IonicContact OE1-NH1 3.19Å; E369-R426 PolarHBondContact OE1-NH1 3.33Å; Y424-R426 HydrophobicContact CE1-CB 4.36Å; Y424-R426 HydrophobicContact CE1-CG 4.41Å; R426-S428 PolarHBondContact O-N 3.01Å; R426-E430 IonicContact CZ-OE2 3.85Å; R426-E430 IonicContact NE-OE2 2.67Å; R426-E430 PolarHBondContact NE-OE2 3.31Å; R426-E430 IonicContact NH2-OE2 3.43Å; R426-E430 PolarHBondContact NH2-OE2 3.14Å
427E66.9Low58Low74 Ų7499.1 Ų99.135%0.34650%0.5SS..  trans-64.9128.6171.3-166.8-176.416100108.7K71 W111 A114 S429K71-E427 VanDerWaalsContact CE-OE1 3.28Å; K71-E427 WeakPolarHBondContact CE-OE1 3.49Å; K71-E427 IonicContact NZ-OE1 3.34Å; K71-E427 PolarHBondContact NZ-OE1 3.31Å; W111-E427 WeakPolarHBondContact CZ3-OE1 3.27Å; A114-E427 HydrophobicContact CB-CB 4.3Å; E427-S429 PolarHBondContact O-N 3.44Å
428S56.5Low55.4Low108 Ų108102 Ų10276%0.75552%0.516SS*.THydrogen-bonded Turntrans-73.348.5-173.659.80000113.4R426R426-S428 PolarHBondContact O-N 3.01Å
429S46.1Very low52.9Low65 Ų65102.9 Ų102.946%0.45554%0.537SS..THydrogen-bonded Turntrans-125.75.8177.358.30000114.9K71 E427K71-S429 PolarHBondContact NZ-OG 2.97Å; E427-S429 PolarHBondContact O-N 3.44Å
430E42Very low50.8Low119 Ų119106.1 Ų106.156%0.55656%0.56SS**  trans-111.614.3179.2-68.1-170.2154.900114R426 E432R426-E430 IonicContact CZ-OE2 3.85Å; R426-E430 IonicContact NE-OE2 2.67Å; R426-E430 PolarHBondContact NE-OE2 3.31Å; R426-E430 IonicContact NH2-OE2 3.43Å; R426-E430 PolarHBondContact NH2-OE2 3.14Å; E430-E432 PolarHBondContact O-N 2.81Å
431Q36.4Very low48.2Very low165 Ų165108.8 Ų108.877%0.77158%0.581SS**THydrogen-bonded Turntrans-88.15.2-175.6-108.7146.3-18.100115.7
432E32.5Very low45.7Very low194 Ų194115.5 Ų115.591%0.90762%0.622SS**THydrogen-bonded Turntrans-117.96.7179.6-80.7-172.8160.900115.8E430E430-E432 PolarHBondContact O-N 2.81Å
433S28.2Very low43.2Very low101 Ų101118.6 Ų118.671%0.70665%0.648SS**SBendtrans-122.2-3.6-169.6-40.10000118.3
434L29.6Very low40.6Very low156 Ų156124.2 Ų124.282%0.81768%0.676SS**SBendtrans-144.534.8-170.5-92.6168.3000116.8
435Y29.5Very low38.1Very low228 Ų228131.6 Ų131.689%0.89471%0.712SS**  trans-127.348.1172.2-76.4-76.2000114.2
436L31.2Very low35.7Very low169 Ų169137.1 Ų137.189%0.88574%0.741SS**SBendtrans-124.477.2157.4-91165000108.8
437L27.8Very low33.6Very low164 Ų164135.7 Ų135.786%0.85974%0.737SS**SBendtrans174.7129.3137.4-93.8149.3000110.5
438Q24.7Very low32.1Very low192 Ų192138.4 Ų138.490%0.89775%0.752SS**SBendtrans80.997.1169-69.1173.8-24.100119.1
439G23Very low31.1Very low66 Ų66134 Ų13468%0.6872%0.723SS**  89.878122.900000117.7
440S27.7Very low30.6Very low122 Ų122133.6 Ų133.685%0.85372%0.716SS**  trans29.793.6142.655.60000118.1
441V24.3Very low30.1Very low134 Ų134130.7 Ų130.781%0.81271%0.708SS**  trans-134.6123144.4179.70000106.7A443V441-A443 PolarHBondContact O-N 3.27Å; V441-A443 VanDerWaalsContact O-N 3.16Å
442V26.6Very low29.7Very low143 Ų143131.6 Ų131.687%0.86771%0.712SS**  trans-64.3110.3175.6178.30000107.6
443A28.6Very low29.7Very low71 Ų71129.2 Ų129.259%0.58770%0.704SS**  trans-96.8112.917400000108.8V441V441-A443 PolarHBondContact O-N 3.27Å; V441-A443 VanDerWaalsContact O-N 3.16Å
444D27.8Very low29.6Very low152 Ų152130.3 Ų130.381%0.81371%0.709SS**  trans-62.7131.5163-99.2-29.7000109.4D446D444-D446 VanDerWaalsContact C-N 3.32Å; D444-D446 PolarHBondContact O-N 2.88Å
445H30.4Very low29.6Very low177 Ų177130 Ų13082%0.81971%0.713SS**SBendtrans-83.222-164.1-81.2-64.9000116.2Y447H445-Y447 PolarHBondContact O-N 2.75Å
446D30.5Very low29.5Very low149 Ų149122.7 Ų122.780%0.79771%0.707SS**  trans-9311.4-170.5-69.7-19.1000115.6D444 I448D444-D446 VanDerWaalsContact C-N 3.32Å; D444-D446 PolarHBondContact O-N 2.88Å; D446-I448 PolarHBondContact O-N 2.92Å; D446-I448 VanDerWaalsContact O-N 3.16Å
447Y35.5Very low29.4Very low100 Ų100118.3 Ų118.339%0.39270%0.695SS.*  trans-87.584.8178.2-163.8-100.9000112.3H368 H445H368-Y447 HydrophobicContact CB-CE2 4.3Å; H368-Y447 AromaticContact CD2-CD2 3.58Å; H368-Y447 AromaticContact CD2-CE2 3.6Å; H368-Y447 AromaticContact CE1-CD2 3.77Å; H368-Y447 AromaticContact CE1-CE2 3.66Å; H368-Y447 AromaticContact CG-CE2 3.61Å; H368-Y447 AromaticContact ND1-CE2 3.64Å; H368-Y447 AromaticContact NE2-CD2 3.38Å; H368-Y447 WeakPolarHBondContact NE2-CD2 3.18Å; H368-Y447 AromaticContact NE2-CE2 3.66Å; H445-Y447 PolarHBondContact O-N 2.75Å
448I35.8Very low29.3Very low131 Ų131122.2 Ų122.267%0.67270%0.7SS**  trans-109.5110.8158.3-57.8-179.8000106.3D446 L450D446-I448 PolarHBondContact O-N 2.92Å; D446-I448 VanDerWaalsContact O-N 3.16Å; I448-L450 HydrophobicContact CG2-CB 4.29Å; I448-L450 HydrophobicContact CG2-CD1 3.84Å; I448-L450 HydrophobicContact CG2-CG 4.11Å; I448-L450 PolarHBondContact O-N 2.85Å
449G35.6Very low29.4Very low15 Ų15121.6 Ų121.616%0.15570%0.697CS.*  trans-66.540.3-17700000115.4I425I425-G449 WeakPolarHBondContact CD1-O 3.34Å
450L34.8Very low29.5Very low57 Ų57123.1 Ų123.130%0.29870%0.704SS.*SBendtrans-114.2142.5175-67.3167.3000109.7I448 E452I448-L450 HydrophobicContact CG2-CB 4.29Å; I448-L450 HydrophobicContact CG2-CD1 3.84Å; I448-L450 HydrophobicContact CG2-CG 4.11Å; I448-L450 PolarHBondContact O-N 2.85Å; L450-E452 PolarHBondContact O-N 3.19Å; L450-E452 VanDerWaalsContact O-N 3.13Å
451P30.8Very low29.4Very low59 Ų59124.2 Ų124.238%0.38370%0.7SS.*PPolyproline II helixtrans-62.5119173.725.4-31.1000108.9I453P451-I453 PolarHBondContact O-N 2.92Å
452E29.1Very low29.5Very low184 Ų184125.1 Ų125.186%0.8670%0.699SS**PPolyproline II helixtrans-58.2128.8171.8-68.3-17616400109.6L450L450-E452 PolarHBondContact O-N 3.19Å; L450-E452 VanDerWaalsContact O-N 3.13Å
453I31.2Very low29.4Very low144 Ų144126.2 Ų126.274%0.73870%0.699SS**PPolyproline II helixtrans-86.3127.8171.8-61.4170.9000106.5P451 V455P451-I453 PolarHBondContact O-N 2.92Å; I453-V455 PolarHBondContact O-N 2.92Å; I453-V455 VanDerWaalsContact O-N 3.11Å
454P27.9Very low29.2Very low124 Ų124128.2 Ų128.281%0.80570%0.703SS**PPolyproline II helixtrans-64116.1173-14.427.5000109.5
455V27.8Very low29.1Very low148 Ų148130.3 Ų130.390%0.89771%0.708SS**PPolyproline II helixtrans-91.9121.8170.4176.50000107.8I453I453-V455 PolarHBondContact O-N 2.92Å; I453-V455 VanDerWaalsContact O-N 3.11Å
456G28.4Very low28.8Very low76 Ų76129.1 Ų129.178%0.78471%0.708SS**  trans137.890.7164.400000114.6
457A28.6Very low28.6Very low77 Ų77126.8 Ų126.864%0.63671%0.71SS**  trans-89.2153.1174.600000111.7
458Y25.7Very low28Very low245 Ų245128 Ų12896%0.96173%0.728SS**  trans-136.9108.7140-80.1-76.2000109.6
459Q27.5Very low27.5Very low179 Ų179130.1 Ų130.184%0.83674%0.738SS**  trans-77.9125.5161.1-79.4169.2-59.200107.9
460A25Very low26.9Very low98 Ų98132.1 Ų132.181%0.8176%0.759SS**  trans-106.2120.2157.100000107.7
461N25.9Very low26.3Very low145 Ų145137.3 Ų137.378%0.77579%0.785SS**  trans-65.7131.6176.9-70.9-41.7000110.1
462I25.2Very low26.1Very low154 Ų154140.3 Ų140.379%0.7980%0.802SS**  trans-77.2118.6161.6-65.6169.5000106.5V464I462-V464 HydrophobicContact CG2-CG2 4.14Å
463L24.5Very low25.8Very low166 Ų166138.1 Ų138.187%0.86980%0.797SS**  trans-110119.8158.1-83.6167.6000107.1
464V25.8Very low25.6Very low112 Ų112137.5 Ų137.568%0.67980%0.795SS**  trans-81.6132.8169.1172.60000107.3I462I462-V464 HydrophobicContact CG2-CG2 4.14Å
465E25.7Very low25.5Very low196 Ų196139 Ų13992%0.91679%0.791SS**  trans-148.9120.4150.1-113.8171.9-161.800109.4
466D24.3Very low25.4Very low153 Ų153139 Ų13982%0.81879%0.786SS**  trans-66.7142.8171.3-70.4-49.9000111.2
467A25Very low25.3Very low100 Ų100142.5 Ų142.583%0.82679%0.785SS**  trans-174.4137.9131.100000112.4
468T22.8Very low25.1Very low126 Ų126144.6 Ų144.677%0.77379%0.79SS**  trans-72.1173.3-178.141.70000116.5
469I26Very low25Very low174 Ų174137.9 Ų137.989%0.89278%0.779SS**  trans96.5129.3162.5-49.6157000112.5
470G22.9Very low24.9Very low58 Ų58134.1 Ų134.160%0.59877%0.773SS**  cis161.3138.7400000108.9
471I23.1Very low25Very low165 Ų165138.2 Ų138.285%0.84677%0.772SS**  trans43.6130.8148.4-30-178.6000121.2
472V24.9Very low24.9Very low122 Ų122137.4 Ų137.474%0.73977%0.768SS**  133.9132.7128.5-175.40000113.9
473D24.7Very low24.9Very low138 Ų138139.9 Ų139.974%0.73877%0.767SS**  trans-41.5153.3172.6-49.7-67000117
474N26Very low25.1Very low132 Ų132138.6 Ų138.671%0.70676%0.757SS**  165.314099.2-12611.9000113.9
475E25.6Very low25.2Very low154 Ų154140.6 Ų140.672%0.7276%0.763SS**  trans50.6117.5137.7-71.3175.5161.800124.2
476L26.3Very low25.1Very low150 Ų150138 Ų13879%0.78575%0.754SS**  34.8115111.2-99.7140.5000119.5
477L25.3Very low25.3Very low148 Ų148138.3 Ų138.378%0.77575%0.751SS**  161.1133.7112.3-88.1155.7000114.8
478T24.5Very low25.4Very low121 Ų121142.8 Ų142.874%0.74275%0.748SS**  trans-14.1149.9154.756.60000122.3
479S24.1Very low25.5Very low104 Ų104146.9 Ų146.973%0.72775%0.749SS**  trans145.7102.1130-177.90000111.5
480S25.6Very low25.5Very low101 Ų101144.9 Ų144.971%0.70674%0.741SS**  45.1113.5100.884.90000117.7
481K26.5Very low25.8Very low184 Ų184146.8 Ų146.880%0.874%0.741SS**  177.5146.5117.9-107.6-176.1173.9-178.10115.3
482D24.8Very low26.1Very low127 Ų127147.2 Ų147.268%0.67974%0.736SS**  trans74.6113.9152.4-55.2-22.3000118
483R24.8Very low26.2Very low206 Ų206148 Ų14878%0.77774%0.735SS**  58.2120.550.1-155.2-179.8172.2-178.3-5.3109.3
484E28.7Very low26.2Very low140 Ų140146.3 Ų146.365%0.65473%0.734SS**  cis-170.1168.224-126.2162.3-15900105.1
485L27.4Very low27.4Very low154 Ų154145.2 Ų145.281%0.80673%0.734SS**  trans178.5111.1131.1-90.5170.6000111.6
486L24.6Very low27.3Very low140 Ų140144.8 Ų144.873%0.73374%0.736SS**  trans73.9102.9137.5-75159.7000122.4
487E28.5Very low27.4Very low161 Ų161143.9 Ų143.975%0.75273%0.73SS**  trans-32.3156.7141.1-56.7174.2146.800116.5
488Y25.9Very low27.4Very low194 Ų194143.7 Ų143.776%0.76173%0.73SS**  -160.4133.4119.7-126-97.2000112.9
489R25.3Very low27.5Very low212 Ų212144.1 Ų144.180%0.873%0.728SS**  trans74.291.8163.7-81.4165.8-175.6173.41.1116.6
490N26.8Very low27.7Very low132 Ų132147 Ų14771%0.70673%0.729SS**  51.9125.953.4-95.5-3.3000109.6
491T29.4Very low27.7Very low98 Ų98147 Ų14760%0.60173%0.729SS**  cis170.6156.527.80.70000107.6
492K29.1Very low27.7Very low173 Ų173144.1 Ų144.175%0.75273%0.728SS**  132.9146.597.8-103.6168.2176.5-168.60106.4
493I26.1Very low27.9Very low140 Ų140145.5 Ų145.572%0.71873%0.734SS**  cis-163.5154.72.6-124.8160.5000107.8
494S24.4Very low28Very low101 Ų101144.9 Ų144.971%0.70674%0.74SS**  trans-79.6-140.3176.9-46.60000113
495P51.3Low28Very low110 Ų110147 Ų14771%0.71475%0.747SS**  -127.4-169.5-77.331.8-11.6000112.3
496L24.8Very low28.1Very low144 Ų144148.1 Ų148.175%0.75475%0.748SS**  trans152.5115.6139.6-79.8159.8000110.2
497I27.6Very low28.2Very low131 Ų131147.8 Ų147.867%0.67275%0.752SS**  81.9126.690.2-68.9-174.3000114.8
498D26.4Very low28.1Very low144 Ų144149.6 Ų149.677%0.7776%0.758SS**  trans55.2152.1163.3-58.5-19000118.3
499D26.6Very low28.1Very low130 Ų130145.3 Ų145.370%0.69576%0.756SS**  cis-166.6165.829.9-143.3-6.8000112.2
500H27.1Very low28.2Very low164 Ų164143.6 Ų143.676%0.75976%0.762SS**  trans20.3136.4157.2-74.2-64.5000126.1
501S26.3Very low28.3Very low101 Ų101145.4 Ų145.471%0.70677%0.771SS**  102126128.473.70000123.3
502T26.8Very low28.4Very low124 Ų124147.9 Ų147.976%0.76178%0.78SS**  trans66.1120.1139.343.10000123.5
503L28.1Very low28.6Very low157 Ų157144.8 Ų144.882%0.82278%0.781SS**  56.6114.2127.8-12785.1000118.8
504E27.1Very low29.1Very low193 Ų193143.5 Ų143.590%0.90278%0.784SS**  -165.8141.9119.1-110.1175.4-173.200113.7
505K29.6Very low29.5Very low184 Ų184146.7 Ų146.780%0.879%0.793SS**  trans-73.8140178.5-65164.5173.8174.30110
506Q27.6Very low28.9Very low178 Ų178150.7 Ų150.783%0.83280%0.802SS**  trans-13899.5146.8-74.9-165.8-15.300111.3
507T26.6Very low29.2Very low132 Ų132149.9 Ų149.981%0.8180%0.803SS**  trans-60.9136.3156.910.10000110.5
508F26.9Very low29.3Very low200 Ų200152.1 Ų152.188%0.87782%0.816SS**  trans-118.7115.3154.7-97.1-85.3000109.1
509S26.5Very low29.8Very low103 Ų103152.2 Ų152.272%0.7281%0.811SS**  trans-87.1134177.148.20000111.1
510L27.4Very low30Very low176 Ų176154.6 Ų154.692%0.92181%0.812SS**  trans-72.8140.4161.6-72.3159.4000109.7
511L29.2Very low30.3Very low170 Ų170153.8 Ų153.889%0.8981%0.812SS**  trans-119.1111.8163.2-82.2164.5000107.8
512D31.5Very low31Very low150 Ų150158.1 Ų158.180%0.80284%0.843SS**  trans-102.8133.5158.4-166.51.3000107.2
513S32.3Very low31.2Very low109 Ų109159.9 Ų159.976%0.76285%0.847SS**  trans-95.296.3-173.6470000109.4
514S36.4Very low31.4Very low112 Ų112160 Ų16078%0.78385%0.848SS**  trans-155.488.4160-75.80000108.8Q516S514-Q516 PolarHBondContact O-N 3.12Å; S514-Q516 VanDerWaalsContact O-N 3.12Å
515N34.1Very low31.6Very low168 Ų168158.2 Ų158.290%0.89885%0.845SS**  trans-52.8109.7169-83.9-31.4000110.5
516Q37.9Very low31.7Very low194 Ų194156.6 Ų156.691%0.90785%0.848SS**  trans-152.6115.3146.5-112.3165.330.100110.7S514S514-Q516 PolarHBondContact O-N 3.12Å; S514-Q516 VanDerWaalsContact O-N 3.12Å
517V30.4Very low32Very low128 Ų128155.3 Ų155.378%0.77685%0.849SS**  trans-74.1125.9171.41710000108.3
518L31.2Very low32.3Very low178 Ų178156.9 Ų156.993%0.93285%0.851SS**  trans-143.5112.2146.3-90.6176.1000108.8
519E36.3Very low32.7Very low146 Ų146153.8 Ų153.868%0.68285%0.85SS**  trans-78151.5172.1-83.4-178.1148.500112.3
520Y31.7Very low33.2Very low180 Ų180157.7 Ų157.771%0.70686%0.86SS**  trans100.9116.3136.9-84.4-50000122.8
521L33.5Very low33.7Very low146 Ų146156.2 Ų156.276%0.76485%0.854SS**  trans66.5127.2139.2-48.8170.8000117.2
522S40Very low34.1Very low193 Ų193154.9 Ų154.9100%1.3585%0.851SS**  cis-148.7032.5-33.90000110.8

Retrieved 522 of 522 residues in 1015.7 ms (Link to these results)

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