G4VS25_SCHMA Loading...

Transcription initiation factor TFIID subunit 8

AlphaFold DB , UniProt , Accession G4VS25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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
1M47.7Very low57.5Low201 Ų20191.6 Ų91.699%0.9955%0.551SS**  063.50-56.6-145.1171.700111.5S3 D53M1-S3 PolarHBondContact O-N 2.95Å; M1-D53 VanDerWaalsContact CA-OD2 3.26Å; M1-D53 WeakPolarHBondContact CA-OD2 3.37Å; M1-D53 PolarHBondContact N-OD2 3.39Å
2S47.6Very low58.3Low94 Ų9490.8 Ų90.866%0.65755%0.55SS*.  trans-72.1108.1158.8-171.70000106.1R4S2-R4 PolarHBondContact O-N 3.44Å
3S52.8Low58.6Low113 Ų11395.5 Ų95.579%0.7956%0.562SS**  trans-78.360.9-176.260.30000111.1M1 L5M1-S3 PolarHBondContact O-N 2.95Å; S3-L5 PolarHBondContact O-N 2.87Å
4R60.6Low59.7Low122 Ų12290.6 Ų90.646%0.4654%0.541SS..  trans-75.7106.3174.2-170.5-177.9-177.8-157.98.1108.2S2 L6 E10S2-R4 PolarHBondContact O-N 3.44Å; R4-L6 PolarHBondContact O-N 2.69Å; R4-E10 VanDerWaalsContact CZ-CD 3.48Å; R4-E10 IonicContact CZ-OE1 3.42Å; R4-E10 IonicContact CZ-OE2 3.01Å; R4-E10 IonicContact NE-OE1 3.59Å; R4-E10 IonicContact NE-OE2 3.11Å; R4-E10 PolarHBondContact NE-OE2 3.32Å; R4-E10 VanDerWaalsContact NE-OE2 3.11Å; R4-E10 IonicContact NH1-OE2 3.7Å; R4-E10 IonicContact NH2-OE1 2.67Å; R4-E10 PolarHBondContact NH2-OE1 3.44Å; R4-E10 IonicContact NH2-OE2 3.01Å; R4-E10 PolarHBondContact NH2-OE2 3.02Å
5L60.4Low61.1Low130 Ų13088.4 Ų88.468%0.68153%0.528SS*.  trans-68115.7167.6-68.7173.1000107.8S3 T7S3-L5 PolarHBondContact O-N 2.87Å; L5-T7 PolarHBondContact O-N 2.9Å
6L60Low62.4Low29 Ų2986.3 Ų86.315%0.15251%0.513CS..  trans-66.3106.7171.7-68.7163.6000107.5R4 E10 N45 F48R4-L6 PolarHBondContact O-N 2.69Å; L6-E10 HydrophobicContact CD2-CB 4.22Å; L6-N45 WeakPolarHBondContact CB-OD1 3.32Å; L6-F48 HydrophobicContact CD1-CB 3.28Å; L6-F48 HydrophobicContact CD1-CD1 4.31Å; L6-F48 HydrophobicContact CD1-CD2 3.33Å; L6-F48 HydrophobicContact CD1-CE2 4.21Å; L6-F48 HydrophobicContact CD1-CG 3.4Å
7T59Low63.6Low93 Ų9387.6 Ų87.657%0.57152%0.517SS*.  trans-79.5141.6169.348.60000107.6L5 G9 E10L5-T7 PolarHBondContact O-N 2.9Å; T7-G9 PolarHBondContact O-N 2.94Å; T7-E10 PolarHBondContact O-N 3.07Å
8G57.1Low64.9Low77 Ų7785.6 Ų85.679%0.79451%0.506SS*.THydrogen-bonded Turntrans-57.90.8-165.800000117.6
9G61Low66.1Low39 Ų3982.1 Ų82.140%0.40249%0.485SS..THydrogen-bonded Turntrans-86.9-18.2169.600000114.8T7 P123T7-G9 PolarHBondContact O-N 2.94Å; G9-P123 WeakPolarHBondContact O-CB 3.29Å; G9-P123 VanDerWaalsContact O-CG 3.22Å; G9-P123 WeakPolarHBondContact O-CG 3.3Å
10E62.4Low67.2Low84 Ų8479.4 Ų79.439%0.39347%0.467SS..SBendtrans-87.6-20.7-170.8-60.1-174.1155.500113.6R4 L6 T7R4-E10 VanDerWaalsContact CZ-CD 3.48Å; R4-E10 IonicContact CZ-OE1 3.42Å; R4-E10 IonicContact CZ-OE2 3.01Å; R4-E10 IonicContact NE-OE1 3.59Å; R4-E10 IonicContact NE-OE2 3.11Å; R4-E10 PolarHBondContact NE-OE2 3.32Å; R4-E10 VanDerWaalsContact NE-OE2 3.11Å; R4-E10 IonicContact NH1-OE2 3.7Å; R4-E10 IonicContact NH2-OE1 2.67Å; R4-E10 PolarHBondContact NH2-OE1 3.44Å; R4-E10 IonicContact NH2-OE2 3.01Å; R4-E10 PolarHBondContact NH2-OE2 3.02Å; L6-E10 HydrophobicContact CD2-CB 4.22Å; T7-E10 PolarHBondContact O-N 3.07Å
11C64.1Low68.2Low26 Ų2676.8 Ų76.818%0.17646%0.457CS..SBendtrans-96.1130.7178.6-64.70000110.7Q13C11-Q13 PolarHBondContact O-N 3.26Å
12P67.2Low70.1Confident82 Ų8269.3 Ų69.353%0.53243%0.428SS..PPolyproline II helixtrans-58139.4172.822.1-30.1000110.7G14 V15P12-G14 PolarHBondContact O-N 3.08Å; P12-V15 HydrophobicContact CG-CB 4.38Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 PolarHBondContact O-N 3.24Å; P12-V15 VanDerWaalsContact O-N 3.16Å
13Q61.9Low72.2Confident152 Ų15265.4 Ų65.471%0.7140%0.399SS*.THydrogen-bonded Turntrans-52.5127.2-178.1-76.4156.5-18.200110.7C11C11-Q13 PolarHBondContact O-N 3.26Å
14G73.2Confident74Confident26 Ų2661 Ų6127%0.26837%0.371SS..THydrogen-bonded Turntrans98.1-2418000000115.6P12 D17 V18P12-G14 PolarHBondContact O-N 3.08Å; G14-D17 PolarHBondContact O-N 3.11Å; G14-V18 WeakPolarHBondContact O-CG2 3.27Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.1Å
15V80.7Confident75.2Confident58 Ų5858.3 Ų58.335%0.35236%0.362SS..Hα-helixtrans-67.7-41177.2174.40000111P12 D17 V18 V19 F48P12-V15 HydrophobicContact CG-CB 4.38Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 PolarHBondContact O-N 3.24Å; P12-V15 VanDerWaalsContact O-N 3.16Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.44Å; V15-V18 PolarHBondContact O-N 2.88Å; V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.64Å; V15-F48 HydrophobicContact CG1-CE1 4.24Å; V15-F48 HydrophobicContact CG1-CZ 4.21Å
16L82.8Confident76.6Confident55 Ų5556.8 Ų56.829%0.28835%0.354SS..Hα-helixtrans-60.6-44.3175.6-175.3138.2000111.1V18 V19 E20L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.36Å; L16-E20 VanDerWaalsContact CD2-CD 3.43Å; L16-E20 HydrophobicContact CD2-CG 4.13Å; L16-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L16-E20 HydrophobicContact CG-CG 4.35Å; L16-E20 WeakPolarHBondContact O-CB 3.35Å; L16-E20 WeakPolarHBondContact O-CG 3.04Å; L16-E20 PolarHBondContact O-N 3.34Å
17D83.1Confident78.1Confident108 Ų10856.2 Ų56.258%0.57835%0.353SS*.Hα-helixtrans-61.5-39.3178-58.2-14000112.4G14 V15 G21G14-D17 PolarHBondContact O-N 3.11Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.44Å; D17-G21 PolarHBondContact O-N 2.93Å
18V85.8Confident79.5Confident52 Ų5257.1 Ų57.132%0.31535%0.354SS..Hα-helixtrans-67.4-44177.3172.60000111G14 V15 L16 G21 A22 P104G14-V18 WeakPolarHBondContact O-CG2 3.27Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.1Å; V15-V18 PolarHBondContact O-N 2.88Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.13Å; V18-G21 PolarHBondContact O-N 2.79Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.08Å; V18-P104 HydrophobicContact CG2-CB 4.02Å; V18-P104 HydrophobicContact CG2-CG 4.31Å
19V88.3Confident80.9Confident18 Ų1855.6 Ų55.611%0.10933%0.331CS..Hα-helixtrans-67.3-44.7178.8171.10000110.9V15 L16 G21 A22 I23 F47 F48V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.64Å; L16-V19 PolarHBondContact O-N 3.36Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.46Å; V19-A22 PolarHBondContact O-N 3.46Å; V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 HydrophobicContact CG1-CG1 4.45Å; V19-I23 WeakPolarHBondContact O-CB 3.5Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.05Å; V19-I23 PolarHBondContact O-N 2.99Å; V19-F47 HydrophobicContact CG1-CD1 3.61Å; V19-F47 HydrophobicContact CG1-CE1 4.08Å; V19-F47 HydrophobicContact CG1-CG 4.35Å; V19-F47 HydrophobicContact CG2-CD1 4.42Å; V19-F47 HydrophobicContact CG2-CE1 4.15Å; V19-F48 HydrophobicContact CB-CE2 4.45Å; V19-F48 HydrophobicContact CB-CZ 3.98Å; V19-F48 HydrophobicContact CG1-CE2 4.19Å; V19-F48 HydrophobicContact CG1-CZ 4.07Å; V19-F48 HydrophobicContact CG2-CE1 3.95Å; V19-F48 HydrophobicContact CG2-CZ 3.65Å
20E88.3Confident82.3Confident28 Ų2858.5 Ų58.513%0.13134%0.341CS..Hα-helixtrans-60.9-40.7174.5-74.1-171.4168.300111.6L16 I23 G24 L40L16-E20 VanDerWaalsContact CD2-CD 3.43Å; L16-E20 HydrophobicContact CD2-CG 4.13Å; L16-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L16-E20 HydrophobicContact CG-CG 4.35Å; L16-E20 WeakPolarHBondContact O-CB 3.35Å; L16-E20 WeakPolarHBondContact O-CG 3.04Å; L16-E20 PolarHBondContact O-N 3.34Å; E20-I23 PolarHBondContact O-N 3.14Å; E20-G24 PolarHBondContact O-N 3.05Å; E20-L40 HydrophobicContact CB-CD1 4.27Å; E20-L40 HydrophobicContact CB-CD2 4.17Å; E20-L40 HydrophobicContact CB-CG 4.32Å; E20-L40 HydrophobicContact CG-CD1 4.36Å; E20-L40 HydrophobicContact CG-CD2 4.21Å; E20-L40 HydrophobicContact CG-CG 4.05Å
21G87.4Confident83.6Confident25 Ų2557.5 Ų57.526%0.25835%0.353SS..Hα-helixtrans-62.4-40.8173.300000113.4D17 V18 V19 G24 Y25D17-G21 PolarHBondContact O-N 2.93Å; V18-G21 PolarHBondContact O-N 2.79Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.46Å; G21-G24 PolarHBondContact O-N 2.71Å; G21-Y25 PolarHBondContact O-N 2.82Å
22A89Confident85Confident44 Ų4463.3 Ų63.336%0.36437%0.372SS..Hα-helixtrans-66.7-41.6176.100000112.1V18 V19 Y25 L26V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.08Å; V19-A22 PolarHBondContact O-N 3.46Å; A22-Y25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.29Å
23I91.5Very high86.3Confident12 Ų1265.9 Ų65.96%0.06239%0.386CS..Hα-helixtrans-62.4-44.9174.8-70.8166.3000110.5V19 E20 Y25 L26 A27 L40 L43 S44V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 HydrophobicContact CG1-CG1 4.45Å; V19-I23 WeakPolarHBondContact O-CB 3.5Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.05Å; V19-I23 PolarHBondContact O-N 2.99Å; E20-I23 PolarHBondContact O-N 3.14Å; I23-Y25 VanDerWaalsContact C-N 3.32Å; I23-Y25 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 2.99Å; I23-A27 PolarHBondContact O-N 3.49Å; I23-L40 HydrophobicContact CB-CD1 4.16Å; I23-L40 HydrophobicContact CG2-CD1 3.73Å; I23-L43 HydrophobicContact CD1-CG 4.25Å; I23-L43 HydrophobicContact CG1-CG 4.49Å; I23-L43 HydrophobicContact CG2-CB 4.36Å; I23-L43 HydrophobicContact CG2-CD2 3.35Å; I23-L43 HydrophobicContact CG2-CG 3.86Å; I23-S44 VanDerWaalsContact CD1-CA 3.5Å
24G89.6Confident87.7Confident20 Ų2063 Ų6321%0.20638%0.383CS..Hα-helixtrans-58.3-42.9174.700000112.5E20 G21 A27 L28E20-G24 PolarHBondContact O-N 3.05Å; G21-G24 PolarHBondContact O-N 2.71Å; G24-A27 PolarHBondContact O-N 3.08Å; G24-L28 WeakPolarHBondContact O-CG 3.46Å; G24-L28 PolarHBondContact O-N 3.41Å
25Y86.7Confident88.6Confident66 Ų6665.1 Ų65.126%0.25939%0.388SS..Hα-helixtrans-64.8-41.2175.4-179.6-112.1000113.1G21 A22 I23 L28 S29 R96 Y98G21-Y25 PolarHBondContact O-N 2.82Å; A22-Y25 PolarHBondContact O-N 2.84Å; I23-Y25 VanDerWaalsContact C-N 3.32Å; I23-Y25 PolarHBondContact O-N 3.48Å; Y25-L28 PolarHBondContact O-N 3.05Å; Y25-S29 PolarHBondContact O-N 2.92Å; Y25-R96 PolarHBondContact OH-O 3.41Å; Y25-Y98 AromaticContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CG 4.19Å; Y25-Y98 AromaticContact CD2-CD2 3.14Å; Y25-Y98 HydrophobicContact CD2-CD2 3.14Å; Y25-Y98 AromaticContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CE2 3.47Å; Y25-Y98 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CG 4.22Å; Y25-Y98 HydrophobicContact CE1-CD2 4.3Å; Y25-Y98 AromaticContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CE2 4.28Å; Y25-Y98 AromaticContact CG-CD2 3.24Å; Y25-Y98 HydrophobicContact CG-CD2 3.24Å; Y25-Y98 AromaticContact CG-CE2 3.69Å; Y25-Y98 HydrophobicContact CG-CE2 3.69Å; Y25-Y98 AromaticContact CG-CG 3.95Å; Y25-Y98 HydrophobicContact CG-CG 3.95Å
26L89.2Confident89.2Confident99 Ų9969.3 Ų69.352%0.51840%0.403SS..Hα-helixtrans-61.9-44.1176.9-77.5168.8000111.2A22 I23 L28 S29 V30A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.29Å; I23-L26 PolarHBondContact O-N 2.99Å; L26-L28 PolarHBondContact O-N 2.76Å; L26-S29 WeakPolarHBondContact O-CA 3.26Å; L26-S29 WeakPolarHBondContact O-CB 3.2Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.84Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.18Å; L26-V30 VanDerWaalsContact O-N 3.08Å
27A90.8Very high89.5Confident16 Ų1672.9 Ų72.913%0.13241%0.414CS..Hα-helixtrans-62.2-42.9176.600000112.4I23 G24 S29 V30 G31 Y32 I35I23-A27 PolarHBondContact O-N 3.49Å; G24-A27 PolarHBondContact O-N 3.08Å; A27-S29 VanDerWaalsContact C-N 3.26Å; A27-S29 PolarHBondContact O-N 2.81Å; A27-V30 PolarHBondContact O-N 3.1Å; A27-V30 VanDerWaalsContact O-N 3.13Å; A27-G31 PolarHBondContact O-N 3.38Å; A27-G31 VanDerWaalsContact O-N 3.14Å; A27-Y32 HydrophobicContact CB-CD2 4.27Å; A27-Y32 PolarHBondContact O-N 3.39Å; A27-I35 HydrophobicContact CB-CD1 3.23Å; A27-I35 HydrophobicContact CB-CG1 3.86Å
28L89.5Confident89.9Confident113 Ų11370.5 Ų70.559%0.59241%0.409SS*.Hα-helixtrans-58.3-39.4171.7-75.1167.2000111.6G24 Y25 L26 V30 G31 Y32G24-L28 WeakPolarHBondContact O-CG 3.46Å; G24-L28 PolarHBondContact O-N 3.41Å; Y25-L28 PolarHBondContact O-N 3.05Å; L26-L28 PolarHBondContact O-N 2.76Å; L28-V30 VanDerWaalsContact C-N 3.26Å; L28-V30 PolarHBondContact O-N 3.44Å; L28-G31 PolarHBondContact O-N 2.84Å; L28-Y32 WeakPolarHBondContact CD2-O 3.38Å
29S86.7Confident90.1Very high44 Ų4470.4 Ų70.431%0.30841%0.414SS..Hα-helixtrans-69.8-21.1178.886.50000114.2Y25 L26 A27 K95Y25-S29 PolarHBondContact O-N 2.92Å; L26-S29 WeakPolarHBondContact O-CA 3.26Å; L26-S29 WeakPolarHBondContact O-CB 3.2Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.84Å; A27-S29 VanDerWaalsContact C-N 3.26Å; A27-S29 PolarHBondContact O-N 2.81Å; S29-K95 PolarHBondContact OG-NZ 3Å
30V89.3Confident90.2Very high101 Ų10170.9 Ų70.961%0.61242%0.415SS*.Hα-helixtrans-87.5-19.2175.2175.70000111L26 A27 L28 Y32L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.18Å; L26-V30 VanDerWaalsContact O-N 3.08Å; A27-V30 PolarHBondContact O-N 3.1Å; A27-V30 VanDerWaalsContact O-N 3.13Å; L28-V30 VanDerWaalsContact C-N 3.26Å; L28-V30 PolarHBondContact O-N 3.44Å; V30-Y32 HydrophobicContact CB-CD2 4.1Å; V30-Y32 HydrophobicContact CB-CE2 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.05Å; V30-Y32 HydrophobicContact CG1-CE2 3.68Å
31G90.9Very high90.2Very high62 Ų6275.9 Ų75.964%0.63943%0.433SS*.THydrogen-bonded Turntrans113.88177.100000114.8A27 L28A27-G31 PolarHBondContact O-N 3.38Å; A27-G31 VanDerWaalsContact O-N 3.14Å; L28-G31 PolarHBondContact O-N 2.84Å
32Y93.2Very high90.4Very high149 Ų14978.7 Ų78.758%0.58445%0.445SS*.  trans-75.4134.2174.1-66.8-83.3000110.7A27 L28 V30A27-Y32 HydrophobicContact CB-CD2 4.27Å; A27-Y32 PolarHBondContact O-N 3.39Å; L28-Y32 WeakPolarHBondContact CD2-O 3.38Å; V30-Y32 HydrophobicContact CB-CD2 4.1Å; V30-Y32 HydrophobicContact CB-CE2 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.05Å; V30-Y32 HydrophobicContact CG1-CE2 3.68Å
33T93.6Very high90.5Very high135 Ų13580.7 Ų80.783%0.82845%0.449SS*.SBendtrans-88.8-25.6176.8540000113
34S91.7Very high90.5Very high93 Ų9380.2 Ų80.265%0.6545%0.447SS*.  trans-149.3154.2-178.758.10000110.8
35I91.6Very high90.4Very high69 Ų6980.7 Ų80.735%0.35445%0.445SS..  trans-129.9133.8175.4-61.7169.8000107.5A27 A39 L40A27-I35 HydrophobicContact CB-CD1 3.23Å; A27-I35 HydrophobicContact CB-CG1 3.86Å; I35-A39 HydrophobicContact CG2-CB 4.39Å; I35-L40 HydrophobicContact CG2-CB 4.12Å
36E93.9Very high90.7Very high147 Ų14782 Ų8269%0.68746%0.456SS*.  trans-68.6138.2173.2-170.1-178.5174.200111A38 A39 L40E36-A38 HydrophobicContact CG-CB 4.44Å; E36-A38 PolarHBondContact O-N 3Å; E36-A39 HydrophobicContact CB-CB 4.38Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 3.23Å; E36-L40 PolarHBondContact O-N 3.43Å
37Y89.8Confident90.8Very high130 Ų13081.8 Ų81.851%0.5145%0.45SS..Hα-helixtrans-58.9-35.1-176.9-172.9-108.2000113.4L40 R41Y37-L40 PolarHBondContact O-N 2.99Å; Y37-R41 HydrophobicContact CE1-CG 4.49Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-R41 VanDerWaalsContact OH-CZ 3.28Å; Y37-R41 PolarHBondContact OH-NE 3.02Å; Y37-R41 VanDerWaalsContact OH-NE 3.15Å; Y37-R41 PolarHBondContact OH-NH2 3.07Å
38A90.3Very high90.7Very high58 Ų5882.4 Ų82.448%0.47945%0.45SS..Hα-helixtrans-63-44.5175.200000111.7E36 R41 V42E36-A38 HydrophobicContact CG-CB 4.44Å; E36-A38 PolarHBondContact O-N 3Å; A38-R41 PolarHBondContact O-N 3.45Å; A38-V42 WeakPolarHBondContact O-CG2 3.23Å; A38-V42 PolarHBondContact O-N 3.33Å
39A91.6Very high90.7Very high49 Ų4978.4 Ų78.441%0.40543%0.432SS..Hα-helixtrans-65.6-39.1178.100000112.2I35 E36 R41 V42 L43I35-A39 HydrophobicContact CG2-CB 4.39Å; E36-A39 HydrophobicContact CB-CB 4.38Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 3.23Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.47Å; A39-V42 PolarHBondContact O-N 3.01Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 PolarHBondContact O-N 3.01Å
40L90.4Very high91Very high28 Ų2879.5 Ų79.515%0.14743%0.431CS..Hα-helixtrans-57.7-45.1177.4-176.964.5000111.9E20 I23 I35 E36 Y37 L43 S44E20-L40 HydrophobicContact CB-CD1 4.27Å; E20-L40 HydrophobicContact CB-CD2 4.17Å; E20-L40 HydrophobicContact CB-CG 4.32Å; E20-L40 HydrophobicContact CG-CD1 4.36Å; E20-L40 HydrophobicContact CG-CD2 4.21Å; E20-L40 HydrophobicContact CG-CG 4.05Å; I23-L40 HydrophobicContact CB-CD1 4.16Å; I23-L40 HydrophobicContact CG2-CD1 3.73Å; I35-L40 HydrophobicContact CG2-CB 4.12Å; E36-L40 PolarHBondContact O-N 3.43Å; Y37-L40 PolarHBondContact O-N 2.99Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-S44 PolarHBondContact O-N 3.47Å; L40-S44 PolarHBondContact O-OG 3.29Å
41R86.9Confident91.1Very high133 Ų13377.7 Ų77.750%0.50242%0.42SS..Hα-helixtrans-67-36.9177-78.1-165179.7159.9-1.9113.7Y37 A38 A39 S44 N45Y37-R41 HydrophobicContact CE1-CG 4.49Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-R41 VanDerWaalsContact OH-CZ 3.28Å; Y37-R41 PolarHBondContact OH-NE 3.02Å; Y37-R41 VanDerWaalsContact OH-NE 3.15Å; Y37-R41 PolarHBondContact OH-NH2 3.07Å; A38-R41 PolarHBondContact O-N 3.45Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.47Å; R41-S44 WeakPolarHBondContact CA-OG 3.36Å; R41-S44 PolarHBondContact O-OG 3.27Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 2.87Å; R41-N45 VanDerWaalsContact O-N 3.13Å; R41-N45 PolarHBondContact O-ND2 3.28Å
42V91.3Very high91.2Very high85 Ų8578.6 Ų78.652%0.51541%0.408SS..Hα-helixtrans-66.8-44.9176.4176.30000109.4A38 A39 S44 N45 I46A38-V42 WeakPolarHBondContact O-CG2 3.23Å; A38-V42 PolarHBondContact O-N 3.33Å; A39-V42 PolarHBondContact O-N 3.01Å; V42-S44 PolarHBondContact O-N 2.98Å; V42-N45 PolarHBondContact O-N 2.79Å; V42-I46 HydrophobicContact CG1-CD1 3.81Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.2Å; V42-I46 PolarHBondContact O-N 2.93Å
43L92.5Very high91.1Very high85 Ų8573.4 Ų73.445%0.44539%0.391SS..Hα-helixtrans-66.9-36.7-179.1-171.754.4000112.4I23 A39 L40 I46 F47I23-L43 HydrophobicContact CD1-CG 4.25Å; I23-L43 HydrophobicContact CG1-CG 4.49Å; I23-L43 HydrophobicContact CG2-CB 4.36Å; I23-L43 HydrophobicContact CG2-CD2 3.35Å; I23-L43 HydrophobicContact CG2-CG 3.86Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-I46 PolarHBondContact O-N 3.47Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 3.11Å
44S90.3Very high91.2Very high2 Ų268.4 Ų68.41%0.01436%0.358CS..Hα-helixtrans-64.7-43.4173.1640000111.8I23 L40 R41 V42 I46 F47 F48I23-S44 VanDerWaalsContact CD1-CA 3.5Å; L40-S44 PolarHBondContact O-N 3.47Å; L40-S44 PolarHBondContact O-OG 3.29Å; R41-S44 WeakPolarHBondContact CA-OG 3.36Å; R41-S44 PolarHBondContact O-OG 3.27Å; V42-S44 PolarHBondContact O-N 2.98Å; S44-I46 PolarHBondContact O-N 3.49Å; S44-F47 WeakPolarHBondContact O-CB 3.34Å; S44-F47 PolarHBondContact O-N 2.89Å; S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.21Å
45N88.8Confident91.3Very high30 Ų3066.3 Ų66.316%0.1635%0.347CS..Hα-helixtrans-62.2-41.1173.8-78.4-38.7000112.9L6 R41 V42 F47 F48 S49L6-N45 WeakPolarHBondContact CB-OD1 3.32Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 2.87Å; R41-N45 VanDerWaalsContact O-N 3.13Å; R41-N45 PolarHBondContact O-ND2 3.28Å; V42-N45 PolarHBondContact O-N 2.79Å; N45-F47 VanDerWaalsContact C-N 3.33Å; N45-F48 PolarHBondContact O-N 2.92Å; N45-S49 WeakPolarHBondContact O-CB 3.31Å; N45-S49 PolarHBondContact O-N 3.41Å; N45-S49 PolarHBondContact O-OG 3.4Å
46I92.2Very high91.3Very high95 Ų9567.7 Ų67.749%0.48736%0.358SS..Hα-helixtrans-61.6-44.2175-71.2167.4000110.3V42 L43 S44 F48 S49 F50V42-I46 HydrophobicContact CG1-CD1 3.81Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.2Å; V42-I46 PolarHBondContact O-N 2.93Å; L43-I46 PolarHBondContact O-N 3.47Å; S44-I46 PolarHBondContact O-N 3.49Å; I46-F48 PolarHBondContact O-N 3.13Å; I46-S49 PolarHBondContact O-N 2.87Å; I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 3.09Å
47F91.5Very high91.3Very high93 Ų9361.5 Ų61.541%0.40833%0.331SS..Hα-helixtrans-61-45178.9175.5-97.9000112.4V19 L43 S44 N45 F50 T51V19-F47 HydrophobicContact CG1-CD1 3.61Å; V19-F47 HydrophobicContact CG1-CE1 4.08Å; V19-F47 HydrophobicContact CG1-CG 4.35Å; V19-F47 HydrophobicContact CG2-CD1 4.42Å; V19-F47 HydrophobicContact CG2-CE1 4.15Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 3.11Å; S44-F47 WeakPolarHBondContact O-CB 3.34Å; S44-F47 PolarHBondContact O-N 2.89Å; N45-F47 VanDerWaalsContact C-N 3.33Å; F47-F50 PolarHBondContact O-N 3.28Å; F47-T51 PolarHBondContact O-N 3.36Å; F47-T51 PolarHBondContact O-OG1 2.72Å
48F88.9Confident91.5Very high29 Ų2955.4 Ų55.413%0.12731%0.308CS..Hα-helixtrans-66.6-45.3176.2-71.1-61.6000112.2L6 V15 V19 S44 N45 I46 F50 T51 E52L6-F48 HydrophobicContact CD1-CB 3.28Å; L6-F48 HydrophobicContact CD1-CD1 4.31Å; L6-F48 HydrophobicContact CD1-CD2 3.33Å; L6-F48 HydrophobicContact CD1-CE2 4.21Å; L6-F48 HydrophobicContact CD1-CG 3.4Å; V15-F48 HydrophobicContact CG1-CE1 4.24Å; V15-F48 HydrophobicContact CG1-CZ 4.21Å; V19-F48 HydrophobicContact CB-CE2 4.45Å; V19-F48 HydrophobicContact CB-CZ 3.98Å; V19-F48 HydrophobicContact CG1-CE2 4.19Å; V19-F48 HydrophobicContact CG1-CZ 4.07Å; V19-F48 HydrophobicContact CG2-CE1 3.95Å; V19-F48 HydrophobicContact CG2-CZ 3.65Å; S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.21Å; N45-F48 PolarHBondContact O-N 2.92Å; I46-F48 PolarHBondContact O-N 3.13Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 3.44Å; F48-T51 PolarHBondContact O-N 2.76Å; F48-E52 WeakPolarHBondContact O-CG 3.42Å; F48-E52 PolarHBondContact O-N 3.02Å
49S89.9Confident91.7Very high30 Ų3055.8 Ų55.821%0.2130%0.301CS..Hα-helixtrans-58.7-40.3177.6-56.60000111.5N45 I46 D53N45-S49 WeakPolarHBondContact O-CB 3.31Å; N45-S49 PolarHBondContact O-N 3.41Å; N45-S49 PolarHBondContact O-OG 3.4Å; I46-S49 PolarHBondContact O-N 2.87Å; S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.3Å
50F92.9Very high91.8Very high66 Ų6659.1 Ų59.129%0.28931%0.31SS..Hα-helixtrans-63.2-44.4174.3168.2-104.2000112.2I46 F47 F48 E52 D53 L54 L79 L82 F84I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 3.09Å; F47-F50 PolarHBondContact O-N 3.28Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 3.44Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.03Å; F50-D53 PolarHBondContact O-N 2.88Å; F50-L54 HydrophobicContact CZ-CD2 4.4Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 3.42Å; F50-L79 HydrophobicContact CZ-CD2 4.23Å; F50-L82 HydrophobicContact CD2-CD1 4.3Å; F50-L82 HydrophobicContact CE2-CD1 3.8Å; F50-F84 HydrophobicContact CD2-CE2 4.32Å; F50-F84 HydrophobicContact CE2-CD2 4.26Å; F50-F84 AromaticContact CE2-CE2 3.38Å; F50-F84 HydrophobicContact CE2-CE2 3.38Å; F50-F84 AromaticContact CE2-CZ 3.7Å; F50-F84 HydrophobicContact CE2-CZ 3.7Å; F50-F84 AromaticContact CZ-CE2 3.91Å; F50-F84 HydrophobicContact CZ-CE2 3.91Å; F50-F84 AromaticContact CZ-CZ 3.96Å; F50-F84 HydrophobicContact CZ-CZ 3.96Å
51T91.8Very high92Very high63 Ų6359.2 Ų59.239%0.38731%0.311SS..Hα-helixtrans-65.2-39.4179.7-54.90000111.4F47 F48 A55F47-T51 PolarHBondContact O-N 3.36Å; F47-T51 PolarHBondContact O-OG1 2.72Å; F48-T51 PolarHBondContact O-N 2.76Å; T51-A55 WeakPolarHBondContact O-CB 3.48Å; T51-A55 PolarHBondContact O-N 3.27Å
52E91.6Very high92.3Very high81 Ų8152.9 Ų52.938%0.37929%0.287SS..Hα-helixtrans-66.1-48.4174.5-71.5-178.5-175.700111.9F48 F50 L54 A55 V56F48-E52 WeakPolarHBondContact O-CG 3.42Å; F48-E52 PolarHBondContact O-N 3.02Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.03Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.41Å; E52-A55 PolarHBondContact O-N 2.97Å; E52-A55 VanDerWaalsContact O-N 3.14Å; E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 2.93Å
53D92.3Very high92.5Very high41 Ų4154.7 Ų54.722%0.21929%0.29CS..Hα-helixtrans-59.8-40.2177.8-87.2-2.9000110.6M1 S49 F50 S57M1-D53 VanDerWaalsContact CA-OD2 3.26Å; M1-D53 WeakPolarHBondContact CA-OD2 3.37Å; M1-D53 PolarHBondContact N-OD2 3.39Å; S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.3Å; F50-D53 PolarHBondContact O-N 2.88Å; D53-S57 WeakPolarHBondContact O-CB 3.49Å; D53-S57 PolarHBondContact O-N 3.43Å
54L94.6Very high92.5Very high29 Ų2955.3 Ų55.315%0.15230%0.301CS..Hα-helixtrans-65.2-42.3174.5179.163.4000112.3F50 E52 S57 S58 L79 L82F50-L54 HydrophobicContact CZ-CD2 4.4Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 3.42Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-N 3.39Å; L54-S58 WeakPolarHBondContact O-CB 3.46Å; L54-S58 PolarHBondContact O-N 2.94Å; L54-S58 PolarHBondContact O-OG 2.91Å; L54-L79 HydrophobicContact CD1-CD2 3.84Å; L54-L79 HydrophobicContact CD1-CG 3.89Å; L54-L79 HydrophobicContact CD2-CD2 4Å; L54-L82 HydrophobicContact CB-CD1 3.95Å; L54-L82 HydrophobicContact CD1-CD1 3.93Å
55A93.5Very high92.6Very high49 Ų4958.5 Ų58.541%0.40532%0.323SS..Hα-helixtrans-64.5-43.1179.100000111.7T51 E52 S58 L59T51-A55 WeakPolarHBondContact O-CB 3.48Å; T51-A55 PolarHBondContact O-N 3.27Å; E52-A55 PolarHBondContact O-N 2.97Å; E52-A55 VanDerWaalsContact O-N 3.14Å; A55-S58 PolarHBondContact O-N 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 2.91Å
56V93Very high92.8Very high98 Ų9860.6 Ų60.659%0.59435%0.352SS*.Hα-helixtrans-65.3-45177.1173.20000110.9E52 S58 L59 M60E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 2.93Å; V56-S58 PolarHBondContact O-N 3.25Å; V56-L59 PolarHBondContact O-N 3.47Å; V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 3.07Å
57S93.2Very high92.8Very high17 Ų1759.1 Ų59.112%0.11934%0.34CS..Hα-helixtrans-60.4-45176.1172.70000111.8D53 L54 L59 M60 N61 G78D53-S57 WeakPolarHBondContact O-CB 3.49Å; D53-S57 PolarHBondContact O-N 3.43Å; L54-S57 PolarHBondContact O-N 3.39Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.85Å; S57-M60 PolarHBondContact O-N 3.33Å; S57-N61 PolarHBondContact O-N 2.82Å; S57-N61 PolarHBondContact O-ND2 2.9Å; S57-G78 VanDerWaalsContact OG-CA 3.27Å; S57-G78 WeakPolarHBondContact OG-CA 3.36Å
58S94.5Very high92.8Very high3 Ų361.3 Ų61.32%0.02136%0.361CS..Hα-helixtrans-64.1-39.4177.4-54.30000112.1L54 A55 V56 N61 A62L54-S58 WeakPolarHBondContact O-CB 3.46Å; L54-S58 PolarHBondContact O-N 2.94Å; L54-S58 PolarHBondContact O-OG 2.91Å; A55-S58 PolarHBondContact O-N 3.26Å; V56-S58 PolarHBondContact O-N 3.25Å; S58-N61 PolarHBondContact O-N 2.99Å; S58-A62 PolarHBondContact O-N 3.41Å
59L94.5Very high92.9Very high66 Ų6663 Ų6335%0.34638%0.377SS..Hα-helixtrans-65.4-44.2175.9-179.763.4000111.4A55 V56 S57 N61 A62 E63 I70A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 2.91Å; V56-L59 PolarHBondContact O-N 3.47Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.85Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.91Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-A62 VanDerWaalsContact O-N 3.07Å; L59-E63 HydrophobicContact CD1-CG 4.17Å; L59-E63 HydrophobicContact CG-CG 4.25Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.07Å; L59-I70 HydrophobicContact CB-CD1 4.37Å
60M94.1Very high93.1Very high119 Ų11965.3 Ų65.359%0.58639%0.386SS*.Hα-helixtrans-59.7-39.1177-172.3166.770.700111.5V56 S57 S64V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 3.07Å; S57-M60 PolarHBondContact O-N 3.33Å; M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.43Å
61N93.3Very high93.2Very high30 Ų3066.2 Ų66.216%0.1639%0.393CS..Hα-helixtrans-65.9-41.6173.7-72.6-25.7000111.9S57 S58 L59 S64 S65 D74 D81S57-N61 PolarHBondContact O-N 2.82Å; S57-N61 PolarHBondContact O-ND2 2.9Å; S58-N61 PolarHBondContact O-N 2.99Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.91Å; N61-S64 PolarHBondContact O-N 3Å; N61-S64 PolarHBondContact O-OG 3.19Å; N61-S65 PolarHBondContact O-N 3.46Å; N61-D74 HydrophobicContact CB-CB 4.25Å; N61-D81 PolarHBondContact ND2-OD2 3.45Å
62A94.7Very high93.4Very high0 Ų069.5 Ų69.50%041%0.408CS..Hα-helixtrans-65.1-43.2175.200000112.5S58 L59 S65 G66 R67 I70S58-A62 PolarHBondContact O-N 3.41Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-A62 VanDerWaalsContact O-N 3.07Å; A62-S65 CarbonylContact O-C 3.6Å; A62-S65 WeakPolarHBondContact O-CA 3.33Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.09Å; A62-G66 PolarHBondContact O-N 3.32Å; A62-R67 CarbonylContact C-O 3.55Å; A62-R67 PolarHBondContact O-N 3.37Å; A62-I70 HydrophobicContact CB-CG1 4.39Å
63E95.2Very high93.4Very high123 Ų12368.5 Ų68.558%0.57541%0.41SS*.Hα-helixtrans-64.3-39.5177.3-74.1179.6173.200111.7L59 S65 G66L59-E63 HydrophobicContact CD1-CG 4.17Å; L59-E63 HydrophobicContact CG-CG 4.25Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.07Å; E63-S65 PolarHBondContact O-N 3.4Å; E63-G66 WeakPolarHBondContact O-CA 3.34Å; E63-G66 PolarHBondContact O-N 3.01Å
64S92.4Very high93.6Very high98 Ų9866.8 Ų66.869%0.68540%0.401SS*.Hα-helixtrans-61.9-28.7173.979.10000112.7M60 N61 G66M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-N 3Å; N61-S64 PolarHBondContact O-OG 3.19Å; S64-G66 VanDerWaalsContact C-N 3.29Å
65S92.8Very high93.6Very high69 Ų6968.4 Ų68.448%0.48341%0.409SS..THydrogen-bonded Turntrans-82.3-2.6172.8-178.80000113.2N61 A62 E63 R67N61-S65 PolarHBondContact O-N 3.46Å; A62-S65 CarbonylContact O-C 3.6Å; A62-S65 WeakPolarHBondContact O-CA 3.33Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.09Å; E63-S65 PolarHBondContact O-N 3.4Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 2.98Å; S65-R67 PolarHBondContact OG-NE 3.4Å; S65-R67 PolarHBondContact OG-NH2 3.36Å
66G93Very high93.6Very high73 Ų7368.3 Ų68.375%0.75340%0.403SS*.THydrogen-bonded Turntrans73.416.3-174.600000114.4A62 E63 S64A62-G66 PolarHBondContact O-N 3.32Å; E63-G66 WeakPolarHBondContact O-CA 3.34Å; E63-G66 PolarHBondContact O-N 3.01Å; S64-G66 VanDerWaalsContact C-N 3.29Å
67R91.9Very high93.7Very high65 Ų6567.7 Ų67.725%0.24540%0.396CS..  trans-105.8144.7179.1-68-178.9-75.6110.3-6.3110.3A62 S65 S69 D74A62-R67 CarbonylContact C-O 3.55Å; A62-R67 PolarHBondContact O-N 3.37Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 2.98Å; S65-R67 PolarHBondContact OG-NE 3.4Å; S65-R67 PolarHBondContact OG-NH2 3.36Å; R67-S69 PolarHBondContact NH1-O 3.32Å; R67-S69 VanDerWaalsContact NH1-O 3.13Å; R67-D74 IonicContact CZ-OD1 3.87Å; R67-D74 IonicContact CZ-OD2 2.69Å; R67-D74 IonicContact NH1-OD1 2.88Å; R67-D74 IonicContact NH1-OD2 3.73Å; R67-D74 PolarHBondContact NH1-OD2 3.28Å; R67-D74 IonicContact NH2-OD1 3.53Å; R67-D74 PolarHBondContact NH2-OD1 3.44Å; R67-D74 IonicContact NH2-OD2 3.54Å; R67-D74 PolarHBondContact NH2-OD2 2.91Å
68T90.1Very high93.7Very high138 Ų13866.9 Ų66.985%0.84739%0.39SS*.SBendtrans-93.6-14.5169.754.10000112.7
69S92.5Very high93.6Very high66 Ų6668.1 Ų68.146%0.46240%0.397SS..SBendtrans-93.1122.9177.661.60000110.9R67 L71R67-S69 PolarHBondContact NH1-O 3.32Å; R67-S69 VanDerWaalsContact NH1-O 3.13Å; S69-L71 PolarHBondContact O-N 2.88Å
70I94.2Very high93.6Very high78 Ų7869.2 Ų69.240%0.440%0.402SS..PPolyproline II helixtrans-73.7119.7174.3-56.7172.1000108.8L59 A62 D74 I75L59-I70 HydrophobicContact CB-CD1 4.37Å; A62-I70 HydrophobicContact CB-CG1 4.39Å; I70-D74 HydrophobicContact CG2-CB 4.17Å; I70-I75 HydrophobicContact CG2-CD1 4.19Å; I70-I75 HydrophobicContact CG2-CG1 3.73Å
71L95Very high93.5Very high85 Ų8568.4 Ų68.445%0.44540%0.4SS..PPolyproline II helixtrans-93.4164.5172.7-68.6176.2000110.8S69 S73 D74 I75S69-L71 PolarHBondContact O-N 2.88Å; L71-S73 PolarHBondContact O-N 2.88Å; L71-D74 PolarHBondContact N-OD2 3.42Å; L71-D74 WeakPolarHBondContact O-CB 3.44Å; L71-D74 PolarHBondContact O-N 3.27Å; L71-I75 PolarHBondContact O-N 2.87Å
72L94.6Very high93.4Very high132 Ų13270 Ų7069%0.69141%0.408SS*.Hα-helixtrans-55.8-36.8174.4179.762.2000112.1D74 I75 V76L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.48Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 HydrophobicContact CG-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.27Å
73S92.7Very high93.2Very high60 Ų6073.1 Ų73.142%0.4244%0.44SS..Hα-helixtrans-59-38.4175.953.10000112.8L71 I75 V76 L77L71-S73 PolarHBondContact O-N 2.88Å; S73-I75 VanDerWaalsContact C-N 3.34Å; S73-V76 PolarHBondContact O-N 2.7Å; S73-L77 WeakPolarHBondContact O-CG 3.29Å; S73-L77 PolarHBondContact O-N 3.24Å
74D95.9Very high92.9Very high5 Ų572.6 Ų72.63%0.02744%0.436CS..Hα-helixtrans-71.2-35.7-177.2-48.9-30.4000110N61 R67 I70 L71 L72 G78N61-D74 HydrophobicContact CB-CB 4.25Å; R67-D74 IonicContact CZ-OD1 3.87Å; R67-D74 IonicContact CZ-OD2 2.69Å; R67-D74 IonicContact NH1-OD1 2.88Å; R67-D74 IonicContact NH1-OD2 3.73Å; R67-D74 PolarHBondContact NH1-OD2 3.28Å; R67-D74 IonicContact NH2-OD1 3.53Å; R67-D74 PolarHBondContact NH2-OD1 3.44Å; R67-D74 IonicContact NH2-OD2 3.54Å; R67-D74 PolarHBondContact NH2-OD2 2.91Å; I70-D74 HydrophobicContact CG2-CB 4.17Å; L71-D74 PolarHBondContact N-OD2 3.42Å; L71-D74 WeakPolarHBondContact O-CB 3.44Å; L71-D74 PolarHBondContact O-N 3.27Å; L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.48Å; D74-G78 PolarHBondContact O-N 2.92Å
75I94.7Very high92.7Very high63 Ų6373.5 Ų73.532%0.32343%0.433SS..Hα-helixtrans-68.9-43.1174-58.2171.3000111.1I70 L71 L72 S73 L77 G78 L79I70-I75 HydrophobicContact CG2-CD1 4.19Å; I70-I75 HydrophobicContact CG2-CG1 3.73Å; L71-I75 PolarHBondContact O-N 2.87Å; L72-I75 PolarHBondContact O-N 2.9Å; S73-I75 VanDerWaalsContact C-N 3.34Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.46Å; I75-G78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 4.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.22Å
76V94.3Very high92.4Very high47 Ų4772 Ų7229%0.28542%0.422SS..Hα-helixtrans-59.8-44.9175.9167.70000110.5L72 S73 L79 I80 V86L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 HydrophobicContact CG-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.27Å; S73-V76 PolarHBondContact O-N 2.7Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 VanDerWaalsContact O-CG1 3.29Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.9Å; V76-I80 VanDerWaalsContact O-N 3.08Å; V76-V86 HydrophobicContact CG1-CG1 4.17Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å
77L93.3Very high92.1Very high84 Ų8472.5 Ų72.544%0.4441%0.413SS..Hα-helixtrans-63-43.1174.1-71.9172.1000111.8S73 I75 L79 I80 D81S73-L77 WeakPolarHBondContact O-CG 3.29Å; S73-L77 PolarHBondContact O-N 3.24Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.46Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.01Å; L77-I80 WeakPolarHBondContact O-CB 3.36Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-I80 VanDerWaalsContact O-N 3.11Å; L77-D81 VanDerWaalsContact O-CG 3.29Å; L77-D81 PolarHBondContact O-N 3.49Å
78G93.6Very high91.6Very high0 Ų070.8 Ų70.80%042%0.416CS..Hα-helixtrans-61.8-35.6176.600000113.5S57 D74 I75 D81 L82S57-G78 VanDerWaalsContact OG-CA 3.27Å; S57-G78 WeakPolarHBondContact OG-CA 3.36Å; D74-G78 PolarHBondContact O-N 2.92Å; I75-G78 PolarHBondContact O-N 3.44Å; G78-D81 PolarHBondContact O-N 2.91Å; G78-L82 WeakPolarHBondContact O-CG 3.38Å; G78-L82 PolarHBondContact O-N 3.36Å; G78-L82 VanDerWaalsContact O-N 3.1Å
79L93.5Very high91.2Very high30 Ų3069 Ų6916%0.15740%0.401CS..Hα-helixtrans-66.6-41.3172.7-74.3171.8000112F50 L54 I75 V76 L77 D81 L82 G83 F84 V86F50-L79 HydrophobicContact CZ-CD2 4.23Å; L54-L79 HydrophobicContact CD1-CD2 3.84Å; L54-L79 HydrophobicContact CD1-CG 3.89Å; L54-L79 HydrophobicContact CD2-CD2 4Å; I75-L79 HydrophobicContact CG2-CD1 4.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.22Å; V76-L79 PolarHBondContact O-N 3.3Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.01Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-L82 PolarHBondContact O-N 3.34Å; L79-G83 PolarHBondContact O-N 2.94Å; L79-F84 HydrophobicContact CB-CB 4.26Å; L79-F84 HydrophobicContact CD2-CB 4.47Å; L79-F84 HydrophobicContact CD2-CD2 4.36Å; L79-F84 HydrophobicContact CD2-CG 4.38Å; L79-F84 WeakPolarHBondContact O-CB 3.39Å; L79-F84 PolarHBondContact O-N 2.71Å; L79-V86 HydrophobicContact CB-CG2 4.4Å
80I93.2Very high90.5Very high88 Ų8873 Ų7345%0.45142%0.417SS..Hα-helixtrans-64.2-41.1176.1-66.2164000110.4V76 L77 L82 G83 V86V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 VanDerWaalsContact O-CG1 3.29Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.9Å; V76-I80 VanDerWaalsContact O-N 3.08Å; L77-I80 WeakPolarHBondContact O-CB 3.36Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-I80 VanDerWaalsContact O-N 3.11Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.28Å; I80-G83 WeakPolarHBondContact O-CA 3.46Å; I80-G83 PolarHBondContact O-N 3.2Å; I80-V86 HydrophobicContact CD1-CG2 4.16Å; I80-V86 HydrophobicContact CG1-CG2 3.64Å
81D92.3Very high89.6Confident102 Ų10277 Ų7755%0.54543%0.434SS..Hα-helixtrans-63.7-33177.3-70.7-26000112.1N61 L77 G78 L79 G83N61-D81 PolarHBondContact ND2-OD2 3.45Å; L77-D81 VanDerWaalsContact O-CG 3.29Å; L77-D81 PolarHBondContact O-N 3.49Å; G78-D81 PolarHBondContact O-N 2.91Å; L79-D81 VanDerWaalsContact C-N 3.34Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.9Å
82L91Very high88.4Confident64 Ų6477.8 Ų77.834%0.33544%0.437SS..THydrogen-bonded Turntrans-78.9-4.7172.3-68.2173.2000113.6F50 L54 G78 L79 I80 F84F50-L82 HydrophobicContact CD2-CD1 4.3Å; F50-L82 HydrophobicContact CE2-CD1 3.8Å; L54-L82 HydrophobicContact CB-CD1 3.95Å; L54-L82 HydrophobicContact CD1-CD1 3.93Å; G78-L82 WeakPolarHBondContact O-CG 3.38Å; G78-L82 PolarHBondContact O-N 3.36Å; G78-L82 VanDerWaalsContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.34Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.28Å; L82-F84 HydrophobicContact CB-CD2 3.95Å; L82-F84 HydrophobicContact CB-CE2 4.24Å
83G90.5Very high87.1Confident66 Ų6675.9 Ų75.968%0.6843%0.433SS*.THydrogen-bonded Turntrans85.820.3177.500000115.3L79 I80 D81L79-G83 PolarHBondContact O-N 2.94Å; I80-G83 WeakPolarHBondContact O-CA 3.46Å; I80-G83 PolarHBondContact O-N 3.2Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.9Å
84F88.8Confident85.7Confident111 Ų11185.1 Ų85.149%0.48746%0.459SS..  trans-84.3135.2174.7-76.8-95.3000111.7F50 L79 L82 V86F50-F84 HydrophobicContact CD2-CE2 4.32Å; F50-F84 HydrophobicContact CE2-CD2 4.26Å; F50-F84 AromaticContact CE2-CE2 3.38Å; F50-F84 HydrophobicContact CE2-CE2 3.38Å; F50-F84 AromaticContact CE2-CZ 3.7Å; F50-F84 HydrophobicContact CE2-CZ 3.7Å; F50-F84 AromaticContact CZ-CE2 3.91Å; F50-F84 HydrophobicContact CZ-CE2 3.91Å; F50-F84 AromaticContact CZ-CZ 3.96Å; F50-F84 HydrophobicContact CZ-CZ 3.96Å; L79-F84 HydrophobicContact CB-CB 4.26Å; L79-F84 HydrophobicContact CD2-CB 4.47Å; L79-F84 HydrophobicContact CD2-CD2 4.36Å; L79-F84 HydrophobicContact CD2-CG 4.38Å; L79-F84 WeakPolarHBondContact O-CB 3.39Å; L79-F84 PolarHBondContact O-N 2.71Å; L82-F84 HydrophobicContact CB-CD2 3.95Å; L82-F84 HydrophobicContact CB-CE2 4.24Å; F84-V86 PolarHBondContact O-N 3.35Å
85D89.2Confident84.1Confident117 Ų11790 Ų9063%0.62648%0.48SS*.  trans-78.8107.6169.3-177.915.6000110.3S87D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 VanDerWaalsContact OD1-CB 3.24Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.36Å
86V86.7Confident82.3Confident39 Ų3997 Ų9724%0.23650%0.502CS..SBendtrans-68.8-23.4-179.1-1730000111.4V76 L79 I80 F84 L89V76-V86 HydrophobicContact CG1-CG1 4.17Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å; L79-V86 HydrophobicContact CB-CG2 4.4Å; I80-V86 HydrophobicContact CD1-CG2 4.16Å; I80-V86 HydrophobicContact CG1-CG2 3.64Å; F84-V86 PolarHBondContact O-N 3.35Å; V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.08Å
87S85.7Confident80.5Confident82 Ų82101.9 Ų101.957%0.57352%0.524SS*.G310 helixtrans-65.2-43.1-179.2-40.50000111.2D85 L89 N90D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 VanDerWaalsContact OD1-CB 3.24Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.36Å; S87-L89 PolarHBondContact O-N 2.85Å; S87-N90 PolarHBondContact O-N 3.11Å
88G82.1Confident78.8Confident30 Ų30101.9 Ų101.931%0.30952%0.519SS..G310 helixtrans-67.2-16.7178.200000114.4N90 E91G88-N90 PolarHBondContact O-N 3.16Å; G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å
89L80.5Confident77Confident101 Ų101112.7 Ų112.753%0.52956%0.559SS.*G310 helixtrans-64-30.9178.6-164.875.2000112V86 S87 E91 I92V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.08Å; S87-L89 PolarHBondContact O-N 2.85Å; L89-E91 VanDerWaalsContact C-N 3.3Å; L89-E91 PolarHBondContact O-N 3.05Å; L89-I92 HydrophobicContact CD1-CD1 3.66Å; L89-I92 HydrophobicContact CG-CD1 4.44Å
90N77.9Confident75.2Confident149 Ų149113.6 Ų113.680%0.79758%0.575SS**G310 helixtrans-71.9-24.5177.8-71.3-37.5000113.1S87 G88S87-N90 PolarHBondContact O-N 3.11Å; G88-N90 PolarHBondContact O-N 3.16Å
91E76.3Confident73.3Confident163 Ų163112.6 Ų112.676%0.76258%0.576SS**G310 helixtrans-87.5-10.8-177.2-61.3-174.8175.600112.8G88 L89 P93G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å; L89-E91 VanDerWaalsContact C-N 3.3Å; L89-E91 PolarHBondContact O-N 3.05Å; E91-P93 WeakPolarHBondContact O-CD 3.25Å
92I70.8Confident71.6Confident100 Ų100117 Ų11751%0.51359%0.59SS.*SBendtrans-59.5114.2-178.9-61.1179.1000108L89 R94L89-I92 HydrophobicContact CD1-CD1 3.66Å; L89-I92 HydrophobicContact CG-CD1 4.44Å; I92-R94 PolarHBondContact O-N 2.92Å
93P66Low70Confident93 Ų93121.5 Ų121.560%0.60461%0.609SS**  trans-58.6133179.321.9-30.2000107E91 K95E91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-K95 PolarHBondContact O-N 3.46Å
94R63Low68.3Low253 Ų253122.3 Ų122.396%0.95560%0.602SS**  trans-61.384.5175.4-63.1-174.6-134.7-178.84.2108.1I92 R96I92-R94 PolarHBondContact O-N 2.92Å; R94-R96 PolarHBondContact O-N 3.49Å
95K62.5Low66.6Low109 Ų109123.4 Ų123.447%0.47462%0.618SS.*PPolyproline II helixtrans-60.9133.4178.2-75.5-174.6174.8-176.50106.4S29 P93 M97S29-K95 PolarHBondContact OG-NZ 3Å; P93-K95 PolarHBondContact O-N 3.46Å; K95-M97 PolarHBondContact O-N 3.42Å; K95-M97 VanDerWaalsContact O-N 3.14Å
96R57.5Low64.8Low208 Ų208120.8 Ų120.879%0.78561%0.609SS**PPolyproline II helixtrans-47123.5-176.3-160.8176-172.9-172.71.3108.4Y25 R94 Y98Y25-R96 PolarHBondContact OH-O 3.41Å; R94-R96 PolarHBondContact O-N 3.49Å; R96-Y98 PolarHBondContact O-N 2.83Å
97M57.3Low63.2Low150 Ų150123.7 Ų123.774%0.73962%0.623SS**PPolyproline II helixtrans-48.7128.6178.8-169160.77500109.1K95 R99K95-M97 PolarHBondContact O-N 3.42Å; K95-M97 VanDerWaalsContact O-N 3.14Å; M97-R99 PolarHBondContact O-N 3.34Å
98Y57.8Low61.6Low85 Ų85123 Ų12333%0.33363%0.628SS.*  trans-57.6102.6179.2-177.3-122.1000108.7Y25 R96 G100 C101Y25-Y98 AromaticContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CG 4.19Å; Y25-Y98 AromaticContact CD2-CD2 3.14Å; Y25-Y98 HydrophobicContact CD2-CD2 3.14Å; Y25-Y98 AromaticContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CE2 3.47Å; Y25-Y98 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CG 4.22Å; Y25-Y98 HydrophobicContact CE1-CD2 4.3Å; Y25-Y98 AromaticContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CE2 4.28Å; Y25-Y98 AromaticContact CG-CD2 3.24Å; Y25-Y98 HydrophobicContact CG-CD2 3.24Å; Y25-Y98 AromaticContact CG-CE2 3.69Å; Y25-Y98 HydrophobicContact CG-CE2 3.69Å; Y25-Y98 AromaticContact CG-CG 3.95Å; Y25-Y98 HydrophobicContact CG-CG 3.95Å; R96-Y98 PolarHBondContact O-N 2.83Å; Y98-G100 PolarHBondContact O-N 3.19Å; Y98-C101 HydrophobicContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CE1-CA 3.43Å; Y98-C101 HydrophobicContact CE1-CB 3.72Å; Y98-C101 PolarHBondContact O-SG 2.93Å; Y98-C101 VanDerWaalsContact O-SG 3.4Å
99R54.3Low59.7Low227 Ų227125.9 Ų125.986%0.85764%0.644SS**THydrogen-bonded Turntrans-74.1-4.6-179.9-76.1-88.7-171.3-163.90.4112.4M97M97-R99 PolarHBondContact O-N 3.34Å
100G56.5Low58.1Low48 Ų48124.3 Ų124.350%0.49564%0.641SS.*THydrogen-bonded Turntrans-106.90.7-172.100000115.4Y98 K102Y98-G100 PolarHBondContact O-N 3.19Å; G100-K102 PolarHBondContact O-N 3.23Å; G100-K102 VanDerWaalsContact O-N 3.14Å
101C52.9Low56.7Low67 Ų67122.5 Ų122.545%0.45364%0.637SS.*  trans-69.6117.5173.644.30000107.5Y98 E103Y98-C101 HydrophobicContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CE1-CA 3.43Å; Y98-C101 HydrophobicContact CE1-CB 3.72Å; Y98-C101 PolarHBondContact O-SG 2.93Å; Y98-C101 VanDerWaalsContact O-SG 3.4Å; C101-E103 VanDerWaalsContact C-N 3.34Å; C101-E103 PolarHBondContact O-N 3.26Å
102K56.8Low55.1Low194 Ų194124.6 Ų124.684%0.84364%0.644SS**  trans-58.1110.1153-72.3179.9178.1176.90104.9G100G100-K102 PolarHBondContact O-N 3.23Å; G100-K102 VanDerWaalsContact O-N 3.14Å
103E56.7Low53.6Low160 Ų160129.5 Ų129.575%0.74866%0.662SS**  trans-48.8135.9172.3-67.8173.8177.400107.5C101 T105C101-E103 VanDerWaalsContact C-N 3.34Å; C101-E103 PolarHBondContact O-N 3.26Å; E103-T105 PolarHBondContact O-N 2.91Å
104P54.5Low52.4Low82 Ų82127.5 Ų127.553%0.53266%0.657SS.*  trans-53.6114.3175.620.9-29.8000106.8V18 S106V18-P104 HydrophobicContact CG2-CB 4.02Å; V18-P104 HydrophobicContact CG2-CG 4.31Å; P104-S106 PolarHBondContact O-N 3.5Å
105T53.9Low51.5Low134 Ų134121.8 Ų121.882%0.82265%0.651SS**  trans-63.9114.4-178.5-90000105E103 I107E103-T105 PolarHBondContact O-N 2.91Å; T105-I107 PolarHBondContact O-N 2.74Å
106S52Low50.6Low63 Ų63122 Ų12244%0.44166%0.661SS.*  trans-51.9119.4-179.458.40000108.4P104 G108 S109P104-S106 PolarHBondContact O-N 3.5Å; S106-G108 VanDerWaalsContact C-N 3.25Å; S106-G108 PolarHBondContact O-N 2.94Å; S106-S109 WeakPolarHBondContact OG-CB 3.38Å; S106-S109 PolarHBondContact OG-N 3.26Å; S106-S109 PolarHBondContact OG-OG 2.96Å
107I52.4Low50.3Low100 Ų100115 Ų11551%0.51364%0.643SS.*THydrogen-bonded Turntrans-63.996.3165.4-71.1164.2000105.5T105 V120T105-I107 PolarHBondContact O-N 2.74Å; I107-V120 HydrophobicContact CG2-CG2 4.31Å
108G51.3Low50.3Low66 Ų66110.7 Ų110.768%0.6863%0.631SS**THydrogen-bonded Turntrans115.23.8173.900000118.7S106 S110S106-G108 VanDerWaalsContact C-N 3.25Å; S106-G108 PolarHBondContact O-N 2.94Å; G108-S110 PolarHBondContact O-N 3.3Å
109S42.6Very low50.2Low92 Ų92109.1 Ų109.164%0.64364%0.636SS**  trans-88.4102.6166.189.40000111.2S106S106-S109 WeakPolarHBondContact OG-CB 3.38Å; S106-S109 PolarHBondContact OG-N 3.26Å; S106-S109 PolarHBondContact OG-OG 2.96Å
110S47.6Very low50.6Low67 Ų67100.6 Ų100.647%0.46961%0.609SS.*  trans-102.1161.7142.177.20000106G108G108-S110 PolarHBondContact O-N 3.3Å
111P47.3Very low51.1Low111 Ų111104 Ų10472%0.72162%0.615SS**  -155.9134.177.835.3-13.3000115.8
112K44Very low51.8Low208 Ų208101 Ų10190%0.90460%0.596SS**SBendtrans-125.389.5132.2-72.5-173.6-178.6177.50106.6
113K38.8Very low52Low203 Ų20397.2 Ų97.288%0.88359%0.591SS**SBendtrans69.6125.6-179.7-64.4171.5172.7175.80115.7
114G41.4Very low52.6Low50 Ų5092.7 Ų92.752%0.51559%0.588SS.*  trans99112.7159.100000113.8V116G114-V116 PolarHBondContact O-N 3.14Å
115V43.1Very low53.4Low134 Ų13491 Ų9181%0.81259%0.585SS**  trans-54.1106.7167178.50000108.5
116V43.7Very low53.9Low114 Ų11489.3 Ų89.369%0.69158%0.575SS**  trans-106.189.6169.5-172.70000108.3G114 A118G114-V116 PolarHBondContact O-N 3.14Å; V116-A118 HydrophobicContact CG1-CB 4.21Å; V116-A118 PolarHBondContact O-N 3.36Å; V116-A118 VanDerWaalsContact O-N 3.11Å
117C51.9Low54.5Low61 Ų6190.6 Ų90.641%0.41258%0.58SS.*  trans-76.573162.5-67.80000108.5A119 I129C117-A119 PolarHBondContact O-N 3.43Å; C117-I129 HydrophobicContact CB-CG2 3.96Å
118A56Low55Low59 Ų5990.2 Ų90.249%0.48858%0.578SS.*PPolyproline II helixtrans-72.3122.8168.100000108V116 V120V116-A118 HydrophobicContact CG1-CB 4.21Å; V116-A118 PolarHBondContact O-N 3.36Å; V116-A118 VanDerWaalsContact O-N 3.11Å; A118-V120 PolarHBondContact O-N 2.92Å
119A56.5Low55.8Low52 Ų5291.7 Ų91.743%0.4357%0.57SS.*PPolyproline II helixtrans-65.7125.1174.300000108.9C117 T127 I128 I129C117-A119 PolarHBondContact O-N 3.43Å; A119-T127 HydrophobicContact CB-CG2 3.59Å; A119-I128 CarbonylContact C-O 3.2Å; A119-I128 WeakPolarHBondContact CA-O 3.36Å; A119-I129 HydrophobicContact CB-CG1 4.17Å
120V62.8Low56.4Low48 Ų4889.4 Ų89.429%0.29155%0.552SS.*EExtended strand (participates in β ladder)trans-95.7133.3175.1179.60000107.6I107 A118 G122 I128I107-V120 HydrophobicContact CG2-CG2 4.31Å; A118-V120 PolarHBondContact O-N 2.92Å; V120-G122 PolarHBondContact O-N 2.94Å; V120-G122 VanDerWaalsContact O-N 3.16Å; V120-I128 PolarHBondContact N-O 3.29Å; V120-I128 PolarHBondContact O-N 3.49Å
121L67.1Low56.7Low118 Ų11896.1 Ų96.162%0.61857%0.567SS**EExtended strand (participates in β ladder)trans-70.1111.8174.2-134.683.8000108.7T127L121-T127 HydrophobicContact CD1-CG2 4.06Å
122G68.2Low57.1Low6 Ų696.2 Ų96.26%0.06257%0.568CS.*  trans-69.2166.7171.400000111.9V120 G124 G125 T126V120-G122 PolarHBondContact O-N 2.94Å; V120-G122 VanDerWaalsContact O-N 3.16Å; G122-G124 PolarHBondContact O-N 3.49Å; G122-G125 PolarHBondContact O-N 3.19Å; G122-T126 WeakPolarHBondContact CA-O 3.35Å; G122-T126 PolarHBondContact N-O 2.94Å
123P60.8Low57.4Low113 Ų11394.9 Ų94.973%0.73457%0.57SS**THydrogen-bonded Turntrans-66.714.6-171.625.6-34.6000116.8G9G9-P123 WeakPolarHBondContact O-CB 3.29Å; G9-P123 VanDerWaalsContact O-CG 3.22Å; G9-P123 WeakPolarHBondContact O-CG 3.3Å
124G69.5Low57.7Low66 Ų6690 Ų9068%0.6856%0.561SS**THydrogen-bonded Turntrans-130.318169.500000113.6G122 T126G122-G124 PolarHBondContact O-N 3.49Å; G124-T126 PolarHBondContact O-N 3.45Å
125G69.7Low57.8Low47 Ų4795.4 Ų95.449%0.48558%0.577SS.*SBendtrans78.2-3.6-170.500000113.8G122 T127G122-G125 PolarHBondContact O-N 3.19Å; G125-T127 PolarHBondContact O-N 3.2Å
126T66.2Low57.7Low97 Ų97100.2 Ų100.260%0.59558%0.581SS**  trans-70.4120.9179.6-19.10000110.2G122 G124 I128G122-T126 WeakPolarHBondContact CA-O 3.35Å; G122-T126 PolarHBondContact N-O 2.94Å; G124-T126 PolarHBondContact O-N 3.45Å; T126-I128 PolarHBondContact O-N 3.38Å; T126-I128 VanDerWaalsContact O-N 3.15Å
127T64Low57.6Low91 Ų9199.6 Ų99.656%0.55858%0.58SS**EExtended strand (participates in β ladder)trans-69.7109.8175.712.80000110.1A119 L121 G125A119-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CD1-CG2 4.06Å; G125-T127 PolarHBondContact O-N 3.2Å
128I63.3Low56.9Low92 Ų92104.1 Ų104.147%0.47260%0.6SS.*EExtended strand (participates in β ladder)trans-89.5118.4173.6-58.4174.8000107.5A119 V120 T126 P130A119-I128 CarbonylContact C-O 3.2Å; A119-I128 WeakPolarHBondContact CA-O 3.36Å; V120-I128 PolarHBondContact N-O 3.29Å; V120-I128 PolarHBondContact O-N 3.49Å; T126-I128 PolarHBondContact O-N 3.38Å; T126-I128 VanDerWaalsContact O-N 3.15Å; I128-P130 WeakPolarHBondContact O-CD 3.39Å
129I66.3Low55.7Low97 Ų97114.2 Ų114.250%0.49763%0.625SS.*  trans-92.3104.3170.6-58173.6000107.1C117 A119 R131C117-I129 HydrophobicContact CB-CG2 3.96Å; A119-I129 HydrophobicContact CB-CG1 4.17Å; I129-R131 PolarHBondContact O-N 3.1Å
130P57Low55.1Low44 Ų44116.9 Ų116.929%0.28664%0.641SS.*  trans-64.3113.6174.925.8-31.7000108.5I128I128-P130 WeakPolarHBondContact O-CD 3.39Å
131R54.1Low53.9Low207 Ų207118.3 Ų118.378%0.78167%0.665SS**  trans-100131.5168.6-66.2-127.9-167.1137.31.5108.4I129 L133I129-R131 PolarHBondContact O-N 3.1Å; R131-L133 PolarHBondContact O-N 3.46Å
132P54.8Low52.6Low114 Ų114120.2 Ų120.274%0.7468%0.676SS**  trans-60.9127.4167.725.3-31000108.5S134P132-S134 VanDerWaalsContact C-N 3.3Å; P132-S134 PolarHBondContact O-N 2.93Å
133L51.2Low51.5Low180 Ų180124 Ų12494%0.94270%0.699SS**  trans-61.492.3169.9-76.3163.3000108.3R131 L135R131-L133 PolarHBondContact O-N 3.46Å; L133-L135 PolarHBondContact O-N 3.3Å
134S45.1Very low50.3Low99 Ų99129.2 Ų129.269%0.69271%0.705SS**  trans-89.899.8167.9-171.30000107.9P132 R136P132-S134 VanDerWaalsContact C-N 3.3Å; P132-S134 PolarHBondContact O-N 2.93Å; S134-R136 PolarHBondContact O-N 3.4Å
135L43Very low48.7Very low164 Ų164136.3 Ų136.386%0.85972%0.717SS**  trans-64.2100.1157.1-68.4169.7000106.4L133 P137L133-L135 PolarHBondContact O-N 3.3Å; L135-P137 VanDerWaalsContact O-CD 3.23Å; L135-P137 WeakPolarHBondContact O-CD 3.33Å
136R41Very low47.1Very low235 Ų235137.8 Ų137.889%0.88773%0.732SS**  trans-66.5121.8171.2-90.3-172.6174-132.71.5108.9S134S134-R136 PolarHBondContact O-N 3.4Å
137P40.8Very low45.6Very low102 Ų102136.3 Ų136.366%0.66274%0.736SS**  trans-85.2141.8159.88.712000109L135L135-P137 VanDerWaalsContact O-CD 3.23Å; L135-P137 WeakPolarHBondContact O-CD 3.33Å
138N36.7Very low44.4Very low156 Ų156141.5 Ų141.583%0.83476%0.757SS**  trans78.596.1154-51.3-10.9000117.3
139W32.5Very low43Very low270 Ų270140.4 Ų140.4100%1.02377%0.768SS**  trans-93.2114.6154.5-154.838000107.2
140S43.3Very low41.8Very low109 Ų109141.2 Ų141.276%0.76278%0.782SS**  trans-132.3118.6173.360.10000109.9
141G38.3Very low41Very low78 Ų78145.6 Ų145.680%0.80481%0.808SS**  trans71.191139.900000119.7
142N38.5Very low40.3Very low157 Ų157140.5 Ų140.584%0.8481%0.805SS**  trans-23.4176.3137.1-136.825.4000116.6
143P44.8Very low39.7Very low85 Ų85143.1 Ų143.155%0.55281%0.809SS**  -133-172.4-53.732.3-12.7000113.3
144R36.4Very low39.1Very low224 Ų224141.8 Ų141.885%0.84580%0.802SS**  trans83.6111.9157.8-59.8170.3-179.9-157.5-0.8117.3
145F35.8Very low38.9Very low215 Ų215143.5 Ų143.594%0.94380%0.803SS**  177.9135.6119.3-120.1-97.1000113.1
146G35.6Very low38.6Very low77 Ų77141.6 Ų141.679%0.79480%0.799SS**  trans75.6126.1156.600000117.2
147G35Very low38.5Very low67 Ų67133.8 Ų133.869%0.69179%0.791SS**  cis129.3132.91600000109.3
148M38.4Very low38.5Very low200 Ų200136.4 Ų136.499%0.98581%0.805SS**  trans83.5116.9178-58.3139.870.600115
149G34.1Very low38.4Very low69 Ų69132.7 Ų132.771%0.71180%0.804SS**  cis115.4110.410.800000110.9
150S41.5Very low38.4Very low113 Ų113129.7 Ų129.779%0.7980%0.801SS**  trans173.4129136.6-82.30000115.2
151T40Very low38Very low136 Ų136128.3 Ų128.383%0.83480%0.804SS**  trans65.6135.2141.661.30000119.4
152S40.1Very low37.9Very low101 Ų101132.5 Ų132.571%0.70681%0.806SS**  cis-167.2130.413.353.70000109.3
153M42Very low37.9Very low168 Ų168130.1 Ų130.183%0.82880%0.802SS**  64.4113.3103.6-64.4-65.2-179.400114.4
154L38.3Very low37.3Very low153 Ų153133 Ų13380%0.80181%0.813SS**  155159.377.9-94.7150.9000105.7
155N40.8Very low37.3Very low134 Ų134130.9 Ų130.972%0.71781%0.812SS**  cis-162.9170.8-6.4-164.917.2000107.8
156T37.3Very low37.6Very low125 Ų125127.9 Ų127.977%0.76781%0.805SS**  trans-82.6167.3-168.7510000116.6
157G37.9Very low37.6Very low70 Ų70130.1 Ų130.172%0.72281%0.808SS**  trans159.576.3164.900000113.6
158V40.5Very low37.8Very low158 Ų158132 Ų13296%0.95881%0.81SS**  68.1117.8101.5-177.70000115.2
159G35.5Very low37.9Very low78 Ų78127.9 Ų127.980%0.80480%0.801SS**  trans168.3109.7163.400000113.9
160Q33.1Very low38.7Very low206 Ų206131.9 Ų131.996%0.96381%0.805SS**  trans-72.8151-175.8-69160.8-44.800114
161G34.4Very low39.3Very low80 Ų80131.5 Ų131.583%0.82580%0.8SS**  trans-178.9118.4164.800000111.7
162I35.4Very low40.1Very low167 Ų167130.6 Ų130.686%0.85680%0.796SS**  trans-109.7128.2-164.6-41.3161.1000107.6
163S38.7Very low40.9Very low106 Ų106131.6 Ų131.674%0.74180%0.801SS**  trans162.5113.4141.4530000113.1
164D32.4Very low41.6Very low147 Ų147126.6 Ų126.679%0.78679%0.786SS**  trans35111.9134.2-58.1-25.8000119.7
165Q37.1Very low42.4Very low179 Ų179122.7 Ų122.784%0.83677%0.77SS**  165.5140.7119.7-90177.163.900110.6
166L41.9Very low43.3Very low152 Ų152121.1 Ų121.180%0.79678%0.775SS**  trans72.970.6166.5-55.5157.5000115.9C168L166-C168 PolarHBondContact O-N 3.25Å
167S35.8Very low44.4Very low123 Ų123122.6 Ų122.686%0.8677%0.773SS**  trans-69.984.9157.458.90000109.3S169S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 VanDerWaalsContact O-N 3.07Å
168C38.1Very low45.5Very low107 Ų107123.6 Ų123.672%0.72376%0.761SS**  trans-56.6108.3158.6-850000107.5L166 L170L166-C168 PolarHBondContact O-N 3.25Å; C168-L170 PolarHBondContact O-N 2.88Å
169S42Very low46.8Very low114 Ų114124.9 Ų124.980%0.79776%0.757SS**  trans-64.898.8170.7530000108.3S167S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 VanDerWaalsContact O-N 3.07Å
170L49.8Very low48.5Very low153 Ų153126.9 Ų126.980%0.80175%0.749SS**PPolyproline II helixtrans-57129.9167.9-95.579.1000108.2C168C168-L170 PolarHBondContact O-N 2.88Å
171P53.6Low50.4Low104 Ų104122.7 Ų122.768%0.67574%0.739SS**PPolyproline II helixtrans-60.6145.6166.526.7-31.2000108.4
172P56.6Low52.2Low117 Ų117126.8 Ų126.876%0.7674%0.741SS**PPolyproline II helixtrans-55134.7176.923.3-32.3000108.9A174P172-A174 PolarHBondContact O-N 3.26Å
173P58.3Low53.5Low123 Ų123126.1 Ų126.180%0.79974%0.738SS**PPolyproline II helixtrans-54131.8176.320.4-29.8000108.4
174A56.1Low55.2Low62 Ų62124.2 Ų124.251%0.51272%0.723SS.*PPolyproline II helixtrans-48.8138.5176.300000108.8P172 A176P172-A174 PolarHBondContact O-N 3.26Å; A174-A176 PolarHBondContact O-N 3.4Å; A174-A176 VanDerWaalsContact O-N 3.13Å
175P55.9Low56.8Low72 Ų72122.9 Ų122.947%0.46871%0.712SS.*PPolyproline II helixtrans-46.9126.2-179.8-27.932.7000110.8H177 L178P175-H177 WeakPolarHBondContact CB-CE1 3.46Å; P175-H177 WeakPolarHBondContact CB-ND1 3.45Å; P175-H177 PolarHBondContact O-N 3.38Å; P175-L178 PolarHBondContact O-N 3.32Å
176A58.1Low58.1Low101 Ų101119.2 Ų119.284%0.83570%0.704SS**G310 helixtrans-52.4-18-168.900000115.2A174 L178A174-A176 PolarHBondContact O-N 3.4Å; A174-A176 VanDerWaalsContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.35Å
177H61.9Low59.2Low155 Ų155118.7 Ų118.772%0.71870%0.697SS**G310 helixtrans-74.4-11.817755.8-99.2000114.6P175P175-H177 WeakPolarHBondContact CB-CE1 3.46Å; P175-H177 WeakPolarHBondContact CB-ND1 3.45Å; P175-H177 PolarHBondContact O-N 3.38Å
178L61Low60.6Low91 Ų91117.3 Ų117.348%0.47668%0.683SS.*G310 helixtrans-81.9-11.5-177.7-80.8165.8000114.1P175 A176 L180P175-L178 PolarHBondContact O-N 3.32Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.09Å; L178-L180 HydrophobicContact CB-CG 4.08Å; L178-L180 WeakPolarHBondContact O-CG 3.3Å; L178-L180 PolarHBondContact O-N 3.11Å
179Q66.9Low61.6Low186 Ų186118.1 Ų118.187%0.86968%0.675SS**  trans39.835.8178.6-81.3-178.6-26.600113.3
180L70.7Confident62.5Low119 Ų119120.1 Ų120.162%0.62368%0.676SS**PPolyproline II helixtrans-79.3137.7175.9-67.3170.2000107.3L178L178-L180 HydrophobicContact CB-CD1 4.09Å; L178-L180 HydrophobicContact CB-CG 4.08Å; L178-L180 WeakPolarHBondContact O-CG 3.3Å; L178-L180 PolarHBondContact O-N 3.11Å
181P72.8Confident62.8Low118 Ų118119.7 Ų119.777%0.76668%0.675SS**PPolyproline II helixtrans-55147.3170.924.8-32.7000109.1L183P181-L183 PolarHBondContact O-N 2.83Å
182I72.1Confident63.3Low167 Ų167120.4 Ų120.486%0.85668%0.677SS**PPolyproline II helixtrans-58.6135.7177.9-154.4157.4000108.8
183L63.5Low63.5Low152 Ų152124.4 Ų124.480%0.79668%0.677SS**PPolyproline II helixtrans-57.5138.1174.8-83.8160000108.5P181 E185P181-L183 PolarHBondContact O-N 2.83Å; L183-E185 PolarHBondContact O-N 2.74Å
184P74.4Confident63.6Low66 Ų66124.4 Ų124.443%0.42967%0.674SS.*PPolyproline II helixtrans-54.9140.8175.6-17.527.5000109.6T188 F189P184-T188 HydrophobicContact CB-CG2 4.25Å; P184-F189 HydrophobicContact CB-CE2 3.97Å; P184-F189 HydrophobicContact CB-CZ 4.39Å; P184-F189 HydrophobicContact CG-CE2 4.06Å; P184-F189 HydrophobicContact CG-CZ 4.07Å
185E66.5Low64.2Low119 Ų119129.9 Ų129.956%0.55669%0.687SS**PPolyproline II helixtrans-49.5137.6174.3-78.7-89.9174.600110.5L183 H187 T188L183-E185 PolarHBondContact O-N 2.74Å; E185-H187 WeakPolarHBondContact CB-CE1 3.45Å; E185-H187 VanDerWaalsContact CB-NE2 3.26Å; E185-H187 WeakPolarHBondContact CB-NE2 3.24Å; E185-H187 VanDerWaalsContact CD-CE1 3.44Å; E185-H187 PolarHBondContact O-N 3.16Å; E185-H187 IonicContact OE2-CE1 3.6Å; E185-H187 PolarHBondContact OE2-CE1 3.15Å; E185-H187 IonicContact OE2-ND1 2.91Å; E185-H187 IonicContact OE2-NE2 3.71Å; E185-T188 WeakPolarHBondContact O-CB 3.21Å; E185-T188 PolarHBondContact O-N 2.79Å; E185-T188 PolarHBondContact O-OG1 3.31Å
186P63.9Low64.9Low103 Ų103137.7 Ų137.767%0.66971%0.707SS**G310 helixtrans-57.6-24.7-171.517.2-28.7000114T188 F189P186-T188 PolarHBondContact O-N 2.67Å; P186-F189 PolarHBondContact O-N 3.25Å
187H64.8Low65.5Low141 Ų141137 Ų13765%0.65370%0.701SS**G310 helixtrans-69.9-11.5174.641.2-97.3000114.5E185 F189E185-H187 WeakPolarHBondContact CB-CE1 3.45Å; E185-H187 VanDerWaalsContact CB-NE2 3.26Å; E185-H187 WeakPolarHBondContact CB-NE2 3.24Å; E185-H187 VanDerWaalsContact CD-CE1 3.44Å; E185-H187 PolarHBondContact O-N 3.16Å; E185-H187 IonicContact OE2-CE1 3.6Å; E185-H187 PolarHBondContact OE2-CE1 3.15Å; E185-H187 IonicContact OE2-ND1 2.91Å; E185-H187 IonicContact OE2-NE2 3.71Å; H187-F189 PolarHBondContact O-N 2.72Å
188T65.7Low65.7Low93 Ų93134.8 Ų134.857%0.57170%0.7SS**G310 helixtrans-68.4-26.8170.5-47.80000111.4P184 E185 P186 L190P184-T188 HydrophobicContact CB-CG2 4.25Å; E185-T188 WeakPolarHBondContact O-CB 3.21Å; E185-T188 PolarHBondContact O-N 2.79Å; E185-T188 PolarHBondContact O-OG1 3.31Å; P186-T188 PolarHBondContact O-N 2.67Å; T188-L190 PolarHBondContact O-N 3Å
189F59.4Low66.2Low124 Ų124136.7 Ų136.754%0.54471%0.71SS.*  trans-100.978.4179.1-59.1-78.2000110.2P184 P186 H187 N191P184-F189 HydrophobicContact CB-CE2 3.97Å; P184-F189 HydrophobicContact CB-CZ 4.39Å; P184-F189 HydrophobicContact CG-CE2 4.06Å; P184-F189 HydrophobicContact CG-CZ 4.07Å; P186-F189 PolarHBondContact O-N 3.25Å; H187-F189 PolarHBondContact O-N 2.72Å; F189-N191 PolarHBondContact O-N 2.83Å
190L60.4Low66.4Low157 Ų157129 Ų12982%0.82268%0.678SS**  trans-68.982.2162.7-87162000108.9T188 T192T188-L190 PolarHBondContact O-N 3Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.01Å
191N56Low66.6Low144 Ų144128.3 Ų128.377%0.7768%0.683SS**  trans-69.488.4170.6-82.5-18.4000109F189 R193F189-N191 PolarHBondContact O-N 2.83Å; N191-R193 PolarHBondContact O-N 3.11Å; N191-R193 VanDerWaalsContact O-N 3.08Å
192T63.9Low67.2Low118 Ų118127.2 Ų127.272%0.72467%0.671SS**  trans-67104.5164.139.40000108.2L190 V194L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.01Å; T192-V194 VanDerWaalsContact C-N 3.27Å; T192-V194 PolarHBondContact O-N 2.94Å
193R60.4Low67.7Low201 Ų201123.3 Ų123.376%0.75866%0.657SS**  trans-66.189171.8-72.3-168.5-174.7-149.24.6108.9N191 K195N191-R193 PolarHBondContact O-N 3.11Å; N191-R193 VanDerWaalsContact O-N 3.08Å; R193-K195 PolarHBondContact O-N 3.24Å; R193-K195 VanDerWaalsContact O-N 3.1Å
194V61.2Low68.8Low123 Ų123120 Ų12075%0.74565%0.646SS**  trans-76.693.1169.5-177.30000108T192 R196T192-V194 VanDerWaalsContact C-N 3.27Å; T192-V194 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-N 3.19Å
195K69Low69.4Low177 Ų177118.8 Ų118.877%0.7764%0.639SS**  trans-77.3111.9166.9-67.3-173.9179.6-178.20107.7R193R193-K195 PolarHBondContact O-N 3.24Å; R193-K195 VanDerWaalsContact O-N 3.1Å
196R69.2Low70.2Confident236 Ų236117.2 Ų117.289%0.89163%0.634SS**PPolyproline II helixtrans-59.4140166.5-73-172.1-174.5119.90.4108.4V194V194-R196 PolarHBondContact O-N 3.19Å
197A72Confident71.4Confident86 Ų86120.6 Ų120.671%0.71163%0.633SS**PPolyproline II helixtrans-54.8137.1172.400000109.5I199A197-I199 PolarHBondContact O-N 3.07Å
198P66.1Low72.6Confident109 Ų109122.7 Ų122.771%0.70864%0.636SS**PPolyproline II helixtrans-59.8135.7-178.523.8-32.3000110.2A200P198-A200 PolarHBondContact O-N 3.41Å
199I70.6Confident73.7Confident131 Ų131124.7 Ų124.767%0.67263%0.633SS**SBendtrans-58.5-24.3-173.1-65.9164.5000112.2A197 R209A197-I199 PolarHBondContact O-N 3.07Å; I199-R209 PolarHBondContact O-NH1 3.38Å
200A71.4Confident75.1Confident25 Ų25121.7 Ų121.721%0.20762%0.624CS.*  trans-153.4151.1168.200000110.7P198 S205P198-A200 PolarHBondContact O-N 3.41Å; A200-S205 WeakPolarHBondContact CB-OG 3.45Å
201S75.3Confident76.6Confident105 Ų105119 Ų11973%0.73461%0.614SS**SBendtrans-70.9-37.4179.765.10000112.5
202D84.4Confident78.5Confident95 Ų95116.7 Ų116.751%0.50860%0.599SS.*SBendtrans-108.3130.9-166.9-61.9-1.4000110.7S204 S205 L206D202-S204 PolarHBondContact O-N 2.72Å; D202-S204 VanDerWaalsContact O-N 3.14Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 2.61Å; D202-S205 PolarHBondContact O-OG 3.03Å; D202-L206 PolarHBondContact O-N 3.19Å
203P84.4Confident79.9Confident85 Ų85117.2 Ų117.255%0.55259%0.593SS**Hα-helixtrans-60-30.1-178.924.2-34.2000112.9S205 L206 R207P203-S205 VanDerWaalsContact C-N 3.32Å; P203-S205 PolarHBondContact O-N 2.98Å; P203-L206 PolarHBondContact O-N 3.24Å; P203-R207 WeakPolarHBondContact O-CG 3.22Å; P203-R207 PolarHBondContact O-N 3.29Å; P203-R207 VanDerWaalsContact O-N 3.08Å
204S86.1Confident81.5Confident83 Ų83115.2 Ų115.258%0.5859%0.586SS**Hα-helixtrans-62.4-38.2175.3-58.30000112.5D202 R208D202-S204 PolarHBondContact O-N 2.72Å; D202-S204 VanDerWaalsContact O-N 3.14Å; S204-R208 PolarHBondContact O-N 2.87Å
205S86.2Confident83.1Confident40 Ų40116.8 Ų116.828%0.2858%0.578SS.*Hα-helixtrans-72.1-35.4178.771.90000112.1A200 D202 P203 R208 R209A200-S205 WeakPolarHBondContact CB-OG 3.45Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 2.61Å; D202-S205 PolarHBondContact O-OG 3.03Å; P203-S205 VanDerWaalsContact C-N 3.32Å; P203-S205 PolarHBondContact O-N 2.98Å; S205-R208 PolarHBondContact O-N 3.27Å; S205-R209 WeakPolarHBondContact O-CG 3.5Å; S205-R209 PolarHBondContact O-N 2.86Å
206L84.2Confident84.4Confident85 Ų85114.9 Ų114.945%0.44557%0.57SS.*Hα-helixtrans-62.6-47.9173.1-177.165.7000111D202 P203 R208 R209 V210D202-L206 PolarHBondContact O-N 3.19Å; P203-L206 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 2.85Å; L206-R209 PolarHBondContact O-N 2.9Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.37Å
207R88.9Confident85.8Confident174 Ų174107.6 Ų107.666%0.65755%0.551SS**Hα-helixtrans-58.8-44.6176-69.3179.3-167.5146.31.8111.7P203 R209 V210 V211P203-R207 WeakPolarHBondContact O-CG 3.22Å; P203-R207 PolarHBondContact O-N 3.29Å; P203-R207 VanDerWaalsContact O-N 3.08Å; R207-R209 PolarHBondContact O-N 3.49Å; R207-V210 PolarHBondContact O-N 2.91Å; R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.07Å
208R90.5Very high86.8Confident186 Ų186109.4 Ų109.470%0.70255%0.545SS*.Hα-helixtrans-58.3-47.5176.1-174179.3-73.1178.3-3.2111.3S204 S205 L206 V210 V211 E212S204-R208 PolarHBondContact O-N 2.87Å; S205-R208 PolarHBondContact O-N 3.27Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 2.85Å; R208-V210 PolarHBondContact O-N 2.86Å; R208-V211 PolarHBondContact O-N 3.32Å; R208-E212 WeakPolarHBondContact O-CB 3.03Å; R208-E212 PolarHBondContact O-N 3.03Å
209R89Confident88.1Confident135 Ų135107 Ų10751%0.50952%0.524SS..Hα-helixtrans-60.9-42.3178.2-74.3-176.3-175.2175.18113I199 S205 L206 R207 E212 Q213I199-R209 PolarHBondContact O-NH1 3.38Å; S205-R209 WeakPolarHBondContact O-CG 3.5Å; S205-R209 PolarHBondContact O-N 2.86Å; L206-R209 PolarHBondContact O-N 2.9Å; R207-R209 PolarHBondContact O-N 3.49Å; R209-E212 PolarHBondContact O-N 3.49Å; R209-Q213 WeakPolarHBondContact O-CB 3.02Å; R209-Q213 PolarHBondContact O-N 2.87Å
210V89Confident89.2Confident61 Ų61103.8 Ų103.837%0.3751%0.513SS..Hα-helixtrans-63-43.5177.3172.20000110.9L206 R207 R208 Q213 R214L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.37Å; R207-V210 PolarHBondContact O-N 2.91Å; R208-V210 PolarHBondContact O-N 2.86Å; V210-Q213 PolarHBondContact O-N 3.22Å; V210-R214 WeakPolarHBondContact O-CG 3.33Å; V210-R214 PolarHBondContact O-N 2.95Å
211V91.9Very high90.3Very high100 Ų100106.9 Ų106.961%0.60653%0.526SS*.Hα-helixtrans-65.3-44176.9173.50000111.1R207 R208 Q213 R214 R215R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.07Å; R208-V211 PolarHBondContact O-N 3.32Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-Q213 PolarHBondContact O-N 3.48Å; V211-R214 PolarHBondContact O-N 2.71Å; V211-R215 PolarHBondContact O-N 3.46Å
212E94Very high91Very high95 Ų95104.9 Ų104.944%0.44451%0.507SS..Hα-helixtrans-59.4-42.9176.1-154.582.8-141.200111.5R208 R209 R215 K216R208-E212 WeakPolarHBondContact O-CB 3.03Å; R208-E212 PolarHBondContact O-N 3.03Å; R209-E212 PolarHBondContact O-N 3.49Å; E212-R215 PolarHBondContact O-N 3.16Å; E212-K216 WeakPolarHBondContact O-CG 3.26Å; E212-K216 PolarHBondContact O-N 3.36Å
213Q95Very high91.3Very high129 Ų129106.6 Ų106.660%0.60351%0.506SS*.Hα-helixtrans-63.9-46.2176.7-176.1178.7-3.100111.1R209 V210 V211 R215 K216 V217R209-Q213 WeakPolarHBondContact O-CB 3.02Å; R209-Q213 PolarHBondContact O-N 2.87Å; V210-Q213 PolarHBondContact O-N 3.22Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-Q213 PolarHBondContact O-N 3.48Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 3.15Å; Q213-K216 PolarHBondContact O-N 3.32Å; Q213-V217 VanDerWaalsContact O-CG2 3.31Å; Q213-V217 WeakPolarHBondContact O-CG2 3.5Å; Q213-V217 PolarHBondContact O-N 2.96Å
214R93.5Very high91.7Very high160 Ų160108.4 Ų108.460%0.60451%0.505SS*.Hα-helixtrans-59.3-42.8175.5-76.2-176.8175-171.8-2.6111.8V210 V211 V217 Q218V210-R214 WeakPolarHBondContact O-CG 3.33Å; V210-R214 PolarHBondContact O-N 2.95Å; V211-R214 PolarHBondContact O-N 2.71Å; R214-V217 PolarHBondContact O-N 3.3Å; R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 PolarHBondContact O-N 3.28Å
215R95.2Very high91.9Very high155 Ų155106.5 Ų106.559%0.58549%0.489SS*.Hα-helixtrans-60-48.5175-178.2-178.9177.5144.62.8111.7V211 E212 Q213 V217 Q218 E219V211-R215 PolarHBondContact O-N 3.46Å; E212-R215 PolarHBondContact O-N 3.16Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 3.15Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 3Å; R215-Q218 PolarHBondContact O-N 2.98Å; R215-E219 HydrophobicContact CG-CG 4.44Å; R215-E219 IonicContact CZ-OE1 3.76Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.21Å; R215-E219 IonicContact NH2-OE1 2.76Å; R215-E219 WeakPolarHBondContact O-CG 3.06Å; R215-E219 PolarHBondContact O-N 3.25Å
216K96.7Very high92Very high137 Ų137105.4 Ų105.460%0.59648%0.483SS*.Hα-helixtrans-60.3-42.6177.8-74.7179-179-176.30112.3E212 Q213 S220E212-K216 WeakPolarHBondContact O-CG 3.26Å; E212-K216 PolarHBondContact O-N 3.36Å; Q213-K216 PolarHBondContact O-N 3.32Å; K216-S220 VanDerWaalsContact O-CB 3.31Å; K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 PolarHBondContact O-OG 3.49Å
217V96.9Very high92.2Very high84 Ų84111 Ų11151%0.50950%0.498SS..Hα-helixtrans-61.2-49.5175.8170.80000110.2Q213 R214 R215 E219 S220 L221Q213-V217 VanDerWaalsContact O-CG2 3.31Å; Q213-V217 WeakPolarHBondContact O-CG2 3.5Å; Q213-V217 PolarHBondContact O-N 2.96Å; R214-V217 PolarHBondContact O-N 3.3Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 3Å; V217-E219 PolarHBondContact O-N 3.39Å; V217-S220 PolarHBondContact O-N 3.1Å; V217-S220 PolarHBondContact O-OG 2.76Å; V217-L221 WeakPolarHBondContact O-CB 3.21Å; V217-L221 PolarHBondContact O-N 3Å
218Q93.7Very high92.3Very high123 Ų123107.3 Ų107.358%0.57550%0.495SS*.Hα-helixtrans-59.1-48.6178.1179.9-179.2-21.100112R214 R215 S220 L221 I222R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 PolarHBondContact O-N 3.28Å; R215-Q218 PolarHBondContact O-N 2.98Å; Q218-S220 VanDerWaalsContact C-N 3.32Å; Q218-S220 PolarHBondContact O-N 3.03Å; Q218-L221 PolarHBondContact O-N 3.49Å; Q218-I222 HydrophobicContact CG-CD1 3.84Å; Q218-I222 VanDerWaalsContact O-CG1 3.29Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.45Å
219E93.2Very high92.2Very high58 Ų58102.2 Ų102.227%0.27148%0.479SS..Hα-helixtrans-61.6-40.7177.5-72.4-179.5-166.500111.9R215 V217 L221 I222 R223R215-E219 HydrophobicContact CG-CG 4.44Å; R215-E219 IonicContact CZ-OE1 3.76Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.21Å; R215-E219 IonicContact NH2-OE1 2.76Å; R215-E219 WeakPolarHBondContact O-CG 3.06Å; R215-E219 PolarHBondContact O-N 3.25Å; V217-E219 PolarHBondContact O-N 3.39Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-I222 PolarHBondContact O-N 3.24Å; E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 VanDerWaalsContact O-CG 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.48Å; E219-R223 IonicContact OE2-CZ 3.76Å; E219-R223 IonicContact OE2-NH1 3.8Å; E219-R223 IonicContact OE2-NH2 2.87Å; E219-R223 PolarHBondContact OE2-NH2 2.92Å
220S94.5Very high92.1Very high64 Ų64100.6 Ų100.645%0.44849%0.486SS..Hα-helixtrans-63.9-40.2176.174.60000112.1K216 V217 Q218 R223 F224K216-S220 VanDerWaalsContact O-CB 3.31Å; K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 PolarHBondContact O-OG 3.49Å; V217-S220 PolarHBondContact O-N 3.1Å; V217-S220 PolarHBondContact O-OG 2.76Å; Q218-S220 VanDerWaalsContact C-N 3.32Å; Q218-S220 PolarHBondContact O-N 3.03Å; S220-R223 PolarHBondContact O-N 2.88Å; S220-F224 WeakPolarHBondContact O-CB 3.29Å; S220-F224 PolarHBondContact O-N 3.39Å
221L93.6Very high92.1Very high91 Ų9199.3 Ų99.348%0.47648%0.479SS..Hα-helixtrans-67-44.2178178.962.5000111.2V217 Q218 E219 F224 L225V217-L221 WeakPolarHBondContact O-CB 3.21Å; V217-L221 PolarHBondContact O-N 3Å; Q218-L221 PolarHBondContact O-N 3.49Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-F224 PolarHBondContact O-N 3.14Å; L221-L225 HydrophobicContact CD1-CD1 4.12Å; L221-L225 HydrophobicContact CD1-CG 4.09Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.35Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 3.25Å
222I90.4Very high91.9Very high63 Ų63100.3 Ų100.332%0.32348%0.477SS..Hα-helixtrans-60.7-47.2176.2-68.1166.1000110.2Q218 E219 F224 L225 G226Q218-I222 HydrophobicContact CG-CD1 3.84Å; Q218-I222 VanDerWaalsContact O-CG1 3.29Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.45Å; E219-I222 PolarHBondContact O-N 3.24Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 PolarHBondContact O-N 2.63Å; I222-L225 PolarHBondContact O-N 3.38Å; I222-G226 PolarHBondContact O-N 3.4Å
223R89.6Confident91.7Very high131 Ų131100.7 Ų100.749%0.49448%0.475SS..Hα-helixtrans-63.5-30.7176.4-70.3-178-159.1108.64.1112.9E219 S220 R227E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 VanDerWaalsContact O-CG 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.48Å; E219-R223 IonicContact OE2-CZ 3.76Å; E219-R223 IonicContact OE2-NH1 3.8Å; E219-R223 IonicContact OE2-NH2 2.87Å; E219-R223 PolarHBondContact OE2-NH2 2.92Å; S220-R223 PolarHBondContact O-N 2.88Å; R223-R227 PolarHBondContact O-NH1 3.06Å
224F93.2Very high91.4Very high122 Ų12298.7 Ų98.754%0.53547%0.467SS..Hα-helixtrans-73.4-52.6175.6171.7-100.6000111.3S220 L221 I222 G226 R227 V228S220-F224 WeakPolarHBondContact O-CB 3.29Å; S220-F224 PolarHBondContact O-N 3.39Å; L221-F224 PolarHBondContact O-N 3.14Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 PolarHBondContact O-N 2.63Å; F224-G226 PolarHBondContact O-N 2.98Å; F224-R227 WeakPolarHBondContact O-CB 3.43Å; F224-R227 PolarHBondContact O-N 3.31Å; F224-V228 HydrophobicContact CE1-CG2 4.07Å; F224-V228 HydrophobicContact CE2-CG2 4.04Å; F224-V228 HydrophobicContact CZ-CG2 3.78Å; F224-V228 PolarHBondContact O-N 2.81Å
225L91.2Very high91.2Very high44 Ų4496.5 Ų96.523%0.2346%0.463CS..Hα-helixtrans-58.1-37178.8-73.1174.5000111.4L221 I222 R227 V228 Q229 I245L221-L225 HydrophobicContact CD1-CD1 4.12Å; L221-L225 HydrophobicContact CD1-CG 4.09Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.35Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 3.25Å; I222-L225 PolarHBondContact O-N 3.38Å; L225-R227 PolarHBondContact O-N 3.13Å; L225-V228 PolarHBondContact O-N 3.14Å; L225-Q229 PolarHBondContact O-N 3.4Å; L225-I245 HydrophobicContact CB-CD1 3.79Å; L225-I245 HydrophobicContact CD1-CD1 3.89Å
226G88.8Confident90.7Very high16 Ų1695.1 Ų95.117%0.16547%0.473CS..Hα-helixtrans-66.1-15176.500000115.8I222 F224 V231I222-G226 PolarHBondContact O-N 3.4Å; F224-G226 PolarHBondContact O-N 2.98Å; G226-V231 VanDerWaalsContact CA-CG2 3.42Å
227R88.1Confident90.1Very high203 Ų20392.9 Ų92.977%0.76649%0.489SS*.Hα-helixtrans-88.9-23.3170.2-68.6-174.8176.998.7-6.6113.3R223 F224 L225R223-R227 PolarHBondContact O-NH1 3.06Å; F224-R227 WeakPolarHBondContact O-CB 3.43Å; F224-R227 PolarHBondContact O-N 3.31Å; L225-R227 PolarHBondContact O-N 3.13Å
228V91.3Very high89.6Confident96 Ų9692.4 Ų92.458%0.58248%0.484SS*.Hα-helixtrans-99-35-172.3179.20000111.7F224 L225F224-V228 HydrophobicContact CE1-CG2 4.07Å; F224-V228 HydrophobicContact CE2-CG2 4.04Å; F224-V228 HydrophobicContact CZ-CG2 3.78Å; F224-V228 PolarHBondContact O-N 2.81Å; L225-V228 PolarHBondContact O-N 3.14Å
229Q86.9Confident88.8Confident79 Ų7990.9 Ų90.937%0.36949%0.492SS..SBendtrans-109.8156.3-174-68.2-176.2-9.600111.7L225 V231L225-Q229 PolarHBondContact O-N 3.4Å; Q229-V231 PolarHBondContact O-N 2.91Å
230P87.9Confident88.4Confident102 Ų10296.9 Ų96.966%0.66252%0.52SS*.  trans-64.8120.6171.527.1-33.8000110.8T246P230-T246 PolarHBondContact O-OG1 2.93Å
231V87.8Confident88.1Confident34 Ų3494.2 Ų94.221%0.20650%0.502CS..EExtended strand (participates in β ladder)trans-108.1141179.8176.30000110.1G226 Q229 M243 L244G226-V231 VanDerWaalsContact CA-CG2 3.42Å; Q229-V231 PolarHBondContact O-N 2.91Å; V231-M243 HydrophobicContact CB-CE 4.33Å; V231-M243 HydrophobicContact CG1-CB 3.63Å; V231-M243 HydrophobicContact CG1-CE 3.9Å; V231-M243 HydrophobicContact CG1-CG 4.01Å; V231-M243 HydrophobicContact CG2-CE 3.9Å; V231-L244 WeakPolarHBondContact CA-O 3.28Å; V231-L244 WeakPolarHBondContact CG1-O 3.44Å
232Q87.5Confident87.8Confident121 Ų12197 Ų9757%0.56551%0.511SS*.EExtended strand (participates in β ladder)trans-106.3137167.8-62.2-179.616.200109L244Q232-L244 PolarHBondContact N-O 2.98Å; Q232-L244 WeakPolarHBondContact O-CA 3.28Å; Q232-L244 VanDerWaalsContact O-CB 3.25Å; Q232-L244 WeakPolarHBondContact O-CB 3.4Å; Q232-L244 PolarHBondContact O-N 3.41Å
233Y90.3Very high87.7Confident103 Ų10397.2 Ų97.240%0.40451%0.511SS..EExtended strand (participates in β ladder)trans-88.9137.5177-76.4-80.8000109.6F235 S241 M243Y233-F235 PolarHBondContact O-N 3.43Å; Y233-S241 VanDerWaalsContact CB-OG 3.3Å; Y233-S241 WeakPolarHBondContact CB-OG 3.46Å; Y233-S241 VanDerWaalsContact CD1-OG 3.29Å; Y233-S241 WeakPolarHBondContact CD1-OG 3.5Å; Y233-M243 HydrophobicContact CD1-CG 4.17Å; Y233-M243 HydrophobicContact CE1-CG 3.61Å
234L89.1Confident87.7Confident86 Ų8695 Ų9545%0.4551%0.508SS..SBendtrans-56.9-36.9178.5-175.170.4000111.6F242 L244L234-F242 HydrophobicContact CB-CB 4.14Å; L234-F242 HydrophobicContact CD2-CB 4.41Å; L234-F242 HydrophobicContact CD2-CD2 3.94Å; L234-F242 PolarHBondContact N-O 3.48Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å
235F90.1Very high87.3Confident115 Ų11592.1 Ų92.150%0.50450%0.498SS..SBendtrans-114.6105.3173.6-58.4-63.7000109Y233 G237 D238 S241Y233-F235 PolarHBondContact O-N 3.43Å; F235-G237 PolarHBondContact O-N 2.92Å; F235-D238 HydrophobicContact CB-CB 4.15Å; F235-D238 PolarHBondContact O-N 2.89Å; F235-S241 PolarHBondContact O-OG 2.95Å
236P84.1Confident87Confident125 Ų12592.4 Ų92.481%0.81250%0.502SS*.THydrogen-bonded Turntrans-56.7125.3179.1-24.233.1000111.2
237G83Confident86.7Confident90 Ų9097 Ų9793%0.92853%0.529SS*.THydrogen-bonded Turntrans93.3-6.3178.500000115.6F235F235-G237 PolarHBondContact O-N 2.92Å
238D87.3Confident86.4Confident74 Ų7496.6 Ų96.640%0.39653%0.533SS..  trans-101.9114.5174.3-177.911.2000110.9F235 E240 S241F235-D238 HydrophobicContact CB-CB 4.15Å; F235-D238 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact OD1-N 3.19Å; D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.39Å
239A77.8Confident86.1Confident91 Ų91101.1 Ų101.175%0.75255%0.547SS*.THydrogen-bonded Turntrans-71.2-17.7-178.700000113.3
240E84.5Confident85.9Confident184 Ų184100.1 Ų100.186%0.8655%0.549SS*.THydrogen-bonded Turntrans-93.2-1.6176.3-60.7-167163.900112.7D238D238-E240 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact OD1-N 3.19Å
241S86.6Confident85.9Confident9 Ų9101.6 Ų101.66%0.06356%0.559CS.*SBendtrans-74.1159.9-17771.90000113.2Y233 F235 D238 M243Y233-S241 VanDerWaalsContact CB-OG 3.3Å; Y233-S241 WeakPolarHBondContact CB-OG 3.46Å; Y233-S241 VanDerWaalsContact CD1-OG 3.29Å; Y233-S241 WeakPolarHBondContact CD1-OG 3.5Å; F235-S241 PolarHBondContact O-OG 2.95Å; D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.39Å; S241-M243 PolarHBondContact O-N 2.9Å
242F88Confident85.8Confident149 Ų149107.2 Ų107.265%0.65458%0.576SS**PPolyproline II helixtrans-64.2121.2-177-62.2-80.6000111.8L234L234-F242 HydrophobicContact CB-CB 4.14Å; L234-F242 HydrophobicContact CD2-CB 4.41Å; L234-F242 HydrophobicContact CD2-CD2 3.94Å; L234-F242 PolarHBondContact N-O 3.48Å
243M88.7Confident85.6Confident67 Ų67105.4 Ų105.433%0.3358%0.575SS.*EExtended strand (participates in β ladder)trans-72.1122.5176.1-66.7175.57100111.2V231 Y233 S241V231-M243 HydrophobicContact CB-CE 4.33Å; V231-M243 HydrophobicContact CG1-CB 3.63Å; V231-M243 HydrophobicContact CG1-CE 3.9Å; V231-M243 HydrophobicContact CG1-CG 4.01Å; V231-M243 HydrophobicContact CG2-CE 3.9Å; Y233-M243 HydrophobicContact CD1-CG 4.17Å; Y233-M243 HydrophobicContact CE1-CG 3.61Å; S241-M243 PolarHBondContact O-N 2.9Å
244L88.6Confident85.5Confident84 Ų84106.9 Ų106.944%0.4458%0.58SS.*EExtended strand (participates in β ladder)trans-105.7120.5174.2-54.5176.3000109.7V231 Q232 L234 T246V231-L244 WeakPolarHBondContact CA-O 3.28Å; V231-L244 WeakPolarHBondContact CG1-O 3.44Å; Q232-L244 PolarHBondContact N-O 2.98Å; Q232-L244 WeakPolarHBondContact O-CA 3.28Å; Q232-L244 VanDerWaalsContact O-CB 3.25Å; Q232-L244 WeakPolarHBondContact O-CB 3.4Å; Q232-L244 PolarHBondContact O-N 3.41Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å; L244-T246 PolarHBondContact O-N 3.44Å
245I86.2Confident85.2Confident62 Ų62106 Ų10632%0.31858%0.576SS.*EExtended strand (participates in β ladder)trans-80121.3176.5-61.8170.3000108.2L225L225-I245 HydrophobicContact CB-CD1 3.79Å; L225-I245 HydrophobicContact CD1-CD1 3.89Å
246T84Confident84.8Confident51 Ų51104.1 Ų104.131%0.31358%0.577SS.*PPolyproline II helixtrans-71.4126.7178.4-48.10000109.3P230 L244 K248P230-T246 PolarHBondContact O-OG1 2.93Å; L244-T246 PolarHBondContact O-N 3.44Å; T246-K248 PolarHBondContact O-N 3.29Å
247P82.7Confident84.7Confident112 Ų112101.5 Ų101.573%0.72757%0.566SS**PPolyproline II helixtrans-63.5139.2178.726.7-33.7000110.4E249P247-E249 PolarHBondContact O-N 2.86Å
248K82.5Confident84.7Confident195 Ų195102.6 Ų102.685%0.84855%0.55SS*.PPolyproline II helixtrans-70.4127.3172.8-173.5177.3178.8179.60109.2T246 S250T246-K248 PolarHBondContact O-N 3.29Å; K248-S250 PolarHBondContact O-N 3.27Å
249E84.1Confident84.3Confident191 Ų191104.4 Ų104.489%0.89356%0.559SS**PPolyproline II helixtrans-61.4128.2172.9-63.4-178.8-17600109.6P247P247-E249 PolarHBondContact O-N 2.86Å
250S83.7Confident84Confident58 Ų58102.4 Ų102.441%0.40654%0.542SS..  trans-129.9141.9176.370.50000109.4K248 R252K248-S250 PolarHBondContact O-N 3.27Å; S250-R252 PolarHBondContact O-N 3.22Å; S250-R252 VanDerWaalsContact O-N 3.16Å
251P87.6Confident82.9Confident133 Ų13397.2 Ų97.286%0.86453%0.526SS*.SBendtrans-69.6-10.6-178.728.1-35.2000113.2
252R85.5Confident81.4Confident152 Ų152101.3 Ų101.357%0.57455%0.551SS**  trans-136.169.4-178.1-61-174.1-178.2168.2-0.8111.3S250 Y254 L255S250-R252 PolarHBondContact O-N 3.22Å; S250-R252 VanDerWaalsContact O-N 3.16Å; R252-Y254 VanDerWaalsContact C-N 3.26Å; R252-Y254 HydrophobicContact CB-CE1 4.06Å; R252-Y254 HydrophobicContact CG-CE1 4.33Å; R252-Y254 PolarHBondContact O-N 3.02Å; R252-L255 HydrophobicContact CB-CB 4.37Å; R252-L255 HydrophobicContact CB-CD1 3.91Å; R252-L255 HydrophobicContact CB-CG 4.08Å; R252-L255 VanDerWaalsContact CD-CD1 3.49Å; R252-L255 HydrophobicContact CG-CD1 4.34Å; R252-L255 PolarHBondContact O-N 3.34Å
253P84.2Confident79.9Confident82 Ų8298.1 Ų98.153%0.53254%0.544SS..Hα-helixtrans-66.1-26.8-175.427.3-35.3000113.4L255 S256 A257P253-L255 VanDerWaalsContact C-N 3.31Å; P253-L255 PolarHBondContact O-N 2.96Å; P253-S256 PolarHBondContact O-OG 2.8Å; P253-A257 PolarHBondContact O-N 3.15Å
254Y86.4Confident78.2Confident134 Ų134100.2 Ų100.253%0.52556%0.556SS.*Hα-helixtrans-66.9-32.2177.261-89.8000112.2R252 L258R252-Y254 VanDerWaalsContact C-N 3.26Å; R252-Y254 HydrophobicContact CB-CE1 4.06Å; R252-Y254 HydrophobicContact CG-CE1 4.33Å; R252-Y254 PolarHBondContact O-N 3.02Å; Y254-L258 HydrophobicContact CD2-CD1 4.46Å; Y254-L258 WeakPolarHBondContact O-CB 3.38Å; Y254-L258 WeakPolarHBondContact O-CG 3.49Å; Y254-L258 PolarHBondContact O-N 3.43Å
255L83.3Confident76.4Confident68 Ų68102 Ų10236%0.35657%0.566SS.*Hα-helixtrans-67.9-45.1179.9-70.7-175.8000111.6R252 P253 A257 L258 L259R252-L255 HydrophobicContact CB-CB 4.37Å; R252-L255 HydrophobicContact CB-CD1 3.91Å; R252-L255 HydrophobicContact CB-CG 4.08Å; R252-L255 VanDerWaalsContact CD-CD1 3.49Å; R252-L255 HydrophobicContact CG-CD1 4.34Å; R252-L255 PolarHBondContact O-N 3.34Å; P253-L255 VanDerWaalsContact C-N 3.31Å; P253-L255 PolarHBondContact O-N 2.96Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.22Å; L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.43Å
256S81.8Confident74.5Confident76 Ų76102.8 Ų102.853%0.53158%0.576SS.*Hα-helixtrans-63.1-38.3179.558.40000112P253 A260P253-S256 PolarHBondContact O-OG 2.8Å; S256-A260 PolarHBondContact O-N 3.04Å
257A82.3Confident72.9Confident69 Ų69106.2 Ų106.257%0.5759%0.593SS**Hα-helixtrans-68.3-39.7176.600000113P253 L255P253-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å
258L83.6Confident71.3Confident114 Ų114108.1 Ų108.160%0.59759%0.594SS**Hα-helixtrans-70.3-40.2177.5-71.1171000111.8Y254 L255 A260 S261Y254-L258 HydrophobicContact CD2-CD1 4.46Å; Y254-L258 WeakPolarHBondContact O-CB 3.38Å; Y254-L258 WeakPolarHBondContact O-CG 3.49Å; Y254-L258 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.22Å; L258-A260 VanDerWaalsContact C-N 3.26Å; L258-A260 PolarHBondContact O-N 3.23Å; L258-S261 PolarHBondContact O-N 3.04Å; L258-S261 PolarHBondContact O-OG 3.42Å
259L79Confident69.5Low111 Ų111107.4 Ų107.458%0.58159%0.591SS**Hα-helixtrans-66.2-26.6177.9-71174000112.9L255 S261 V262 T263L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.43Å; L259-S261 PolarHBondContact O-N 3.41Å; L259-S261 VanDerWaalsContact O-N 3.11Å; L259-V262 PolarHBondContact O-N 2.99Å; L259-T263 PolarHBondContact O-OG1 3.21Å
260A70.8Confident67.5Low49 Ų49106.3 Ų106.341%0.40559%0.587SS.*Hα-helixtrans-60.2-20.9176.800000113.4S256 L258 N264S256-A260 PolarHBondContact O-N 3.04Å; L258-A260 VanDerWaalsContact C-N 3.26Å; L258-A260 PolarHBondContact O-N 3.23Å; A260-N264 PolarHBondContact O-ND2 3.5Å; A260-N264 VanDerWaalsContact O-ND2 3.1Å
261S62.1Low65.3Low75 Ų75107.8 Ų107.852%0.52460%0.598SS.*Hα-helixtrans-73.9-32.6174.366.20000113L258 L259L258-S261 PolarHBondContact O-N 3.04Å; L258-S261 PolarHBondContact O-OG 3.42Å; L259-S261 PolarHBondContact O-N 3.41Å; L259-S261 VanDerWaalsContact O-N 3.11Å
262V55.1Low63.1Low96 Ų96109.9 Ų109.958%0.58260%0.599SS**Hα-helixtrans-76-32.1-173.5-1760000111.6L259L259-V262 PolarHBondContact O-N 2.99Å
263T56.6Low60.7Low82 Ų82108.2 Ų108.250%0.50361%0.61SS.*Hα-helixtrans-79.2-22.5-178280000114.3L259 C266L259-T263 PolarHBondContact O-OG1 3.21Å; T263-C266 VanDerWaalsContact C-SG 3.54Å; T263-C266 PolarHBondContact O-SG 3.35Å
264N52.6Low58.5Low110 Ų110111 Ų11159%0.58862%0.62SS**Hα-helixtrans-77.7-22.9-178.2-70.8-29.1000113.2A260A260-N264 PolarHBondContact O-ND2 3.5Å; A260-N264 VanDerWaalsContact O-ND2 3.1Å
265D50Low56.1Low121 Ų121111 Ų11165%0.64763%0.629SS**Hα-helixtrans-78.7-23-178.7-72.4-29.4000113.1
266C47.8Very low54Low79 Ų79118 Ų11853%0.53466%0.657SS.*Hα-helixtrans-76.7-27.6178.423.40000114T263T263-C266 VanDerWaalsContact C-SG 3.54Å; T263-C266 PolarHBondContact O-SG 3.35Å
267D48.5Very low51.8Low124 Ų124120.4 Ų120.466%0.66366%0.664SS**Hα-helixtrans-86.6-16.7-176.5-78.8-20.1000114.1K269D267-K269 VanDerWaalsContact C-N 3.35Å
268M50.1Low49.4Very low151 Ų151125.7 Ų125.774%0.74468%0.677SS**THydrogen-bonded Turntrans-80.8-11.3180-101.7-79.1150.500114.2
269K44.5Very low47.3Very low180 Ų180128.6 Ų128.678%0.78369%0.688SS**SBendtrans-103-4.7-178.1-70.3-178179.8173.90114.8D267 S271D267-K269 VanDerWaalsContact C-N 3.35Å; K269-S271 PolarHBondContact O-N 3.07Å
270M41.6Very low45.1Very low168 Ų168129.9 Ų129.983%0.82870%0.695SS**SBendtrans-98.326.6-170.3-15466.1102.500115.2
271S37.5Very low43.3Very low90 Ų90134.9 Ų134.963%0.62971%0.714SS**SBendtrans-149.8121.4168.1630000109.4K269K269-S271 PolarHBondContact O-N 3.07Å
272M41.4Very low42Very low177 Ų177136.6 Ų136.687%0.87272%0.721SS**  trans129.1-0.9165.3-65.3-55.5-73.500116.2D274M272-D274 PolarHBondContact O-N 3.14Å
273S35.8Very low40.8Very low116 Ų116141.2 Ų141.281%0.81173%0.733SS**  trans-92.373.7170.452.90000111.7
274D37.8Very low39.8Very low141 Ų141142.7 Ų142.775%0.75475%0.747SS**  trans-111.1107161.9-110.9-28.9000108.5M272M272-D274 PolarHBondContact O-N 3.14Å
275N35.8Very low38.8Very low134 Ų134146.8 Ų146.872%0.71776%0.759SS**  trans5095.2150.1-54-45.8000118.8
276K39.9Very low38.1Very low214 Ų214146 Ų14693%0.9376%0.763SS**  trans-118.2106.2146.5-79.3-173.6177.7178.10108.8
277D35.9Very low37.2Very low127 Ų127149 Ų14968%0.67977%0.774SS**  trans-60.7152.7169.2-67.9-41.4000111.2
278E31.7Very low36.5Very low181 Ų181148.8 Ų148.885%0.84678%0.777SS**  trans-44.8145.3-178.6-61.3171.7114.900115.7
279Q40Very low35.5Very low175 Ų175150.6 Ų150.682%0.81878%0.781SS**  -178131.6117.9-97.3171.438.500112.2
280N31.8Very low34.9Very low138 Ų138146.9 Ų146.974%0.73877%0.773SS**  trans84.6111.6148.4-61.5-29.3000120.9
281L33.2Very low34.2Very low154 Ų154145.6 Ų145.681%0.80677%0.77SS**  11787118.3-142.868.3000117.4
282V34.2Very low33.9Very low111 Ų111146 Ų14667%0.67377%0.772SS**  56.3128.2119.5-179.80000120
283K29.9Very low33.3Very low193 Ų193142.8 Ų142.884%0.83977%0.768SS**  trans72.8127.5155.7-88.9170.6-178.6172.10115.1
284S35.9Very low33Very low112 Ų112142.3 Ų142.378%0.78377%0.765SS**  cis-161.5158.640.6-67.70000111.9
285K31.1Very low32.7Very low196 Ų196143.3 Ų143.385%0.85277%0.77SS**  trans-54168.1175.8-71.4167.1166.5174.30115.8
286S34.8Very low32.6Very low104 Ų104146.7 Ų146.773%0.72778%0.781SS**  trans86142.8148.386.60000113.7
287N30.4Very low32.1Very low143 Ų143141.6 Ų141.677%0.76577%0.773SS**  cis-179.6160.4-2.8-118.50.7000105.2
288V33.9Very low32.5Very low120 Ų120141.2 Ų141.273%0.72778%0.777SS**  trans74.7109.5143.1174.80000116.5
289F29.3Very low32.9Very low188 Ų188139.8 Ų139.883%0.82577%0.77SS**  64.1120.283.2-112.2-111.3000115.1
290V31.5Very low33.4Very low103 Ų103138.4 Ų138.462%0.62477%0.774SS**  trans81.8118.5132.5162.20000121.2
291N26.5Very low34.8Very low140 Ų140138.5 Ų138.575%0.74977%0.768SS**  trans71146.3136.9-74.20.5000123.1
292S31.2Very low36.5Very low98 Ų98134.8 Ų134.869%0.68575%0.749SS**  trans90.3100.9146.6-58.50000117
293S28.3Very low38.2Very low110 Ų110133.9 Ų133.977%0.76975%0.745SS**  54.5131.7117-50.90000119.6
294S29.1Very low39.8Very low107 Ų107133.5 Ų133.575%0.74874%0.744SS**  trans67.597166.263.30000116.3
295N32.6Very low41.6Very low162 Ų162135 Ų13587%0.86674%0.743SS**  -162.9126.3126-92-27.8000110.6S297N295-S297 PolarHBondContact O-N 3.13Å
296Q33.3Very low43.7Very low204 Ų204131 Ų13195%0.95373%0.73SS**  trans-59.1126.1176.6-67.5168.7-5.100110
297S30.5Very low45.6Very low108 Ų108135.3 Ų135.376%0.75574%0.736SS**  trans-146.5151.516561.80000108.2N295N295-S297 PolarHBondContact O-N 3.13Å
298P42.6Very low47.5Very low118 Ų118133.3 Ų133.377%0.76673%0.73SS**  trans-77.8149-132.930.6-35.3000113.5T300P298-T300 PolarHBondContact O-N 3.36Å
299E41.1Very low49.4Very low151 Ų151137.4 Ų137.471%0.70674%0.738SS**  trans-43.9101.2177-64.1-178.4150.500112.9K301E299-K301 HydrophobicContact CB-CG 4.49Å; E299-K301 PolarHBondContact O-N 3.43Å; E299-K301 IonicContact OE1-NZ 3.4Å; E299-K301 WeakPolarHBondContact OE2-CE 3.49Å; E299-K301 IonicContact OE2-NZ 2.87Å; E299-K301 PolarHBondContact OE2-NZ 3.02Å
300T50.9Low51.4Low147 Ų147136.6 Ų136.690%0.90274%0.735SS**  trans-70.178.4160.436.90000108.9P298P298-T300 PolarHBondContact O-N 3.36Å
301K60.4Low53Low140 Ų140137.5 Ų137.561%0.60974%0.743SS**  trans-69.7129169.7-89.5168.7173.61470109.5E299E299-K301 HydrophobicContact CB-CG 4.49Å; E299-K301 PolarHBondContact O-N 3.43Å; E299-K301 IonicContact OE1-NZ 3.4Å; E299-K301 WeakPolarHBondContact OE2-CE 3.49Å; E299-K301 IonicContact OE2-NZ 2.87Å; E299-K301 PolarHBondContact OE2-NZ 3.02Å
302N69.3Low55.1Low76 Ų76139.8 Ų139.841%0.40675%0.749SS.*  trans-52.2119-179.6-177.9-11.1000111F304 L305N302-F304 PolarHBondContact O-N 2.93Å; N302-F304 VanDerWaalsContact O-N 3.11Å; N302-F304 WeakPolarHBondContact OD1-CB 3.41Å; N302-F304 VanDerWaalsContact OD1-CD2 3.27Å; N302-F304 WeakPolarHBondContact OD1-CD2 3.46Å; N302-F304 PolarHBondContact OD1-N 3.19Å; N302-F304 VanDerWaalsContact OD1-N 3.08Å; N302-L305 HydrophobicContact CB-CD1 4.09Å; N302-L305 HydrophobicContact CB-CG 4.17Å; N302-L305 PolarHBondContact O-N 3.08Å
303P70.5Confident56.3Low92 Ų92149.9 Ų149.960%0.59777%0.774SS**G310 helixtrans-62.9-20.9-176.225.2-34.4000113.3L305 L306P303-L305 VanDerWaalsContact C-N 3.29Å; P303-L305 PolarHBondContact O-N 3.08Å; P303-L306 PolarHBondContact O-N 2.69Å
304F62.6Low57.7Low184 Ų184151.9 Ų151.981%0.80777%0.774SS**G310 helixtrans-78.4-10.8177.3-59.8-69.8000113.9N302N302-F304 PolarHBondContact O-N 2.93Å; N302-F304 VanDerWaalsContact O-N 3.11Å; N302-F304 WeakPolarHBondContact OD1-CB 3.41Å; N302-F304 VanDerWaalsContact OD1-CD2 3.27Å; N302-F304 WeakPolarHBondContact OD1-CD2 3.46Å; N302-F304 PolarHBondContact OD1-N 3.19Å; N302-F304 VanDerWaalsContact OD1-N 3.08Å
305L74.2Confident59.2Low144 Ų144154.3 Ų154.375%0.75478%0.776SS**G310 helixtrans-97.5-0.1174.4-62.5179.4000112.7N302 P303N302-L305 HydrophobicContact CB-CD1 4.09Å; N302-L305 HydrophobicContact CB-CG 4.17Å; N302-L305 PolarHBondContact O-N 3.08Å; P303-L305 VanDerWaalsContact C-N 3.29Å; P303-L305 PolarHBondContact O-N 3.08Å
306L74.6Confident60.7Low113 Ų113153.8 Ų153.859%0.59277%0.771SS**SBendtrans-79.6136.5173.2-64175.1000109.6P303P303-L306 PolarHBondContact O-N 2.69Å
307K75.3Confident62.3Low194 Ų194150.9 Ų150.984%0.84376%0.76SS**PPolyproline II helixtrans-59134.3172.9-67.5-176.7179.3-179.20109.1K309K307-K309 PolarHBondContact O-N 3.37Å
308P70.1Confident64.3Low100 Ų100153.6 Ų153.665%0.64976%0.76SS**PPolyproline II helixtrans-60.2129.3174.623.2-30.6000109.7F310P308-F310 HydrophobicContact CB-CE2 4.49Å; P308-F310 HydrophobicContact CG-CE2 4.24Å
309K74.4Confident65.7Low206 Ų206155.9 Ų155.990%0.89676%0.76SS**PPolyproline II helixtrans-84.8116.6170.8-73.7-172.6175.8-174.90108.5K307K307-K309 PolarHBondContact O-N 3.37Å
310F70Confident67.5Low172 Ų172156.3 Ų156.375%0.75476%0.764SS**PPolyproline II helixtrans-86.2142.9167.8-66.7-81.5000109.3P308 E312P308-F310 HydrophobicContact CB-CE2 4.49Å; P308-F310 HydrophobicContact CG-CE2 4.24Å; F310-E312 PolarHBondContact O-N 3.21Å
311P66.5Low68.7Low121 Ų121157 Ų15779%0.78675%0.753SS**PPolyproline II helixtrans-60.9130.3168.4-15.128.2000109.8
312E68.8Low69.4Low188 Ų188158.4 Ų158.488%0.87977%0.765SS**PPolyproline II helixtrans-67.8141.4162.9-67175.4-179.900108.1F310F310-E312 PolarHBondContact O-N 3.21Å
313Y57.1Low69.5Low311 Ų311165.9 Ų165.9100%1.2280%0.798SS**  trans-47.80-170.2-78-88.8000115.5

Retrieved 313 of 313 residues in 70 ms (Link to these results)