A0A075B7E9_HUMAN Loading...

SLIT-ROBO Rho GTPase activating protein 2

AlphaFold DB , UniProt , Accession A0A075B7E9, Species HUMAN (Homo sapiens, Human), Gene SRGAP2, Length 294 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
1E52.9Low88.4Confident240 Ų24090.8 Ų90.8100%1.12246%0.459SS*.  0155.20-68.3140.1142.700107.7
2C64.4Low89.2Confident120 Ų12089.7 Ų89.781%0.81146%0.455SS*.PPolyproline II helixtrans-76.6134.7170-77.60000108.7
3E84.8Confident90Very high171 Ų17184.1 Ų84.180%0.79943%0.425SS*.PPolyproline II helixtrans-66.3140.1172.6-66.7-170.515500109.9
4P88.3Confident90.6Very high65 Ų6585.7 Ų85.742%0.42244%0.441SS..PPolyproline II helixtrans-76.6134.2-178.133.2-36.1000110.7L30 L31 Y32P4-L30 HydrophobicContact CB-CD1 3.64Å; P4-L30 HydrophobicContact CB-CD2 4.03Å; P4-L30 HydrophobicContact CB-CG 3.71Å; P4-L30 HydrophobicContact CG-CD1 3.95Å; P4-L30 HydrophobicContact CG-CD2 4.25Å; P4-L30 HydrophobicContact CG-CG 4.32Å; P4-L31 CarbonylContact C-O 3.49Å; P4-L31 VanDerWaalsContact CA-O 3.3Å; P4-L31 WeakPolarHBondContact CA-O 3.26Å; P4-Y32 HydrophobicContact CB-CD1 3.84Å; P4-Y32 HydrophobicContact CB-CE1 3.91Å
5I94.8Very high91.1Very high65 Ų6581.3 Ų81.333%0.33342%0.424SS..EExtended strand (participates in β ladder)trans-89.9129.9-173.6-57.2168.3000109.4L31 W40 V58I5-L31 HydrophobicContact CB-CB 4.29Å; I5-L31 PolarHBondContact N-O 3.36Å; I5-L31 PolarHBondContact O-N 3.18Å; I5-W40 HydrophobicContact CD1-CH2 3.92Å; I5-W40 HydrophobicContact CD1-CZ3 4.1Å; I5-V58 HydrophobicContact CG2-CG1 3.46Å; I5-V58 VanDerWaalsContact CG2-CG1 3.46Å
6E96.3Very high91.5Very high108 Ų10889.3 Ų89.351%0.50545%0.447SS..EExtended strand (participates in β ladder)trans-77144.6174.7-65.6-160.8167.100112.3L30 Q59E6-L30 HydrophobicContact CG-CD1 4.44Å; E6-Q59 HydrophobicContact CB-CB 4.35Å; E6-Q59 PolarHBondContact O-N 2.77Å; E6-Q59 PolarHBondContact OE2-NE2 3.16Å
7A97.6Very high91.9Very high1 Ų188.2 Ų88.21%0.00845%0.447CS..EExtended strand (participates in β ladder)trans-146.5153.1174.900000112L29 L31 I56 V57A7-L29 HydrophobicContact CB-CB 4.43Å; A7-L29 PolarHBondContact N-O 3.15Å; A7-L29 PolarHBondContact O-N 3.25Å; A7-L31 HydrophobicContact CB-CD1 3.76Å; A7-L31 HydrophobicContact CB-CD2 4.25Å; A7-L31 HydrophobicContact CB-CG 3.94Å; A7-I56 HydrophobicContact CB-CB 4.41Å; A7-I56 HydrophobicContact CB-CD1 4.15Å; A7-V57 CarbonylContact C-O 3.36Å; A7-V57 WeakPolarHBondContact CA-O 3.48Å; A7-V57 WeakPolarHBondContact CB-O 3.39Å
8I98.1Very high92.1Very high47 Ų4789.8 Ų89.824%0.24148%0.476CS..EExtended strand (participates in β ladder)trans-113.1132.7175.2-55.7-59.5000109.8K10 I56 V57 Q59I8-K10 PolarHBondContact O-N 3.34Å; I8-I56 CarbonylContact O-C 3.55Å; I8-I56 WeakPolarHBondContact O-CA 3.5Å; I8-V57 PolarHBondContact N-O 2.96Å; I8-V57 PolarHBondContact O-N 3.49Å; I8-Q59 HydrophobicContact CG1-CG 4.14Å
9A98.4Very high92.4Very high2 Ų295.6 Ų95.62%0.01749%0.49CS..EExtended strand (participates in β ladder)trans-66119.5171.100000111.4F23 K24 G26 A27 L29A9-F23 HydrophobicContact CB-CD2 3.38Å; A9-F23 HydrophobicContact CB-CE2 3.62Å; A9-F23 HydrophobicContact CB-CG 4.42Å; A9-K24 VanDerWaalsContact CB-O 3.24Å; A9-K24 WeakPolarHBondContact CB-O 3.3Å; A9-G26 PolarHBondContact O-N 2.81Å; A9-A27 HydrophobicContact CB-CB 4.28Å; A9-A27 PolarHBondContact N-O 3.38Å; A9-L29 HydrophobicContact CB-CD1 4.12Å
10K98.3Very high92.7Very high71 Ų7192.3 Ų92.331%0.30947%0.473SS..SBendtrans-86.1-18.3178.180.3-152.5177.5-157.20113.5I8 K25 Q54 Y55 I56 V57I8-K10 PolarHBondContact O-N 3.34Å; K10-K25 VanDerWaalsContact O-CD 3.24Å; K10-K25 WeakPolarHBondContact O-CD 3.49Å; K10-K25 VanDerWaalsContact O-CE 3.27Å; K10-K25 WeakPolarHBondContact O-CE 3.44Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; K10-Q54 WeakPolarHBondContact CE-O 3.02Å; K10-Q54 PolarHBondContact NZ-O 3.1Å; K10-Y55 WeakPolarHBondContact CG-O 3.37Å; K10-Y55 PolarHBondContact N-O 2.89Å; K10-I56 PolarHBondContact NZ-O 3.32Å; K10-I56 VanDerWaalsContact NZ-O 3.16Å; K10-V57 HydrophobicContact CB-CG2 4.2Å; K10-V57 HydrophobicContact CD-CG2 3.94Å
11F98.4Very high93Very high109 Ų10988.4 Ų88.448%0.47845%0.453SS..SBendtrans-137161.7174.8-51.9-55.6000110.6Y55F11-Y55 HydrophobicContact CB-CD1 3.82Å; F11-Y55 HydrophobicContact CB-CE1 4.17Å; F11-Y55 HydrophobicContact CD2-CD1 4.2Å; F11-Y55 HydrophobicContact CD2-CE1 4.46Å
12D98.6Very high95.2Very high77 Ų7780 Ų8041%0.41242%0.42SS..  trans-63.4142164-81.217.3000110.2K24 K25 Y55D12-K24 HydrophobicContact CB-CD 4.44Å; D12-K24 VanDerWaalsContact CG-CD 3.42Å; D12-K24 WeakPolarHBondContact OD1-CA 3.28Å; D12-K24 WeakPolarHBondContact OD1-CD 3.39Å; D12-K24 WeakPolarHBondContact OD2-CD 3.3Å; D12-K24 WeakPolarHBondContact OD2-CE 3.44Å; D12-K24 IonicContact OD2-NZ 2.75Å; D12-K24 PolarHBondContact OD2-NZ 3.4Å; D12-K25 PolarHBondContact OD1-N 2.91Å; D12-Y55 WeakPolarHBondContact O-CE1 3.44Å
13Y98.6Very high96.8Very high17 Ų1774.6 Ų74.67%0.06738%0.383CS..BIsolated β-bridgetrans-138.6135.9173.1-172.3-106.1000111.4E20 L21 S22 F23 W39 P52 Y55Y13-E20 HydrophobicContact CE1-CB 4.46Å; Y13-E20 PolarHBondContact OH-OE2 2.86Å; Y13-L21 VanDerWaalsContact CD1-O 3.27Å; Y13-L21 WeakPolarHBondContact CD1-O 3.33Å; Y13-S22 WeakPolarHBondContact O-CA 3.26Å; Y13-F23 AromaticContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CZ 4.09Å; Y13-F23 HydrophobicContact CG-CE1 4.32Å; Y13-F23 HydrophobicContact CG-CE2 4.49Å; Y13-F23 HydrophobicContact CG-CZ 4.05Å; Y13-F23 PolarHBondContact N-O 2.99Å; Y13-F23 PolarHBondContact O-N 3.39Å; Y13-W39 WeakPolarHBondContact OH-CH2 3.43Å; Y13-P52 HydrophobicContact CD1-CG 3.8Å; Y13-P52 HydrophobicContact CD2-CG 3.87Å; Y13-P52 HydrophobicContact CE1-CG 3.68Å; Y13-P52 HydrophobicContact CE2-CG 3.75Å; Y13-P52 HydrophobicContact CG-CG 3.89Å; Y13-Y55 AromaticContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD2 4.2Å; Y13-Y55 AromaticContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE2 4.17Å; Y13-Y55 AromaticContact CD2-CG 4Å; Y13-Y55 HydrophobicContact CD2-CG 4Å; Y13-Y55 AromaticContact CD2-CZ 3.93Å; Y13-Y55 HydrophobicContact CE2-CE2 4.37Å; Y13-Y55 HydrophobicContact CG-CD1 4.17Å; Y13-Y55 HydrophobicContact CG-CG 4.43Å
14V98.5Very high97.4Very high107 Ų10772.7 Ų72.765%0.64837%0.372SS*.  trans-117.1117.2174.6-178.60000107.1R16V14-R16 PolarHBondContact O-N 2.86Å
15G97.9Very high97.9Very high19 Ų1976.6 Ų76.620%0.19638%0.383CS..  trans-60.9132.8178.700000111.1S22G15-S22 PolarHBondContact N-OG 2.79Å
16R98.1Very high98.1Very high209 Ų20975.8 Ų75.879%0.78939%0.391SS*.SBendtrans-89.6-20.9-177.6-57.4176.8178.3174-0.2112.2V14 E20V14-R16 PolarHBondContact O-N 2.86Å; R16-E20 WeakPolarHBondContact CB-OE2 3.42Å; R16-E20 PolarHBondContact N-OE2 3.01Å
17T97.8Very high98.2Very high72 Ų7271.5 Ų71.544%0.44237%0.373SS..SBendtrans-126.8161.3174.769.10000110.8R19 E20T17-R19 PolarHBondContact O-N 3.17Å; T17-E20 VanDerWaalsContact CB-OE1 3.32Å; T17-E20 WeakPolarHBondContact CB-OE1 3.28Å; T17-E20 VanDerWaalsContact CG2-OE1 3.23Å; T17-E20 WeakPolarHBondContact CG2-OE1 3.41Å; T17-E20 PolarHBondContact N-OE1 2.78Å; T17-E20 PolarHBondContact O-N 2.96Å; T17-E20 WeakPolarHBondContact OG1-CG 3.32Å; T17-E20 PolarHBondContact OG1-OE1 3.01Å
18A96.6Very high98.2Very high117 Ų11775.5 Ų75.597%0.96740%0.402SS*.THydrogen-bonded Turntrans-63.9-5.5176.500000114.5
19R97.7Very high98.2Very high199 Ų19973.5 Ų73.575%0.75139%0.391SS*.THydrogen-bonded Turntrans-94.6-11.9173.5-67.5179.8177.4-110.60.3112.9T17 G49 L50T17-R19 PolarHBondContact O-N 3.17Å; R19-G49 CarbonylContact O-C 3.58Å; R19-G49 WeakPolarHBondContact O-CA 3.5Å; R19-L50 HydrophobicContact CB-CD1 4.38Å; R19-L50 WeakPolarHBondContact O-CB 3.32Å; R19-L50 PolarHBondContact O-N 3.34Å
20E98.3Very high98.1Very high29 Ų2976 Ų7614%0.13640%0.404CS..BIsolated β-bridgetrans-98.9130.8-175.8-68.9158.8-128.400110.6Y13 R16 T17 W39 L50Y13-E20 HydrophobicContact CE1-CB 4.46Å; Y13-E20 PolarHBondContact OH-OE2 2.86Å; R16-E20 WeakPolarHBondContact CB-OE2 3.42Å; R16-E20 PolarHBondContact N-OE2 3.01Å; T17-E20 VanDerWaalsContact CB-OE1 3.32Å; T17-E20 WeakPolarHBondContact CB-OE1 3.28Å; T17-E20 VanDerWaalsContact CG2-OE1 3.23Å; T17-E20 WeakPolarHBondContact CG2-OE1 3.41Å; T17-E20 PolarHBondContact N-OE1 2.78Å; T17-E20 PolarHBondContact O-N 2.96Å; T17-E20 WeakPolarHBondContact OG1-CG 3.32Å; T17-E20 PolarHBondContact OG1-OE1 3.01Å; E20-W39 HydrophobicContact CG-CH2 3.74Å; E20-W39 HydrophobicContact CG-CZ3 3.75Å; E20-L50 HydrophobicContact CG-CB 4.41Å
21L98.4Very high98.1Very high12 Ų1272.6 Ų72.66%0.06339%0.389CS..PPolyproline II helixtrans-77.1140.7178.1-64.7-179.7000110.8Y13 F23 H44 I47 L50 I51Y13-L21 VanDerWaalsContact CD1-O 3.27Å; Y13-L21 WeakPolarHBondContact CD1-O 3.33Å; L21-F23 HydrophobicContact CB-CD1 4.45Å; L21-H44 HydrophobicContact CD1-CB 3.97Å; L21-I47 WeakPolarHBondContact CD1-O 3.36Å; L21-I47 HydrophobicContact CD2-CB 4.12Å; L21-I47 HydrophobicContact CD2-CG2 3.77Å; L21-L50 PolarHBondContact N-O 3.29Å; L21-I51 HydrophobicContact CB-CG1 4.37Å; L21-I51 HydrophobicContact CD1-CD1 4.02Å; L21-I51 HydrophobicContact CD1-CG1 3.83Å; L21-I51 HydrophobicContact CG-CG1 4.47Å
22S98.5Very high98Very high62 Ų6271.1 Ų71.143%0.43438%0.381SS..PPolyproline II helixtrans-99.9136.2170.2-59.80000110.1Y13 G15 H44Y13-S22 WeakPolarHBondContact O-CA 3.26Å; G15-S22 PolarHBondContact N-OG 2.79Å; S22-H44 PolarHBondContact O-CE1 3.48Å; S22-H44 PolarHBondContact O-ND1 2.9Å
23F98.6Very high97.8Very high7 Ų772.8 Ų72.83%0.03139%0.386CS..BIsolated β-bridgetrans-153.2163-176.951.6-99.3000112.1A9 Y13 L21 A27 L29 I51 P52 I56A9-F23 HydrophobicContact CB-CD2 3.38Å; A9-F23 HydrophobicContact CB-CE2 3.62Å; A9-F23 HydrophobicContact CB-CG 4.42Å; Y13-F23 AromaticContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CZ 4.09Å; Y13-F23 HydrophobicContact CG-CE1 4.32Å; Y13-F23 HydrophobicContact CG-CE2 4.49Å; Y13-F23 HydrophobicContact CG-CZ 4.05Å; Y13-F23 PolarHBondContact N-O 2.99Å; Y13-F23 PolarHBondContact O-N 3.39Å; L21-F23 HydrophobicContact CB-CD1 4.45Å; F23-A27 HydrophobicContact CB-CB 4.17Å; F23-L29 HydrophobicContact CB-CD2 4.15Å; F23-L29 HydrophobicContact CD1-CD1 4.21Å; F23-L29 HydrophobicContact CD1-CD2 4.11Å; F23-L29 HydrophobicContact CD2-CD1 4.21Å; F23-L29 HydrophobicContact CE1-CD1 4.19Å; F23-L29 HydrophobicContact CE2-CD1 4.17Å; F23-L29 HydrophobicContact CG-CD1 4.22Å; F23-L29 HydrophobicContact CG-CD2 4.14Å; F23-L29 HydrophobicContact CZ-CD1 4.16Å; F23-I51 HydrophobicContact CE1-CG2 3.92Å; F23-I51 HydrophobicContact CZ-CG2 4.11Å; F23-P52 HydrophobicContact CZ-CG 4.34Å; F23-I56 HydrophobicContact CE2-CG2 4.44Å; F23-I56 HydrophobicContact CZ-CG2 4.2Å
24K98.6Very high97.7Very high131 Ų13176.8 Ų76.857%0.5740%0.401SS*.  trans-103.1154.4178.2-69.2-57.8-165.6-179.30111A9 D12 G26 A27A9-K24 VanDerWaalsContact CB-O 3.24Å; A9-K24 WeakPolarHBondContact CB-O 3.3Å; D12-K24 HydrophobicContact CB-CD 4.44Å; D12-K24 VanDerWaalsContact CG-CD 3.42Å; D12-K24 WeakPolarHBondContact OD1-CA 3.28Å; D12-K24 WeakPolarHBondContact OD1-CD 3.39Å; D12-K24 WeakPolarHBondContact OD2-CD 3.3Å; D12-K24 WeakPolarHBondContact OD2-CE 3.44Å; D12-K24 IonicContact OD2-NZ 2.75Å; D12-K24 PolarHBondContact OD2-NZ 3.4Å; K24-G26 PolarHBondContact O-N 3.43Å; K24-A27 WeakPolarHBondContact O-CB 3.4Å; K24-A27 PolarHBondContact O-N 2.88Å
25K98.4Very high97.6Very high147 Ų14774.2 Ų74.264%0.63939%0.391SS*.THydrogen-bonded Turntrans-52.8134169.7178.7174.7-178.1-178.30109.8K10 D12 A27K10-K25 VanDerWaalsContact O-CD 3.24Å; K10-K25 WeakPolarHBondContact O-CD 3.49Å; K10-K25 VanDerWaalsContact O-CE 3.27Å; K10-K25 WeakPolarHBondContact O-CE 3.44Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; D12-K25 PolarHBondContact OD1-N 2.91Å; K25-A27 VanDerWaalsContact C-N 3.3Å
26G98.3Very high97.6Very high49 Ų4975.8 Ų75.851%0.50540%0.399SS..THydrogen-bonded Turntrans82.9-2.9-175.100000114.6A9 K24 S28A9-G26 PolarHBondContact O-N 2.81Å; K24-G26 PolarHBondContact O-N 3.43Å; G26-S28 PolarHBondContact O-N 2.84Å
27A98.3Very high97.5Very high17 Ų1772.4 Ų72.414%0.1440%0.397CS..  trans-65.8132.9172.900000111A9 F23 K24 K25A9-A27 HydrophobicContact CB-CB 4.28Å; A9-A27 PolarHBondContact N-O 3.38Å; F23-A27 HydrophobicContact CB-CB 4.17Å; K24-A27 WeakPolarHBondContact O-CB 3.4Å; K24-A27 PolarHBondContact O-N 2.88Å; K25-A27 VanDerWaalsContact C-N 3.3Å
28S97.9Very high97.5Very high86 Ų8672.7 Ų72.760%0.60140%0.396SS*.EExtended strand (participates in β ladder)trans-75.1132.8167.6-54.20000110.1G26G26-S28 PolarHBondContact O-N 2.84Å
29L97.9Very high97.6Very high5 Ų570.3 Ų70.33%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-129144.2-175.5-60.6172.3000108.3A7 A9 F23 H44 I51 I56A7-L29 HydrophobicContact CB-CB 4.43Å; A7-L29 PolarHBondContact N-O 3.15Å; A7-L29 PolarHBondContact O-N 3.25Å; A9-L29 HydrophobicContact CB-CD1 4.12Å; F23-L29 HydrophobicContact CB-CD2 4.15Å; F23-L29 HydrophobicContact CD1-CD1 4.21Å; F23-L29 HydrophobicContact CD1-CD2 4.11Å; F23-L29 HydrophobicContact CD2-CD1 4.21Å; F23-L29 HydrophobicContact CE1-CD1 4.19Å; F23-L29 HydrophobicContact CE2-CD1 4.17Å; F23-L29 HydrophobicContact CG-CD1 4.22Å; F23-L29 HydrophobicContact CG-CD2 4.14Å; F23-L29 HydrophobicContact CZ-CD1 4.16Å; L29-H44 HydrophobicContact CD2-CB 3.59Å; L29-I51 HydrophobicContact CB-CD1 4.25Å; L29-I51 HydrophobicContact CD1-CG2 3.95Å; L29-I51 HydrophobicContact CD2-CD1 4.41Å; L29-I56 HydrophobicContact CD1-CG2 3.48Å; L29-I56 VanDerWaalsContact CD1-CG2 3.48Å
30L97.2Very high97.6Very high53 Ų5362 Ų6228%0.27733%0.331SS..EExtended strand (participates in β ladder)trans-112.7120178.8-167.967.1000108.8P4 E6 Y32 G42 R43P4-L30 HydrophobicContact CB-CD1 3.64Å; P4-L30 HydrophobicContact CB-CD2 4.03Å; P4-L30 HydrophobicContact CB-CG 3.71Å; P4-L30 HydrophobicContact CG-CD1 3.95Å; P4-L30 HydrophobicContact CG-CD2 4.25Å; P4-L30 HydrophobicContact CG-CG 4.32Å; E6-L30 HydrophobicContact CG-CD1 4.44Å; L30-Y32 HydrophobicContact CD2-CE1 3.82Å; L30-Y32 HydrophobicContact CG-CE1 4.1Å; L30-G42 CarbonylContact O-C 3.55Å; L30-G42 WeakPolarHBondContact O-CA 3.47Å; L30-R43 HydrophobicContact CB-CB 4.45Å; L30-R43 PolarHBondContact N-O 3.4Å; L30-R43 VanDerWaalsContact N-O 3.09Å; L30-R43 PolarHBondContact O-N 3.28Å
31L97.4Very high97.6Very high0 Ų064.4 Ų64.40%034%0.341CS..EExtended strand (participates in β ladder)trans-102.3136.1-177.1-44.6179.6000110P4 I5 A7 W40 I51 I56 V58P4-L31 CarbonylContact C-O 3.49Å; P4-L31 VanDerWaalsContact CA-O 3.3Å; P4-L31 WeakPolarHBondContact CA-O 3.26Å; I5-L31 HydrophobicContact CB-CB 4.29Å; I5-L31 PolarHBondContact N-O 3.36Å; I5-L31 PolarHBondContact O-N 3.18Å; A7-L31 HydrophobicContact CB-CD1 3.76Å; A7-L31 HydrophobicContact CB-CD2 4.25Å; A7-L31 HydrophobicContact CB-CG 3.94Å; L31-W40 HydrophobicContact CB-CD2 4.17Å; L31-W40 HydrophobicContact CB-CE3 3.77Å; L31-W40 HydrophobicContact CB-CZ3 4.27Å; L31-W40 HydrophobicContact CD1-CD2 3.71Å; L31-W40 HydrophobicContact CD1-CE3 4.06Å; L31-W40 HydrophobicContact CD1-CG 3.95Å; L31-W40 HydrophobicContact CD1-CZ2 4.3Å; L31-W40 HydrophobicContact CD2-CB 4.01Å; L31-W40 HydrophobicContact CD2-CG 4.25Å; L31-W40 HydrophobicContact CG-CD2 4.41Å; L31-W40 HydrophobicContact CG-CE3 4.48Å; L31-W40 HydrophobicContact CG-CG 4.49Å; L31-I51 HydrophobicContact CD2-CB 4.46Å; L31-I51 HydrophobicContact CD2-CD1 3.69Å; L31-I51 HydrophobicContact CD2-CG2 4.32Å; L31-I56 HydrophobicContact CD1-CD1 3.7Å; L31-I56 HydrophobicContact CD2-CD1 3.9Å; L31-I56 HydrophobicContact CG-CD1 4.44Å; L31-V58 HydrophobicContact CD1-CG2 3.93Å
32Y95.4Very high97.6Very high79 Ų7963.8 Ų63.831%0.3134%0.338SS..EExtended strand (participates in β ladder)trans-104.2-52.6-179.2-59.6-50.3000112.3P4 L30 E41 R43P4-Y32 HydrophobicContact CB-CD1 3.84Å; P4-Y32 HydrophobicContact CB-CE1 3.91Å; L30-Y32 HydrophobicContact CD2-CE1 3.82Å; L30-Y32 HydrophobicContact CG-CE1 4.1Å; Y32-E41 PolarHBondContact N-O 2.9Å; Y32-R43 HydrophobicContact CE2-CB 3.84Å; Y32-R43 WeakPolarHBondContact OH-CB 3.44Å; Y32-R43 WeakPolarHBondContact OH-CD 3.48Å; Y32-R43 PolarHBondContact OH-NE 3.37Å
33Q95.1Very high97.5Very high111 Ų11165.5 Ų65.552%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-149.5153.2-178.863.117415.200111.9A35 W40 E41Q33-A35 PolarHBondContact O-N 3.34Å; Q33-W40 VanDerWaalsContact C-CE3 3.43Å; Q33-E41 HydrophobicContact CG-CB 3.95Å; Q33-E41 PolarHBondContact N-O 2.81Å; Q33-E41 PolarHBondContact NE2-OE2 2.99Å; Q33-E41 PolarHBondContact O-N 2.85Å
34R96.3Very high97.5Very high101 Ų10166.3 Ų66.338%0.38134%0.339SS..EExtended strand (participates in β ladder)trans-79.4105.1174.5-166.163.3165.2-106.7-0.5108.9S36 D37 W40 H53R34-S36 WeakPolarHBondContact CD-O 3.39Å; R34-S36 WeakPolarHBondContact CG-O 3.27Å; R34-S36 PolarHBondContact NE-O 2.9Å; R34-D37 PolarHBondContact NE-O 3.26Å; R34-D37 PolarHBondContact NH2-O 2.9Å; R34-W40 HydrophobicContact CB-CE3 4.26Å; R34-W40 HydrophobicContact CB-CH2 4.4Å; R34-W40 HydrophobicContact CB-CZ3 4.16Å; R34-W40 VanDerWaalsContact CD-CE2 3.46Å; R34-W40 VanDerWaalsContact NH1-CE2 3.31Å; R34-W40 VanDerWaalsContact NH1-NE1 3.17Å; R34-H53 PolarHBondContact NH2-CD2 3.43Å; R34-H53 VanDerWaalsContact NH2-CG 3.29Å; R34-H53 PolarHBondContact NH2-NE2 3.19Å
35A96.8Very high97.3Very high53 Ų5366.7 Ų66.744%0.43835%0.347SS..EExtended strand (participates in β ladder)trans-75-30.617900000112.2Q33 W39 L50Q33-A35 PolarHBondContact O-N 3.34Å; A35-W39 PolarHBondContact N-O 2.8Å; A35-L50 HydrophobicContact CB-CD2 4.16Å
36S97.6Very high97.2Very high52 Ų5262.5 Ų62.536%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-166178.1169.959.90000110.7R34 D38 W39R34-S36 WeakPolarHBondContact CD-O 3.39Å; R34-S36 WeakPolarHBondContact CG-O 3.27Å; R34-S36 PolarHBondContact NE-O 2.9Å; S36-D38 PolarHBondContact O-N 3.12Å; S36-W39 PolarHBondContact N-O 3.26Å; S36-W39 PolarHBondContact O-N 2.86Å; S36-W39 VanDerWaalsContact O-N 3.12Å; S36-W39 WeakPolarHBondContact OG-CB 3.28Å; S36-W39 PolarHBondContact OG-N 3.48Å
37D96.6Very high97.2Very high139 Ų13965.4 Ų65.474%0.74335%0.349SS*.THydrogen-bonded Turntrans-56.5-33.3179.9-61.7-31.2000113.5R34R34-D37 PolarHBondContact NE-O 3.26Å; R34-D37 PolarHBondContact NH2-O 2.9Å
38D98Very high97.1Very high77 Ų7768.6 Ų68.641%0.41236%0.363SS..THydrogen-bonded Turntrans-97.2-10.3177.9-76-55.2000114.5S36 P52 H53 Q54S36-D38 PolarHBondContact O-N 3.12Å; D38-P52 CarbonylContact O-C 3.51Å; D38-P52 WeakPolarHBondContact O-CA 3.5Å; D38-H53 WeakPolarHBondContact O-CB 3.33Å; D38-H53 PolarHBondContact O-N 2.92Å; D38-Q54 PolarHBondContact OD1-NE2 2.96Å
39W98.3Very high97.2Very high68 Ų6865 Ų6526%0.25834%0.341SS..EExtended strand (participates in β ladder)trans-134.9131.9-169.8-60.293.3000114.2Y13 E20 A35 S36 L50 P52Y13-W39 WeakPolarHBondContact OH-CH2 3.43Å; E20-W39 HydrophobicContact CG-CH2 3.74Å; E20-W39 HydrophobicContact CG-CZ3 3.75Å; A35-W39 PolarHBondContact N-O 2.8Å; S36-W39 PolarHBondContact N-O 3.26Å; S36-W39 PolarHBondContact O-N 2.86Å; S36-W39 VanDerWaalsContact O-N 3.12Å; S36-W39 WeakPolarHBondContact OG-CB 3.28Å; S36-W39 PolarHBondContact OG-N 3.48Å; W39-L50 HydrophobicContact CE3-CB 3.73Å; W39-L50 HydrophobicContact CZ3-CB 4.11Å; W39-P52 HydrophobicContact CE3-CB 4.04Å; W39-P52 HydrophobicContact CH2-CB 4.33Å; W39-P52 HydrophobicContact CZ3-CB 3.86Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å
40W98.3Very high97.2Very high25 Ų2567 Ų6710%0.09535%0.351CS..EExtended strand (participates in β ladder)trans-98.7147.8165.2-72.489000110.6I5 L31 Q33 R34 L50 I51 H53 I56I5-W40 HydrophobicContact CD1-CH2 3.92Å; I5-W40 HydrophobicContact CD1-CZ3 4.1Å; L31-W40 HydrophobicContact CB-CD2 4.17Å; L31-W40 HydrophobicContact CB-CE3 3.77Å; L31-W40 HydrophobicContact CB-CZ3 4.27Å; L31-W40 HydrophobicContact CD1-CD2 3.71Å; L31-W40 HydrophobicContact CD1-CE3 4.06Å; L31-W40 HydrophobicContact CD1-CG 3.95Å; L31-W40 HydrophobicContact CD1-CZ2 4.3Å; L31-W40 HydrophobicContact CD2-CB 4.01Å; L31-W40 HydrophobicContact CD2-CG 4.25Å; L31-W40 HydrophobicContact CG-CD2 4.41Å; L31-W40 HydrophobicContact CG-CE3 4.48Å; L31-W40 HydrophobicContact CG-CG 4.49Å; Q33-W40 VanDerWaalsContact C-CE3 3.43Å; R34-W40 HydrophobicContact CB-CE3 4.26Å; R34-W40 HydrophobicContact CB-CH2 4.4Å; R34-W40 HydrophobicContact CB-CZ3 4.16Å; R34-W40 VanDerWaalsContact CD-CE2 3.46Å; R34-W40 VanDerWaalsContact NH1-CE2 3.31Å; R34-W40 VanDerWaalsContact NH1-NE1 3.17Å; W40-L50 CarbonylContact O-C 3.56Å; W40-L50 VanDerWaalsContact O-CA 3.3Å; W40-L50 WeakPolarHBondContact O-CA 3.35Å; W40-I51 HydrophobicContact CB-CB 4.36Å; W40-I51 PolarHBondContact N-O 3.4Å; W40-I51 PolarHBondContact O-N 3.48Å; W40-H53 AromaticContact NE1-ND1 3.58Å; W40-I56 HydrophobicContact CG-CD1 4.48Å
41E97.9Very high97.2Very high78 Ų7864.5 Ų64.536%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-91.5133.2159-175.7167.4-162.100108.3Y32 Q33Y32-E41 PolarHBondContact N-O 2.9Å; Q33-E41 HydrophobicContact CG-CB 3.95Å; Q33-E41 PolarHBondContact N-O 2.81Å; Q33-E41 PolarHBondContact NE2-OE2 2.99Å; Q33-E41 PolarHBondContact O-N 2.85Å
42G97.3Very high97.3Very high0 Ų065 Ų650%034%0.341CS..EExtended strand (participates in β ladder)trans-170.7-171.3-172.800000113L30 D48 G49L30-G42 CarbonylContact O-C 3.55Å; L30-G42 WeakPolarHBondContact O-CA 3.47Å; G42-D48 CarbonylContact O-C 3.59Å; G42-D48 WeakPolarHBondContact O-CA 3.3Å; G42-G49 PolarHBondContact N-O 3.49Å; G42-G49 PolarHBondContact O-N 2.96Å; G42-G49 VanDerWaalsContact O-O 3.12Å
43R97.8Very high97.4Very high97 Ų9764.4 Ų64.437%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-128.9140.5-174.7-176.8170.5-74.31733.4112.1L30 Y32 I47 D48L30-R43 HydrophobicContact CB-CB 4.45Å; L30-R43 PolarHBondContact N-O 3.4Å; L30-R43 VanDerWaalsContact N-O 3.09Å; L30-R43 PolarHBondContact O-N 3.28Å; Y32-R43 HydrophobicContact CE2-CB 3.84Å; Y32-R43 WeakPolarHBondContact OH-CB 3.44Å; Y32-R43 WeakPolarHBondContact OH-CD 3.48Å; Y32-R43 PolarHBondContact OH-NE 3.37Å; R43-I47 VanDerWaalsContact CA-O 3.29Å; R43-I47 WeakPolarHBondContact CA-O 3.38Å; R43-D48 WeakPolarHBondContact CB-OD1 3.46Å; R43-D48 IonicContact CZ-OD1 3.62Å; R43-D48 VanDerWaalsContact CZ-OD1 3.23Å; R43-D48 IonicContact CZ-OD2 2.99Å; R43-D48 IonicContact NE-OD1 3.71Å; R43-D48 PolarHBondContact NE-OD1 2.92Å; R43-D48 IonicContact NE-OD2 2.66Å; R43-D48 VanDerWaalsContact NH2-CG 3.27Å; R43-D48 IonicContact NH2-OD1 2.79Å; R43-D48 PolarHBondContact NH2-OD1 2.89Å; R43-D48 IonicContact NH2-OD2 2.69Å; R43-D48 PolarHBondContact NH2-OD2 3.27Å
44H97.9Very high97.6Very high24 Ų2464.9 Ų64.911%0.11134%0.343CS..EExtended strand (participates in β ladder)trans-137.8129.9169.6179.3-129.2000109L21 S22 L29 G46 I47L21-H44 HydrophobicContact CD1-CB 3.97Å; S22-H44 PolarHBondContact O-CE1 3.48Å; S22-H44 PolarHBondContact O-ND1 2.9Å; L29-H44 HydrophobicContact CD2-CB 3.59Å; H44-G46 PolarHBondContact O-N 3.48Å; H44-G46 VanDerWaalsContact O-N 3.1Å; H44-I47 PolarHBondContact N-O 3.48Å; H44-I47 PolarHBondContact O-N 2.91Å
45N95.5Very high97.7Very high139 Ų13963.6 Ų63.674%0.74334%0.339SS*.THydrogen-bonded Turntrans49.635.5-179.6-62.3-21.7000114.7I47N45-I47 VanDerWaalsContact C-N 3.33Å; N45-I47 PolarHBondContact O-N 3.37Å
46G95.6Very high97.8Very high59 Ų5961.3 Ų61.361%0.60832%0.319SS*.THydrogen-bonded Turntrans83.2-2.2-178.700000115.7H44H44-G46 PolarHBondContact O-N 3.48Å; H44-G46 VanDerWaalsContact O-N 3.1Å
47I97.6Very high97.7Very high111 Ų11162.6 Ų62.657%0.56933%0.325SS*.EExtended strand (participates in β ladder)trans-102.8129.8-179.7-51.9176.6000109.6L21 R43 H44 N45L21-I47 WeakPolarHBondContact CD1-O 3.36Å; L21-I47 HydrophobicContact CD2-CB 4.12Å; L21-I47 HydrophobicContact CD2-CG2 3.77Å; R43-I47 VanDerWaalsContact CA-O 3.29Å; R43-I47 WeakPolarHBondContact CA-O 3.38Å; H44-I47 PolarHBondContact N-O 3.48Å; H44-I47 PolarHBondContact O-N 2.91Å; N45-I47 VanDerWaalsContact C-N 3.33Å; N45-I47 PolarHBondContact O-N 3.37Å
48D97.8Very high97.7Very high83 Ų8358 Ų5844%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-87.4145.2176-63.8-35.8000112.3G42 R43G42-D48 CarbonylContact O-C 3.59Å; G42-D48 WeakPolarHBondContact O-CA 3.3Å; R43-D48 WeakPolarHBondContact CB-OD1 3.46Å; R43-D48 IonicContact CZ-OD1 3.62Å; R43-D48 VanDerWaalsContact CZ-OD1 3.23Å; R43-D48 IonicContact CZ-OD2 2.99Å; R43-D48 IonicContact NE-OD1 3.71Å; R43-D48 PolarHBondContact NE-OD1 2.92Å; R43-D48 IonicContact NE-OD2 2.66Å; R43-D48 VanDerWaalsContact NH2-CG 3.27Å; R43-D48 IonicContact NH2-OD1 2.79Å; R43-D48 PolarHBondContact NH2-OD1 2.89Å; R43-D48 IonicContact NH2-OD2 2.69Å; R43-D48 PolarHBondContact NH2-OD2 3.27Å
49G97.9Very high97.4Very high12 Ų1258.3 Ų58.312%0.12430%0.301CS..EExtended strand (participates in β ladder)trans170-16717500000113.9R19 G42R19-G49 CarbonylContact O-C 3.58Å; R19-G49 WeakPolarHBondContact O-CA 3.5Å; G42-G49 PolarHBondContact N-O 3.49Å; G42-G49 PolarHBondContact O-N 2.96Å; G42-G49 VanDerWaalsContact O-O 3.12Å
50L98.6Very high96.5Very high47 Ų4762 Ų6225%0.24633%0.325CS..EExtended strand (participates in β ladder)trans-85.9133.1-177.5-60.4179.7000111.5R19 E20 L21 A35 W39 W40R19-L50 HydrophobicContact CB-CD1 4.38Å; R19-L50 WeakPolarHBondContact O-CB 3.32Å; R19-L50 PolarHBondContact O-N 3.34Å; E20-L50 HydrophobicContact CG-CB 4.41Å; L21-L50 PolarHBondContact N-O 3.29Å; A35-L50 HydrophobicContact CB-CD2 4.16Å; W39-L50 HydrophobicContact CE3-CB 3.73Å; W39-L50 HydrophobicContact CZ3-CB 4.11Å; W40-L50 CarbonylContact O-C 3.56Å; W40-L50 VanDerWaalsContact O-CA 3.3Å; W40-L50 WeakPolarHBondContact O-CA 3.35Å
51I98.6Very high94.7Very high0 Ų066.7 Ų66.70%036%0.357CS..EExtended strand (participates in β ladder)trans-120.8120.6179.9-60.9171.9000107.8L21 F23 L29 L31 W40 H53 I56L21-I51 HydrophobicContact CB-CG1 4.37Å; L21-I51 HydrophobicContact CD1-CD1 4.02Å; L21-I51 HydrophobicContact CD1-CG1 3.83Å; L21-I51 HydrophobicContact CG-CG1 4.47Å; F23-I51 HydrophobicContact CE1-CG2 3.92Å; F23-I51 HydrophobicContact CZ-CG2 4.11Å; L29-I51 HydrophobicContact CB-CD1 4.25Å; L29-I51 HydrophobicContact CD1-CG2 3.95Å; L29-I51 HydrophobicContact CD2-CD1 4.41Å; L31-I51 HydrophobicContact CD2-CB 4.46Å; L31-I51 HydrophobicContact CD2-CD1 3.69Å; L31-I51 HydrophobicContact CD2-CG2 4.32Å; W40-I51 HydrophobicContact CB-CB 4.36Å; W40-I51 PolarHBondContact N-O 3.4Å; W40-I51 PolarHBondContact O-N 3.48Å; I51-H53 PolarHBondContact O-N 3.09Å; I51-I56 HydrophobicContact CG2-CD1 3.99Å; I51-I56 HydrophobicContact CG2-CG2 3.61Å
52P98.5Very high92.5Very high9 Ų971.5 Ų71.56%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-72.5122.2-179.225.7-30.2000111.1Y13 F23 D38 W39 Q54 Y55Y13-P52 HydrophobicContact CD1-CG 3.8Å; Y13-P52 HydrophobicContact CD2-CG 3.87Å; Y13-P52 HydrophobicContact CE1-CG 3.68Å; Y13-P52 HydrophobicContact CE2-CG 3.75Å; Y13-P52 HydrophobicContact CG-CG 3.89Å; F23-P52 HydrophobicContact CZ-CG 4.34Å; D38-P52 CarbonylContact O-C 3.51Å; D38-P52 WeakPolarHBondContact O-CA 3.5Å; W39-P52 HydrophobicContact CE3-CB 4.04Å; W39-P52 HydrophobicContact CH2-CB 4.33Å; W39-P52 HydrophobicContact CZ3-CB 3.86Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å; P52-Q54 PolarHBondContact O-N 3.01Å; P52-Y55 HydrophobicContact CB-CD2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 3.92Å; P52-Y55 HydrophobicContact CG-CG 4.09Å; P52-Y55 PolarHBondContact O-N 3.37Å
53H98.3Very high90.1Very high68 Ų6879.1 Ų79.132%0.31542%0.42SS..G310 helixtrans-55.2-38.2-179.1175.550.6000112.3R34 D38 W40 I51 Y55 I56R34-H53 PolarHBondContact NH2-CD2 3.43Å; R34-H53 VanDerWaalsContact NH2-CG 3.29Å; R34-H53 PolarHBondContact NH2-NE2 3.19Å; D38-H53 WeakPolarHBondContact O-CB 3.33Å; D38-H53 PolarHBondContact O-N 2.92Å; W40-H53 AromaticContact NE1-ND1 3.58Å; I51-H53 PolarHBondContact O-N 3.09Å; H53-Y55 PolarHBondContact O-N 3.31Å; H53-I56 WeakPolarHBondContact O-CG1 3.29Å; H53-I56 PolarHBondContact O-N 2.92Å
54Q98.2Very high87.5Confident120 Ų12078 Ų7856%0.56144%0.439SS*.G310 helixtrans-65.3-8.2179.5-60.3-171.217.500114.3K10 D38 P52K10-Q54 WeakPolarHBondContact CE-O 3.02Å; K10-Q54 PolarHBondContact NZ-O 3.1Å; D38-Q54 PolarHBondContact OD1-NE2 2.96Å; P52-Q54 PolarHBondContact O-N 3.01Å
55Y98.6Very high85.2Confident74 Ų7483.5 Ų83.529%0.2947%0.474SS..G310 helixtrans-109.6-2.2-179.5-77.5-109.4000114.1K10 F11 D12 Y13 P52 H53K10-Y55 WeakPolarHBondContact CG-O 3.37Å; K10-Y55 PolarHBondContact N-O 2.89Å; F11-Y55 HydrophobicContact CB-CD1 3.82Å; F11-Y55 HydrophobicContact CB-CE1 4.17Å; F11-Y55 HydrophobicContact CD2-CD1 4.2Å; F11-Y55 HydrophobicContact CD2-CE1 4.46Å; D12-Y55 WeakPolarHBondContact O-CE1 3.44Å; Y13-Y55 AromaticContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD2 4.2Å; Y13-Y55 AromaticContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE2 4.17Å; Y13-Y55 AromaticContact CD2-CG 4Å; Y13-Y55 HydrophobicContact CD2-CG 4Å; Y13-Y55 AromaticContact CD2-CZ 3.93Å; Y13-Y55 HydrophobicContact CE2-CE2 4.37Å; Y13-Y55 HydrophobicContact CG-CD1 4.17Å; Y13-Y55 HydrophobicContact CG-CG 4.43Å; P52-Y55 HydrophobicContact CB-CD2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 3.92Å; P52-Y55 HydrophobicContact CG-CG 4.09Å; P52-Y55 PolarHBondContact O-N 3.37Å; H53-Y55 PolarHBondContact O-N 3.31Å
56I98.1Very high82.9Confident5 Ų583 Ų833%0.02648%0.475CS..EExtended strand (participates in β ladder)trans-120.9165.1-176.367177.8000111.7A7 I8 K10 F23 L29 L31 W40 I51 H53A7-I56 HydrophobicContact CB-CB 4.41Å; A7-I56 HydrophobicContact CB-CD1 4.15Å; I8-I56 CarbonylContact O-C 3.55Å; I8-I56 WeakPolarHBondContact O-CA 3.5Å; K10-I56 PolarHBondContact NZ-O 3.32Å; K10-I56 VanDerWaalsContact NZ-O 3.16Å; F23-I56 HydrophobicContact CE2-CG2 4.44Å; F23-I56 HydrophobicContact CZ-CG2 4.2Å; L29-I56 HydrophobicContact CD1-CG2 3.48Å; L29-I56 VanDerWaalsContact CD1-CG2 3.48Å; L31-I56 HydrophobicContact CD1-CD1 3.7Å; L31-I56 HydrophobicContact CD2-CD1 3.9Å; L31-I56 HydrophobicContact CG-CD1 4.44Å; W40-I56 HydrophobicContact CG-CD1 4.48Å; I51-I56 HydrophobicContact CG2-CD1 3.99Å; I51-I56 HydrophobicContact CG2-CG2 3.61Å; H53-I56 WeakPolarHBondContact O-CG1 3.29Å; H53-I56 PolarHBondContact O-N 2.92Å
57V97.3Very high80.3Confident80 Ų8086.8 Ų86.849%0.48548%0.477SS..EExtended strand (participates in β ladder)trans-122.3124.7164.11760000106.2A7 I8 K10A7-V57 CarbonylContact C-O 3.36Å; A7-V57 WeakPolarHBondContact CA-O 3.48Å; A7-V57 WeakPolarHBondContact CB-O 3.39Å; I8-V57 PolarHBondContact N-O 2.96Å; I8-V57 PolarHBondContact O-N 3.49Å; K10-V57 HydrophobicContact CB-CG2 4.2Å; K10-V57 HydrophobicContact CD-CG2 3.94Å
58V95.8Very high78Confident43 Ų4391.2 Ų91.226%0.26149%0.486SS..EExtended strand (participates in β ladder)trans-73.2135.4173.1171.20000108.5I5 L31I5-V58 HydrophobicContact CG2-CG1 3.46Å; I5-V58 VanDerWaalsContact CG2-CG1 3.46Å; L31-V58 HydrophobicContact CD1-CG2 3.93Å
59Q92.3Very high75.5Confident83 Ų8392.9 Ų92.939%0.38851%0.505SS..  trans-95.9106.8168.9-62.6-171.6115.200107.6E6 I8 T61E6-Q59 HydrophobicContact CB-CB 4.35Å; E6-Q59 PolarHBondContact O-N 2.77Å; E6-Q59 PolarHBondContact OE2-NE2 3.16Å; I8-Q59 HydrophobicContact CG1-CG 4.14Å; Q59-T61 PolarHBondContact O-N 3.31Å
60D79.1Confident72.7Confident144 Ų14497.4 Ų97.477%0.7754%0.535SS*.  trans-73.6116170.5-60.8-35.8000108.1E62D60-E62 PolarHBondContact O-N 3.47Å
61T60.8Low70.3Confident124 Ų124101 Ų10176%0.76156%0.561SS**  trans-68.6117.9166.748.40000108.5Q59 D63Q59-T61 PolarHBondContact O-N 3.31Å; T61-D63 PolarHBondContact O-N 2.87Å
62E51Low67.4Low180 Ų180111 Ų11184%0.84160%0.604SS**SBendtrans-64.5112.7-172.160.2-161.9150.700113.2D60D60-E62 PolarHBondContact O-N 3.47Å
63D47.3Very low64.8Low160 Ų160116.4 Ų116.486%0.85664%0.642SS**  162.8108.4115.7-91.9-30.5000111.8T61T61-D63 PolarHBondContact O-N 2.87Å
64G43.5Very low62Low73 Ų73121.6 Ų121.675%0.75367%0.666SS**  trans174.521.9-17900000121.9
65V48.4Very low59.8Low140 Ų140122 Ų12285%0.84867%0.671SS**  trans53.6105.5165.3170.80000117.2
66V47.1Very low57.3Low127 Ų127126.3 Ų126.377%0.7769%0.694SS**  -168.2102.3104.6167.30000109.4
67E42.4Very low54.3Low140 Ų140131.9 Ų131.965%0.65473%0.728SS**  trans51.2115.4130.6-153.6158.3-17600122.9
68R47.7Very low51.6Low203 Ų203135 Ų13577%0.76674%0.741SS**  trans71.189.6151-69.1169.4-153.6-104.2-1.9120.1
69S45.2Very low48.8Very low119 Ų119138.1 Ų138.183%0.83276%0.764SS**  -126.880.4125.962.40000110.4P71S69-P71 WeakPolarHBondContact O-CD 3.3Å
70S39.5Very low46.1Very low107 Ų107142.8 Ų142.875%0.74879%0.786SS**  trans-68.9121.1177.1-59.40000111
71P48.8Very low44.9Very low123 Ų123141.5 Ų141.580%0.79979%0.786SS**  trans-85.1116.7177.332.2-30.5000110.2S69S69-P71 WeakPolarHBondContact O-CD 3.3Å
72K36.7Very low44.1Very low209 Ų209141 Ų14191%0.90979%0.785SS**  trans-160.489.3165.7-130162.9-172.6167.50115.3
73S44.3Very low43.7Very low122 Ų122141 Ų14185%0.85378%0.784SS**  trans-157.691.8143.558.20000108.6
74E39.2Very low43.5Very low177 Ų177142 Ų14283%0.82778%0.784SS**  trans-80.2164.2168.2-173-178.6111.900109.8
75I52.2Low43.4Very low128 Ų128147.9 Ų147.966%0.65679%0.789SS**  trans88.295.6166.8-136.668.1000118.5
76E45.8Very low43.3Very low165 Ų165147.3 Ų147.377%0.77179%0.785SS**  9.9133.2129.7-50.4179.5149.600118.6
77V36.9Very low43Very low122 Ų122147.4 Ų147.474%0.73979%0.786SS**  -178.7118.1107148.70000111.8
78I40.3Very low43.2Very low147 Ų147144.9 Ų144.975%0.75479%0.79SS**  trans24.7134.6137.6-22.6167.8000120.4
79S37.3Very low43.1Very low108 Ų108146.6 Ų146.676%0.75580%0.796SS**  trans105.9116.1147.2-350000119.2
80E34.5Very low43.3Very low181 Ų181146 Ų14685%0.84680%0.798SS**  trans27.4136.9139.5-148.7169.1162.300122.3
81P54.9Low43.3Very low117 Ų117144.4 Ų144.476%0.7680%0.799SS**  trans-74.4154.3179.132.9-38000113.8
82P42.9Very low43.2Very low114 Ų114143.3 Ų143.374%0.7480%0.8SS**  -145.5141.1113.535.4-20000116.4
83E42.3Very low43.6Very low179 Ų179138.8 Ų138.884%0.83680%0.795SS**  38.5139.3127.9-47.8-167.115000123.3
84E42.6Very low43.5Very low180 Ų180137.7 Ų137.784%0.84179%0.786SS**  trans46.8110.3156.3-61.6-159.6127.100121.6
85K43Very low44.3Very low198 Ų198134.7 Ų134.786%0.86178%0.782SS**  -172.3139.397.1-119.8169.1179.1-710115
86V45.9Very low44.6Very low127 Ų127134.2 Ų134.277%0.7779%0.79SS**  trans-67.9134.3167175.70000111
87T40.1Very low45Very low129 Ų129129.6 Ų129.679%0.79179%0.787SS**  trans-149.8108.2145.5-70.40000109.6
88A46.5Very low45.9Very low88 Ų88125.2 Ų125.273%0.72777%0.766SS**  trans-71.5134.5172.700000110.8
89R46.5Very low47.1Very low239 Ų239123.8 Ų123.890%0.90276%0.756SS**  trans-131.7115.3152.3-94-172.6174.1174.10109.5G91R89-G91 PolarHBondContact O-N 3.44Å
90A48.4Very low49Very low105 Ų105124.5 Ų124.587%0.86876%0.756SS**PPolyproline II helixtrans-61118.7171.700000109.7A92A90-A92 PolarHBondContact O-N 3.03Å
91G40.2Very low50.6Low75 Ų75118.9 Ų118.977%0.77374%0.74SS**PPolyproline II helixtrans-69.3122.3161.300000108.4R89 S93R89-G91 PolarHBondContact O-N 3.44Å; G91-S93 PolarHBondContact O-N 3.34Å
92A46.7Very low51.4Low100 Ų100117.8 Ų117.883%0.82673%0.728SS**PPolyproline II helixtrans-65.1124.5-178.200000110.8A90 C94A90-A92 PolarHBondContact O-N 3.03Å; A92-C94 PolarHBondContact O-N 2.99Å
93S45.6Very low52.9Low113 Ų113117.8 Ų117.879%0.7972%0.721SS**  trans-66.6112.9168.247.10000109.6G91 P95G91-S93 PolarHBondContact O-N 3.34Å; S93-P95 WeakPolarHBondContact O-CD 3.35Å
94C41.7Very low54.5Low100 Ų100117 Ų11768%0.67671%0.711SS**  trans-78.4114.8173.148.20000109.5A92 S96A92-C94 PolarHBondContact O-N 2.99Å; C94-S96 PolarHBondContact O-N 2.87Å
95P56.1Low56.2Low114 Ų114113.8 Ų113.874%0.7470%0.699SS**THydrogen-bonded Turntrans-79.414.8-166.332.5-37.4000114.8S93 H99S93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-H99 PolarHBondContact O-CE1 3.26Å
96S58.7Low57.6Low117 Ų117106.7 Ų106.782%0.81868%0.677SS**THydrogen-bonded Turntrans-135.615.7-167.4-165.20000115.5C94C94-S96 PolarHBondContact O-N 2.87Å
97G53.8Low58.7Low69 Ų69105.8 Ų105.871%0.71167%0.668SS**SBendtrans-147.2-7.6-173.900000119
98G56.7Low60.2Low30 Ų30103.8 Ų103.831%0.30965%0.652SS.*SBendtrans-100.1-37-176.900000115.6V100 A101 D102G98-V100 VanDerWaalsContact C-N 3.27Å; G98-V100 PolarHBondContact O-N 3.15Å; G98-A101 PolarHBondContact O-N 3.09Å; G98-D102 PolarHBondContact O-N 3.02Å
99H65.5Low61.2Low116 Ų116105.1 Ų105.154%0.53765%0.647SS.*Hα-helixtrans-53-32.6-160.3-57.6109.3000116.3P95 D102 I103P95-H99 PolarHBondContact O-CE1 3.26Å; H99-D102 PolarHBondContact N-OD2 2.76Å; H99-D102 PolarHBondContact O-N 2.77Å; H99-I103 HydrophobicContact CB-CD1 4.49Å; H99-I103 VanDerWaalsContact O-CB 3.29Å; H99-I103 WeakPolarHBondContact O-CB 3.21Å; H99-I103 VanDerWaalsContact O-CD1 3.29Å; H99-I103 WeakPolarHBondContact O-CD1 3.48Å; H99-I103 WeakPolarHBondContact O-CG1 3.48Å; H99-I103 PolarHBondContact O-N 2.95Å
100V75.4Confident62Low124 Ų12499.3 Ų99.375%0.75263%0.634SS**Hα-helixtrans-68-40.2-179.7179.40000111.5G98 Y104G98-V100 VanDerWaalsContact C-N 3.27Å; G98-V100 PolarHBondContact O-N 3.15Å; V100-Y104 WeakPolarHBondContact O-CB 3.21Å; V100-Y104 PolarHBondContact O-N 2.99Å
101A69.9Low62.5Low62 Ų6299.3 Ų99.351%0.51262%0.619SS.*Hα-helixtrans-69-42.2176.100000110.9G98 I103 Y104 L105G98-A101 PolarHBondContact O-N 3.09Å; A101-I103 PolarHBondContact O-N 2.77Å; A101-Y104 PolarHBondContact O-N 3.25Å; A101-L105 PolarHBondContact O-N 2.69Å
102D71.1Confident63.2Low95 Ų95102.9 Ų102.951%0.50862%0.619SS.*Hα-helixtrans-62.2-43177.8-54.9-41.7000111.6G98 H99 A106G98-D102 PolarHBondContact O-N 3.02Å; H99-D102 PolarHBondContact N-OD2 2.76Å; H99-D102 PolarHBondContact O-N 2.77Å; D102-A106 VanDerWaalsContact O-CB 3.25Å; D102-A106 WeakPolarHBondContact O-CB 3.23Å; D102-A106 PolarHBondContact O-N 3.41Å
103I74.2Confident63.4Low114 Ų114105.8 Ų105.859%0.58562%0.616SS**Hα-helixtrans-63.6-41.8174.8-71.4163000110.8H99 A101 A106 N107H99-I103 HydrophobicContact CB-CD1 4.49Å; H99-I103 VanDerWaalsContact O-CB 3.29Å; H99-I103 WeakPolarHBondContact O-CB 3.21Å; H99-I103 VanDerWaalsContact O-CD1 3.29Å; H99-I103 WeakPolarHBondContact O-CD1 3.48Å; H99-I103 WeakPolarHBondContact O-CG1 3.48Å; H99-I103 PolarHBondContact O-N 2.95Å; A101-I103 PolarHBondContact O-N 2.77Å; I103-A106 PolarHBondContact O-N 2.75Å; I103-N107 VanDerWaalsContact O-CB 3.31Å; I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 2.71Å
104Y76.7Confident63.8Low162 Ų162106.8 Ų106.864%0.63561%0.611SS**Hα-helixtrans-65.9-46.2-179.6-156-100.4000111.5V100 A101 N107 I108V100-Y104 WeakPolarHBondContact O-CB 3.21Å; V100-Y104 PolarHBondContact O-N 2.99Å; A101-Y104 PolarHBondContact O-N 3.25Å; Y104-N107 PolarHBondContact O-N 2.85Å; Y104-I108 HydrophobicContact CD1-CD1 3.62Å; Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.76Å; Y104-I108 HydrophobicContact CE1-CG1 4.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.31Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å
105L78.4Confident64.1Low112 Ų112108.2 Ų108.259%0.58661%0.612SS**Hα-helixtrans-60.6-44.6173.6-103.263.6000112.3A101 N107 I108 N109A101-L105 PolarHBondContact O-N 2.69Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 2.87Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-N109 PolarHBondContact O-N 2.82Å; L105-N109 VanDerWaalsContact O-N 3.07Å
106A71.4Confident63.9Low49 Ų49110.2 Ų110.241%0.40562%0.617SS.*Hα-helixtrans-62.6-37.3176.900000112D102 I103 N110D102-A106 VanDerWaalsContact O-CB 3.25Å; D102-A106 WeakPolarHBondContact O-CB 3.23Å; D102-A106 PolarHBondContact O-N 3.41Å; I103-A106 PolarHBondContact O-N 2.75Å; A106-N110 PolarHBondContact O-N 2.84Å; A106-N110 VanDerWaalsContact O-N 3.1Å; A106-N110 PolarHBondContact O-ND2 2.76Å
107N69.7Low63.3Low108 Ų108111 Ų11158%0.57862%0.617SS**Hα-helixtrans-71.2-38.6179-16253.7000112.2I103 Y104 L105 N110 N111I103-N107 VanDerWaalsContact O-CB 3.31Å; I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 2.71Å; Y104-N107 PolarHBondContact O-N 2.85Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 2.87Å; N107-N110 PolarHBondContact O-N 3.23Å; N107-N111 WeakPolarHBondContact O-CB 3.38Å; N107-N111 PolarHBondContact O-N 2.8Å; N107-N111 VanDerWaalsContact O-N 3.07Å
108I71.1Confident62.7Low88 Ų88116.7 Ų116.745%0.45162%0.622SS.*Hα-helixtrans-60.9-48.3173.4-65160.4000110.5Y104 L105 N110 N111 L112Y104-I108 HydrophobicContact CD1-CD1 3.62Å; Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.76Å; Y104-I108 HydrophobicContact CE1-CG1 4.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.31Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å; L105-I108 PolarHBondContact O-N 3.37Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 2.89Å; I108-N111 PolarHBondContact O-N 2.93Å; I108-L112 PolarHBondContact O-N 3.1Å; I108-L112 VanDerWaalsContact O-N 3.16Å
109N68.3Low61.9Low116 Ų116121.5 Ų121.562%0.6265%0.648SS**Hα-helixtrans-65.1-31.4-179.7-81.4-2.6000113.6L105L105-N109 PolarHBondContact O-N 2.82Å; L105-N109 VanDerWaalsContact O-N 3.07Å
110N63Low60.7Low117 Ų117122.3 Ų122.363%0.62666%0.661SS**Hα-helixtrans-74.4-33.7174-81.2-77.7000112.5A106 N107 I108 H113A106-N110 PolarHBondContact O-N 2.84Å; A106-N110 VanDerWaalsContact O-N 3.1Å; A106-N110 PolarHBondContact O-ND2 2.76Å; N107-N110 PolarHBondContact O-N 3.23Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 2.89Å; N110-H113 PolarHBondContact O-N 2.98Å
111N57.6Low59.1Low104 Ų104122.7 Ų122.756%0.55666%0.663SS**Hα-helixtrans-69.5-38.4179.9-151.23.6000111.5N107 I108 H113 L114N107-N111 WeakPolarHBondContact O-CB 3.38Å; N107-N111 PolarHBondContact O-N 2.8Å; N107-N111 VanDerWaalsContact O-N 3.07Å; I108-N111 PolarHBondContact O-N 2.93Å; N111-H113 PolarHBondContact O-N 3.49Å; N111-H113 VanDerWaalsContact O-N 3.14Å; N111-L114 PolarHBondContact O-N 2.98Å
112L54.6Low57.5Low150 Ų150126.1 Ų126.179%0.78568%0.678SS**THydrogen-bonded Turntrans-64.3-16.7176.9-162.670.5000114I108I108-L112 PolarHBondContact O-N 3.1Å; I108-L112 VanDerWaalsContact O-N 3.16Å
113H51.8Low56Low162 Ų162130.8 Ų130.875%0.7569%0.694SS**THydrogen-bonded Turntrans-99.6-0.3-177-149.182.8000114.4N110 N111N110-H113 PolarHBondContact O-N 2.98Å; N111-H113 PolarHBondContact O-N 3.49Å; N111-H113 VanDerWaalsContact O-N 3.14Å
114L53.9Low54.2Low133 Ų133134 Ų13470%0.69671%0.707SS**THydrogen-bonded Turntrans-93.2-24.2-177.9-166.754.6000113.4N111 N116N111-L114 PolarHBondContact O-N 2.98Å; L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.27Å; L114-N116 VanDerWaalsContact O-N 3.13Å
115D48.1Very low52.4Low130 Ų130137.1 Ų137.170%0.69572%0.717SS**THydrogen-bonded Turntrans-8841.2-173.8-67-21.3000114
116N51.8Low50.4Low157 Ų157141.6 Ų141.684%0.8473%0.732SS**THydrogen-bonded Turntrans-17250.7162.3-102.2-38.4000116.8L114L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.27Å; L114-N116 VanDerWaalsContact O-N 3.13Å
117T47.2Very low49Very low133 Ų133148.9 Ų148.982%0.81675%0.749SS**  trans-156.6139.6151.9-10.30000115.4
118K40.7Very low47.5Very low189 Ų189149.5 Ų149.582%0.82276%0.759SS**  trans-72.2138.3175-58.7172.2-176.4175.10110.5V120K118-V120 PolarHBondContact O-N 2.94Å; K118-V120 VanDerWaalsContact O-N 3.17Å
119P40.6Very low45.6Very low131 Ų131152.3 Ų152.385%0.85177%0.77SS**  trans-76105.7177.829.9-33.5000111.5
120V39Very low44.4Very low133 Ų133152.8 Ų152.881%0.80678%0.782SS**  trans-86.4132.6163.5171.50000109.4K118 T122K118-V120 PolarHBondContact O-N 2.94Å; K118-V120 VanDerWaalsContact O-N 3.17Å; V120-T122 PolarHBondContact O-N 2.87Å
121T41.8Very low43Very low131 Ų131150.7 Ų150.780%0.80479%0.788SS**  trans-74.2120-175.453.30000112.8
122T36.3Very low41.7Very low135 Ų135150.6 Ų150.683%0.82880%0.796SS**  trans-141.3114.2150.1-42.90000111V120V120-T122 PolarHBondContact O-N 2.87Å
123K40.8Very low41Very low192 Ų192149.5 Ų149.584%0.83579%0.79SS**  trans-74.6127.9168.7-62.9173179.7173.10108.6
124Q35.4Very low40.4Very low183 Ų183151.9 Ų151.986%0.85579%0.792SS**  -150.5155.3124.7-96-41.3-28.300112.7
125R39.6Very low39.5Very low227 Ų227154.2 Ų154.286%0.85780%0.797SS**  trans-128.9114.8-157.5175-162.6-155.2171.97.2109.9
126K35.4Very low39Very low206 Ų206153.2 Ų153.290%0.89680%0.795SS**  trans-168116.3143.9-114.2173.2180-175.80113.8
127R43.2Very low38.1Very low201 Ų201155.5 Ų155.576%0.75880%0.798SS**  trans-84.8147.3158.6171.3178.2170.4140.2-2.8108.7E129R127-E129 HydrophobicContact CG-CB 4.29Å; R127-E129 IonicContact NE-OE2 3.64Å; R127-E129 IonicContact NH2-OE2 3.95Å
128P36.4Very low37.5Very low121 Ų121160.2 Ų160.279%0.78680%0.801SS**  -134.9115.5124.132.7-19.9000109.1
129E31.7Very low37Very low147 Ų147156 Ų15669%0.68780%0.795SS**  55.7112.772.5-162.3153.8158.600114.8R127R127-E129 HydrophobicContact CG-CB 4.29Å; R127-E129 IonicContact NE-OE2 3.64Å; R127-E129 IonicContact NH2-OE2 3.95Å
130S44.2Very low36.4Very low126 Ų126156.3 Ų156.388%0.88179%0.79SS**  trans-79.8132.5-179.5-51.70000111.7
131G32.3Very low35.9Very low73 Ų73153.8 Ų153.875%0.75378%0.778SS**  trans-162.786.9-177.700000116.1
132S30.6Very low35.8Very low103 Ų103156.6 Ų156.672%0.7278%0.782SS**  56108.2126.1-145.40000121.6
133I40.8Very low35.4Very low127 Ų127153.5 Ų153.565%0.65178%0.776SS**  trans80.1132.3130.1-65175.4000121.4
134R38.8Very low35.4Very low211 Ų211152.8 Ų152.880%0.79678%0.781SS**  trans92.6130.7150.7-92.2173.8-72.7-122.63.1122.2
135K35.8Very low35.3Very low182 Ų182149.1 Ų149.179%0.79178%0.776SS**  trans67.7114.6149.5-69.3-172.4172.3-173.50118.3
136T37.3Very low35Very low109 Ų109143.3 Ų143.367%0.66977%0.769SS**  62.310871.867.20000115.8
137F31.7Very low34.9Very low206 Ų206138.1 Ų138.190%0.90476%0.759SS**  -178.5-179.5114.4-101.7-73.9000111.6
138R34.8Very low34.6Very low232 Ų232135.4 Ų135.488%0.87576%0.759SS**  trans-111.8-174.8-163.9-68.1173.5163.6-109.61.6113.3
139S30.4Very low34.6Very low100 Ų100135.9 Ų135.970%0.69976%0.76SS**  trans79.9150.6165.1-78.30000116.5
140D28.1Very low34.5Very low137 Ų137136 Ų13673%0.73377%0.765SS**  cis-160.3134-7-104.9-40.2000106.9
141S29.6Very low34Very low80 Ų80134.7 Ų134.756%0.55976%0.756SS**  102.7159.985.983.70000114.5
142H38.4Very low34.1Very low191 Ų191137.1 Ų137.188%0.88476%0.762SS**  trans69133.5-172.8-41.5-74.5000115.6
143G29.2Very low34.3Very low69 Ų69137.9 Ų137.971%0.71177%0.767SS**  cis160.9158.70.800000108.3
144L39.5Very low34.9Very low177 Ų177137.7 Ų137.793%0.92777%0.774SS**  cis-157.3-1700.1-82.3174.8000109.1
145S32.7Very low34.6Very low107 Ų107131 Ų13175%0.74877%0.77SS**  trans78.194.1170.1-160.80000117
146S34.6Very low34.7Very low104 Ų104129.6 Ų129.673%0.72778%0.776SS**  68.4134.763.478.60000114.5
147S32.5Very low34.6Very low98 Ų98127.6 Ų127.669%0.68578%0.778SS**  cis-170.5158.5-5.138.10000107.4
148L36.4Very low34.6Very low144 Ų144122.9 Ų122.975%0.75478%0.777SS**  177.3145.677.7-82.8170.6000111.4
149T37.7Very low34.5Very low130 Ų130116.6 Ų116.680%0.79877%0.769SS**  trans55.3144.3145.859.30000121.1
150D28.2Very low34.5Very low149 Ų149117.8 Ų117.880%0.79778%0.775SS**  cis-147.7-166.26-160.52.6000111.9
151S35.5Very low35.2Very low99 Ų99122.6 Ų122.669%0.69278%0.783SS**  trans-119.6148.2-144.8-46.10000115
152S34.3Very low35.8Very low125 Ų125124.8 Ų124.887%0.87480%0.796SS**  trans-169.6135.1136.440.20000113.1
153S34.8Very low35.5Very low118 Ų118120.6 Ų120.683%0.82579%0.788SS**  trans-124.7175.9171.2-107.60000106.9
154P51.8Low35.6Very low124 Ų124122.5 Ų122.581%0.80579%0.79SS**  cis-150.7171.331.541.8-20.9000119.8
155G33.2Very low35.5Very low69 Ų69122.6 Ų122.671%0.71179%0.786SS**  trans82147.5148.200000117.6
156V39Very low36.5Very low153 Ų153122.7 Ų122.793%0.92778%0.784SS**  cis-154.9166.80.5-69.30000108.6
157G33.3Very low36.4Very low68 Ų68125.7 Ų125.770%0.70179%0.79SS**  cis159.495.9-7.700000113.1
158A33.5Very low36.5Very low106 Ų106129.6 Ų129.688%0.87680%0.799SS**  trans64.3165.917600000117.9
159S31.4Very low36.4Very low101 Ų101128 Ų12871%0.70680%0.8SS**  cis170.8135.3-37.9-170.20000107.6
160C31.1Very low36.2Very low124 Ų124130.9 Ų130.984%0.83881%0.805SS**  trans64.7130.1157.9-67.90000123.9
161R42.7Very low36.4Very low239 Ų239129.2 Ų129.290%0.90281%0.805SS**  trans-56162.3161.5-78.7175.9168.1-121.6-1.6113.6
162P42.7Very low36.4Very low126 Ų126132.6 Ų132.682%0.81881%0.814SS**  -160.8176.768.443.5-21.1000121.4
163S30.7Very low37Very low103 Ų103131.4 Ų131.472%0.7280%0.804SS**  trans99.3132.9139-1530000123.8
164S32.1Very low37Very low108 Ų108134.5 Ų134.576%0.75580%0.802SS**  trans67.9138.914146.70000125.1
165Q37.6Very low36.1Very low180 Ų180137 Ų13784%0.84180%0.803SS**  trans-75.6-164.1169.2-43.7-162.3-25.500112.8
166P52.8Low36.2Very low108 Ų108136.8 Ų136.870%0.70180%0.8SS**  cis-130.7-166.6-17.638.9-20.2000112.6
167I32.7Very low36.6Very low168 Ų168134.2 Ų134.286%0.86279%0.787SS**  trans178.8159.9137.4-96160.3000112.3
168M35.9Very low36.7Very low179 Ų179137.3 Ų137.388%0.88279%0.788SS**  trans-142.8138.1-161.7172.5166.155.900112.4
169S33.2Very low37.3Very low111 Ų111140.3 Ų140.378%0.77678%0.781SS**  trans-161.7110.4165.541.70000108.7
170Q33.8Very low38Very low190 Ų190141.4 Ų141.489%0.88879%0.787SS**  88.598.361.1-166.5-159.4116.700113.6
171S33Very low38.2Very low115 Ų115140.8 Ų140.880%0.80478%0.784SS**  trans-162.7146136.6540000111.6
172L35Very low38Very low169 Ų169137.2 Ų137.289%0.88578%0.781SS**  trans-123.7-177.9178-122.580.2000107.1
173P47.6Very low38Very low100 Ų100136.8 Ų136.865%0.64978%0.781SS**  cis-139.9-173.5-0.139.5-19.6000117.1
174K34.4Very low38.2Very low184 Ų184135.3 Ų135.380%0.878%0.783SS**  trans75.2143.2154.2-93.1161.8165.3172.40118.5
175E31.6Very low39.1Very low177 Ų177139.5 Ų139.583%0.82779%0.79SS**  cis-152.41683.9-158.2169.6140.300110.4
176G36.6Very low39.1Very low63 Ų63134.7 Ų134.765%0.64979%0.788SS**  trans-95.7-151.2178.800000114.3
177P46.6Very low39.1Very low100 Ų100135 Ų13565%0.64979%0.793SS**  cis-145.5157-12.343.1-24.6000118
178D35.6Very low39.8Very low133 Ų133134.3 Ų134.371%0.71179%0.791SS**  trans52173155.7-25.7-56.2000125.7
179K46Very low40Very low169 Ų169132.1 Ų132.174%0.73578%0.782SS**  trans79.2139.715450.7-114.6145.2-160.10123.8
180C46.3Very low40.7Very low124 Ų124131.8 Ų131.884%0.83878%0.78SS**  trans-90.8156.6-178.7-45.10000113.4
181S35.7Very low41.4Very low111 Ų111130.4 Ų130.478%0.77678%0.777SS**  trans176.4123.8149.8-81.60000109.5
182I38Very low42.3Very low163 Ų163130 Ų13084%0.83677%0.774SS**  83.511878.7-88.1177.6000115.9
183S42.3Very low43.2Very low117 Ų117132.4 Ų132.482%0.81877%0.772SS**  trans55.7145.8147.2-157.30000123
184G34.8Very low43.5Very low73 Ų73136 Ų13675%0.75378%0.779SS**  trans173.284.9165.700000114.6
185H51.8Low43.6Very low195 Ų195132.8 Ų132.890%0.90378%0.78SS**  trans-73.4147.4166.5-80.6-96.1000111.3
186G38.4Very low44.4Very low79 Ų79129.4 Ų129.481%0.81478%0.776SS**  trans-149.6104.9172.100000113
187S51.5Low45Very low114 Ų114134.3 Ų134.380%0.79779%0.786SS**  trans-97.3159.4165-60.90000109.8
188L48.5Very low45.3Very low155 Ų155137.7 Ų137.781%0.81279%0.791SS**  177.5136.3129.6-95.3167.9000115
189N38.8Very low45.5Very low133 Ų133138.5 Ų138.571%0.71180%0.795SS**  trans54.5106143-76.38.2000125.3
190S47.8Very low45.4Very low103 Ų103141.5 Ų141.572%0.7280%0.802SS**  42.3126.2112.871.50000122.2
191I48.3Very low45.2Very low161 Ų161142.8 Ų142.883%0.82680%0.8SS**  trans-134.8130.8148.1-54179000109.4
192S52.9Low45.1Very low107 Ų107144.5 Ų144.575%0.74880%0.8SS**  trans-105.4132.9176.3169.20000110.5
193R52.9Low44.9Very low220 Ų220141.4 Ų141.483%0.8379%0.793SS**  trans-148.5124.2161.4-65.9-164.8178.2-148.9-4.3112.2
194H53.8Low45.2Very low176 Ų176141 Ų14182%0.81579%0.787SS**  trans0.7163.6151.3-38.6-84.6000120.3
195S37.9Very low45.8Very low116 Ų116145.1 Ų145.181%0.81179%0.787SS**  cis-155.8170.720.956.80000113
196S48.6Very low45.5Very low105 Ų105144.3 Ų144.373%0.73479%0.788SS**  trans-91.2145.917751.10000113.4
197L47.9Very low46.1Very low166 Ų166150.4 Ų150.487%0.86979%0.786SS**  trans-135.5106.3149.8-80.5-176.5000112.1
198K53.8Low46.1Very low171 Ų171154.6 Ų154.674%0.74379%0.79SS**  trans-38.6143.2153.941.3137.5161170.90115.2
199N39.6Very low45.7Very low151 Ų151153.7 Ų153.781%0.80779%0.791SS**  -151.5142.2111.3-108.75.9000112.3
200R44.5Very low45.9Very low231 Ų231152 Ų15287%0.87280%0.795SS**  trans-83157.3165.4-64.7179.8173.6-921107.1
201L42.3Very low45.8Very low152 Ų152153.2 Ų153.280%0.79680%0.798SS**  -165.8144.35861.2167.3000111.1
202D32.9Very low45.8Very low147 Ų147150.2 Ų150.279%0.78680%0.798SS**  -177.2179.3105.7-144.2-92.2000110.9
203S34.2Very low45.3Very low98 Ų98147.7 Ų147.769%0.68579%0.789SS**  trans-160.9162.9-166.1-162.40000110.5
204P47.6Very low45.4Very low108 Ų108147.2 Ų147.270%0.70179%0.787SS**  cis-133.41733.439.8-21.9000116.3
205Q47.6Very low44.9Very low160 Ų160143.8 Ų143.875%0.74878%0.783SS**  trans40.6101153.6-69.3-172-0.300121.1
206I46.8Very low45.7Very low178 Ų178146.3 Ų146.391%0.91378%0.779SS**  trans-120.8138.4131.7-63.7-178.2000108.3
207R50.7Low45.6Very low206 Ų206144.1 Ų144.178%0.77776%0.764SS**  trans-85.2154.8-168.4-63.9175.6177.8170-1.6112.3
208K51.5Low45.8Very low202 Ų202146 Ų14688%0.87877%0.765SS**  trans75.889.6166.8-62.3-177.5174.7-177.40116A210K208-A210 PolarHBondContact O-N 2.76Å
209T40.5Very low45.9Very low137 Ų137144.8 Ų144.884%0.8477%0.767SS**  trans-49.8113.315749.30000112.2
210A42.1Very low46Very low96 Ų96144 Ų14479%0.79376%0.762SS**  trans-69123.814100000106.4K208 A212K208-A210 PolarHBondContact O-N 2.76Å; A210-A212 PolarHBondContact O-N 2.82Å; A210-A212 VanDerWaalsContact O-N 3.09Å
211T44.9Very low46.7Very low129 Ų129141.6 Ų141.679%0.79176%0.761SS**  trans-68112.7174.3-167.40000107.4G213T211-G213 PolarHBondContact O-N 2.98Å
212A49.3Very low48.1Very low98 Ų98144.3 Ų144.381%0.8176%0.761SS**  trans-68.982.7170.500000107.2A210 R214A210-A212 PolarHBondContact O-N 2.82Å; A210-A212 VanDerWaalsContact O-N 3.09Å; A212-R214 PolarHBondContact O-N 3Å
213G42.5Very low49.7Very low54 Ų54142.7 Ų142.756%0.55776%0.758SS**  trans-58.2107-179.400000108.8T211 S215T211-G213 PolarHBondContact O-N 2.98Å; G213-S215 PolarHBondContact O-N 2.93Å
214R53.5Low51.4Low210 Ų210143.6 Ų143.679%0.79275%0.753SS**  trans-65.679.7167.7-178.9-178.1173.3-12210.9108.3A212 K216A212-R214 PolarHBondContact O-N 3Å; R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 3.09Å
215S45.3Very low53Low104 Ų104143 Ų14373%0.72774%0.743SS**  trans-70.385.1179.141.70000109.8G213 S217G213-S215 PolarHBondContact O-N 2.93Å; S215-S217 PolarHBondContact O-N 2.88Å
216K54.3Low54.7Low170 Ų170139.7 Ų139.774%0.73974%0.736SS**  trans-63.183.2148.9-80.5-170.4169.5-167.80107.7R214R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 3.09Å
217S46.3Very low56.7Low59 Ų59138 Ų13841%0.41372%0.724SS.*  trans-135.856.4176.3-171.60000111S215 N219S215-S217 PolarHBondContact O-N 2.88Å; S217-N219 PolarHBondContact O-N 2.85Å
218F52.4Low58.5Low205 Ų205132 Ų13290%0.89971%0.711SS**THydrogen-bonded Turntrans-60.8128149.1-66.3-84.2000107
219N54.2Low60.2Low145 Ų145126.4 Ų126.478%0.77569%0.689SS**THydrogen-bonded Turntrans75.750.9176-155.955.2000118.2S217S217-N219 PolarHBondContact O-N 2.85Å
220N43.3Very low62.7Low134 Ų134121.9 Ų121.972%0.71767%0.666SS**  trans-139.857.7153.9-76.5-67.3000111.6R222N220-R222 PolarHBondContact O-N 3.33Å
221H59.5Low65.2Low181 Ų181123.8 Ų123.884%0.83866%0.658SS**  trans-76.283.1162-66-74.3000108.5P223H221-P223 WeakPolarHBondContact O-CD 3.41Å
222R70Confident67.6Low210 Ų210122.9 Ų122.979%0.79265%0.648SS**PPolyproline II helixtrans-63.4122153.7-170.8177.4-168.2-125.7-0.3105.1N220 M224N220-R222 PolarHBondContact O-N 3.33Å; R222-M224 HydrophobicContact CB-CE 4.5Å; R222-M224 WeakPolarHBondContact O-CE 3.5Å; R222-M224 PolarHBondContact O-N 3.32Å; R222-M224 VanDerWaalsContact O-N 3.15Å
223P66.6Low69.7Low112 Ų112123.2 Ų123.273%0.72764%0.636SS**PPolyproline II helixtrans-55.4127.1173.523.1-31.8000107.5H221H221-P223 WeakPolarHBondContact O-CD 3.41Å
224M70.3Confident72.2Confident118 Ų118126.2 Ų126.258%0.58164%0.635SS**PPolyproline II helixtrans-63.9138.7169.8-69.5-63.595.900107.4R222 I229R222-M224 HydrophobicContact CB-CE 4.5Å; R222-M224 WeakPolarHBondContact O-CE 3.5Å; R222-M224 PolarHBondContact O-N 3.32Å; R222-M224 VanDerWaalsContact O-N 3.15Å; M224-I229 HydrophobicContact CB-CD1 3.95Å; M224-I229 HydrophobicContact CB-CG1 4.05Å
225D82.5Confident74.2Confident94 Ų94119 Ų11950%0.50362%0.62SS.*PPolyproline II helixtrans-61125.6179.2-167.2-19.8000108.3E227 V228 I229D225-E227 PolarHBondContact O-N 3.17Å; D225-E227 VanDerWaalsContact O-N 3.1Å; D225-E227 PolarHBondContact OD1-N 3.35Å; D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 3.95Å; D225-V228 PolarHBondContact O-N 3.35Å; D225-I229 PolarHBondContact O-N 2.96Å; D225-I229 VanDerWaalsContact O-N 3.16Å
226P82.2Confident76.6Confident92 Ų92118.1 Ų118.160%0.59761%0.611SS**Hα-helixtrans-53.1-30.7178.121-34.2000112.5V228 I229 A230P226-V228 PolarHBondContact O-N 2.79Å; P226-I229 PolarHBondContact O-N 3.48Å; P226-A230 WeakPolarHBondContact O-CB 3.34Å; P226-A230 PolarHBondContact O-N 3.38Å
227E88.3Confident78.6Confident141 Ų141114.9 Ų114.966%0.65960%0.6SS**Hα-helixtrans-65.9-37.5177.4-142.274.7171.600112.3D225 Q231D225-E227 PolarHBondContact O-N 3.17Å; D225-E227 VanDerWaalsContact O-N 3.1Å; D225-E227 PolarHBondContact OD1-N 3.35Å; E227-Q231 VanDerWaalsContact O-CB 3.26Å; E227-Q231 WeakPolarHBondContact O-CB 3.27Å; E227-Q231 PolarHBondContact O-N 3.13Å
228V88.7Confident81Confident81 Ų81116.2 Ų116.249%0.49160%0.602SS.*Hα-helixtrans-71.9-36.2177175.50000110.7D225 P226 D232D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 3.95Å; D225-V228 PolarHBondContact O-N 3.35Å; P226-V228 PolarHBondContact O-N 2.79Å; V228-D232 WeakPolarHBondContact O-CB 3.36Å; V228-D232 PolarHBondContact O-N 2.9Å
229I88.3Confident83.1Confident85 Ų85109.3 Ų109.344%0.43658%0.579SS.*Hα-helixtrans-65.3-47.5174.5-62.7166.1000110M224 D225 P226 Q231 D232 I233M224-I229 HydrophobicContact CB-CD1 3.95Å; M224-I229 HydrophobicContact CB-CG1 4.05Å; D225-I229 PolarHBondContact O-N 2.96Å; D225-I229 VanDerWaalsContact O-N 3.16Å; P226-I229 PolarHBondContact O-N 3.48Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.5Å; I229-D232 PolarHBondContact O-N 3.14Å; I229-I233 HydrophobicContact CG2-CD1 3.8Å; I229-I233 VanDerWaalsContact O-CG1 3.27Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.45Å
230A91.8Very high85Confident41 Ų41104.6 Ų104.634%0.33956%0.56SS.*Hα-helixtrans-59.4-45.5176.400000111.5P226 D232 I233 E234P226-A230 WeakPolarHBondContact O-CB 3.34Å; P226-A230 PolarHBondContact O-N 3.38Å; A230-D232 PolarHBondContact O-N 3.12Å; A230-I233 PolarHBondContact O-N 3.17Å; A230-E234 WeakPolarHBondContact O-CB 3.24Å; A230-E234 WeakPolarHBondContact O-CG 3.46Å; A230-E234 PolarHBondContact O-N 2.71Å
231Q94.9Very high87.5Confident136 Ų136101.7 Ų101.764%0.63655%0.545SS*.Hα-helixtrans-64.3-36.7179.1-170.8170.534.200113.3E227 I229 A235E227-Q231 VanDerWaalsContact O-CB 3.26Å; E227-Q231 WeakPolarHBondContact O-CB 3.27Å; E227-Q231 PolarHBondContact O-N 3.13Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.5Å; Q231-A235 VanDerWaalsContact O-CB 3.26Å; Q231-A235 WeakPolarHBondContact O-CB 3.08Å; Q231-A235 PolarHBondContact O-N 3.34Å
232D94.8Very high89.2Confident110 Ų11098.1 Ų98.159%0.58853%0.531SS*.Hα-helixtrans-71.1-38.1176.7-164.151.4000111.9V228 I229 A230 A235 T236V228-D232 WeakPolarHBondContact O-CB 3.36Å; V228-D232 PolarHBondContact O-N 2.9Å; I229-D232 PolarHBondContact O-N 3.14Å; A230-D232 PolarHBondContact O-N 3.12Å; D232-A235 PolarHBondContact O-N 2.8Å; D232-T236 VanDerWaalsContact O-CB 3.28Å; D232-T236 WeakPolarHBondContact O-CB 3.44Å; D232-T236 PolarHBondContact O-N 3.19Å; D232-T236 PolarHBondContact O-OG1 3.32Å
233I95.1Very high90.4Very high106 Ų10693.5 Ų93.554%0.54452%0.519SS..Hα-helixtrans-63.1-47.8172-68165.8000110.5I229 A230 T236 M237I229-I233 HydrophobicContact CG2-CD1 3.8Å; I229-I233 VanDerWaalsContact O-CG1 3.27Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.45Å; A230-I233 PolarHBondContact O-N 3.17Å; I233-T236 PolarHBondContact O-N 3Å; I233-M237 WeakPolarHBondContact O-CB 3.31Å; I233-M237 PolarHBondContact O-N 3Å
234E94.6Very high91.7Very high116 Ų11693.3 Ų93.354%0.54251%0.511SS..Hα-helixtrans-61.9-43.9176.8-76.7-178.4-164.400111.9A230 M237 N238A230-E234 WeakPolarHBondContact O-CB 3.24Å; A230-E234 WeakPolarHBondContact O-CG 3.46Å; A230-E234 PolarHBondContact O-N 2.71Å; E234-M237 PolarHBondContact O-N 2.62Å; E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 PolarHBondContact O-N 3.29Å; E234-N238 PolarHBondContact O-ND2 2.91Å
235A94.8Very high92.7Very high58 Ų5894.8 Ų94.848%0.47951%0.51SS..Hα-helixtrans-62.2-44.7176.900000111.7Q231 D232 N238 S239Q231-A235 VanDerWaalsContact O-CB 3.26Å; Q231-A235 WeakPolarHBondContact O-CB 3.08Å; Q231-A235 PolarHBondContact O-N 3.34Å; D232-A235 PolarHBondContact O-N 2.8Å; A235-N238 PolarHBondContact O-N 2.93Å; A235-S239 PolarHBondContact O-N 2.95Å
236T96.4Very high93Very high87 Ų8793.6 Ų93.653%0.53450%0.502SS..Hα-helixtrans-63.3-46.9177.8-60.10000111.5D232 I233 N238 S239 A240D232-T236 VanDerWaalsContact O-CB 3.28Å; D232-T236 WeakPolarHBondContact O-CB 3.44Å; D232-T236 PolarHBondContact O-N 3.19Å; D232-T236 PolarHBondContact O-OG1 3.32Å; I233-T236 PolarHBondContact O-N 3Å; T236-N238 PolarHBondContact O-N 2.87Å; T236-S239 PolarHBondContact O-N 2.96Å; T236-A240 PolarHBondContact O-N 2.88Å
237M96.8Very high93.3Very high102 Ų10294 Ų9450%0.50250%0.499SS..Hα-helixtrans-61.6-43.7176.6-177.8-179.464.900111.6I233 E234 S239 A240 L241I233-M237 WeakPolarHBondContact O-CB 3.31Å; I233-M237 PolarHBondContact O-N 3Å; E234-M237 PolarHBondContact O-N 2.62Å; M237-S239 PolarHBondContact O-N 2.76Å; M237-A240 PolarHBondContact O-N 2.98Å; M237-L241 HydrophobicContact CG-CD1 3.89Å; M237-L241 HydrophobicContact CG-CG 4.35Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.5Å
238N95.9Very high92.9Very high86 Ų8694 Ų9446%0.4650%0.498SS..Hα-helixtrans-65.4-36.2177.3-81.4-71.4000112.4E234 A235 T236 N242E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 PolarHBondContact O-N 3.29Å; E234-N238 PolarHBondContact O-ND2 2.91Å; A235-N238 PolarHBondContact O-N 2.93Å; T236-N238 PolarHBondContact O-N 2.87Å; N238-N242 VanDerWaalsContact O-CB 3.3Å; N238-N242 WeakPolarHBondContact O-CB 3.35Å; N238-N242 PolarHBondContact O-N 2.86Å
239S96.1Very high92.5Very high60 Ų6097.7 Ų97.742%0.4250%0.503SS..Hα-helixtrans-61.8-52.2172.3-164.30000111.1A235 T236 M237 L241 N242 E243A235-S239 PolarHBondContact O-N 2.95Å; T236-S239 PolarHBondContact O-N 2.96Å; M237-S239 PolarHBondContact O-N 2.76Å; S239-L241 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 3.38Å; S239-N242 WeakPolarHBondContact O-CA 2.86Å; S239-N242 WeakPolarHBondContact O-CB 3.27Å; S239-N242 PolarHBondContact O-N 3.47Å; S239-E243 PolarHBondContact O-N 3.42Å; S239-E243 PolarHBondContact OG-OE1 3.37Å; S239-E243 VanDerWaalsContact OG-OE1 3.09Å
240A95.2Very high91.8Very high46 Ų4698.8 Ų98.838%0.3851%0.507SS..Hα-helixtrans-59.5-42.7179.700000112.4T236 M237 N242 E243 L244T236-A240 PolarHBondContact O-N 2.88Å; M237-A240 PolarHBondContact O-N 2.98Å; A240-N242 VanDerWaalsContact C-N 3.27Å; A240-N242 PolarHBondContact O-N 3.37Å; A240-E243 PolarHBondContact O-N 3.1Å; A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.15Å; A240-L244 PolarHBondContact O-N 3.34Å
241L95.9Very high90.4Very high74 Ų74101.1 Ų101.139%0.38752%0.521SS..Hα-helixtrans-68.5-23175.3-70.3174000113.4M237 S239 R245M237-L241 HydrophobicContact CG-CD1 3.89Å; M237-L241 HydrophobicContact CG-CG 4.35Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.5Å; S239-L241 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 3.38Å; L241-R245 WeakPolarHBondContact O-CG 3.43Å; L241-R245 PolarHBondContact O-N 2.96Å; L241-R245 PolarHBondContact O-NE 3.38Å
242N95.3Very high88.6Confident105 Ų10598.7 Ų98.756%0.56152%0.519SS*.Hα-helixtrans-81.4-41.6174.1-170.669.4000111.2N238 S239 A240 R245 E246N238-N242 VanDerWaalsContact O-CB 3.3Å; N238-N242 WeakPolarHBondContact O-CB 3.35Å; N238-N242 PolarHBondContact O-N 2.86Å; S239-N242 WeakPolarHBondContact O-CA 2.86Å; S239-N242 WeakPolarHBondContact O-CB 3.27Å; S239-N242 PolarHBondContact O-N 3.47Å; A240-N242 VanDerWaalsContact C-N 3.27Å; A240-N242 PolarHBondContact O-N 3.37Å; N242-R245 PolarHBondContact O-N 3.07Å; N242-E246 PolarHBondContact O-N 3.18Å
243E94.3Very high86.7Confident114 Ų11499 Ų9953%0.53352%0.524SS..Hα-helixtrans-60.9-44.8172.8-72.5173.1-121.500111.6S239 A240 R245 E246 L247S239-E243 PolarHBondContact O-N 3.42Å; S239-E243 PolarHBondContact OG-OE1 3.37Å; S239-E243 VanDerWaalsContact OG-OE1 3.09Å; A240-E243 PolarHBondContact O-N 3.1Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3.02Å; E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.04Å
244L93.9Very high84.9Confident108 Ų108102.9 Ų102.957%0.56554%0.537SS*.Hα-helixtrans-59.4-41174.8-74.9169.9000112.7A240 L247 E248A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.15Å; A240-L244 PolarHBondContact O-N 3.34Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-E248 PolarHBondContact O-N 2.83Å
245R90.6Very high82.8Confident149 Ų149105.4 Ų105.456%0.56255%0.548SS*.Hα-helixtrans-68-36.8177.2-82.1179.8-81.7-162.3-2.6112.7L241 N242 E243 R249L241-R245 WeakPolarHBondContact O-CG 3.43Å; L241-R245 PolarHBondContact O-N 2.96Å; L241-R245 PolarHBondContact O-NE 3.38Å; N242-R245 PolarHBondContact O-N 3.07Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.16Å; R245-R249 WeakPolarHBondContact O-CB 3.25Å; R245-R249 PolarHBondContact O-N 3.07Å; R245-R249 VanDerWaalsContact O-N 3.15Å
246E90.2Very high80.6Confident68 Ų68108 Ų10832%0.31856%0.559SS.*Hα-helixtrans-72.3-36173.7-178.955.9-15700111.8N242 E243 R249 Q250N242-E246 PolarHBondContact O-N 3.18Å; E243-E246 PolarHBondContact O-N 3.02Å; E246-R249 WeakPolarHBondContact O-CB 3.29Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE1-CZ 3.34Å; E246-R249 IonicContact OE1-NE 3.64Å; E246-R249 IonicContact OE1-NH2 3.5Å; E246-R249 PolarHBondContact OE1-NH2 2.91Å; E246-R249 IonicContact OE2-CZ 3.23Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 PolarHBondContact OE2-NE 2.78Å; E246-R249 IonicContact OE2-NH2 3.83Å; E246-R249 PolarHBondContact OE2-NH2 3.26Å; E246-Q250 WeakPolarHBondContact O-CG 3.44Å; E246-Q250 PolarHBondContact O-N 3.25Å; E246-Q250 PolarHBondContact OE1-NE2 2.83Å
247L87Confident78.4Confident102 Ų102108.1 Ų108.153%0.53456%0.561SS.*Hα-helixtrans-63.6-41.2172.9-74.4170.1000112.2E243 L244 R249 Q250 S251E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 3.16Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 2.79Å; L247-Q250 PolarHBondContact O-N 3.41Å; L247-S251 WeakPolarHBondContact O-CB 3.29Å; L247-S251 PolarHBondContact O-N 3.44Å; L247-S251 PolarHBondContact O-OG 2.93Å
248E80.8Confident76.6Confident139 Ų139109.9 Ų109.965%0.6557%0.572SS**Hα-helixtrans-59.3-46.3172.6-172-178.2170.800110.6L244 Q250 S251 S252L244-E248 PolarHBondContact O-N 2.83Å; E248-Q250 VanDerWaalsContact C-N 3.29Å; E248-Q250 PolarHBondContact O-N 2.85Å; E248-S251 WeakPolarHBondContact CA-OG 3.1Å; E248-S251 PolarHBondContact O-N 2.78Å; E248-S251 PolarHBondContact O-OG 2.95Å; E248-S252 PolarHBondContact O-N 3.21Å
249R80.8Confident75.1Confident159 Ų159111.2 Ų111.260%0.658%0.583SS**Hα-helixtrans-59.9-37.9177.1-146.5-176.965.86912.3112.2R245 E246 L247 S252R245-R249 WeakPolarHBondContact O-CB 3.25Å; R245-R249 PolarHBondContact O-N 3.07Å; R245-R249 VanDerWaalsContact O-N 3.15Å; E246-R249 WeakPolarHBondContact O-CB 3.29Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE1-CZ 3.34Å; E246-R249 IonicContact OE1-NE 3.64Å; E246-R249 IonicContact OE1-NH2 3.5Å; E246-R249 PolarHBondContact OE1-NH2 2.91Å; E246-R249 IonicContact OE2-CZ 3.23Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 PolarHBondContact OE2-NE 2.78Å; E246-R249 IonicContact OE2-NH2 3.83Å; E246-R249 PolarHBondContact OE2-NH2 3.26Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 2.79Å; R249-S252 PolarHBondContact O-OG 2.89Å
250Q72.4Confident73.3Confident109 Ų109113.4 Ų113.451%0.50959%0.594SS.*Hα-helixtrans-76.2-35.7176-69.4176.418.800112.8E246 L247 E248 S252 V253E246-Q250 WeakPolarHBondContact O-CG 3.44Å; E246-Q250 PolarHBondContact O-N 3.25Å; E246-Q250 PolarHBondContact OE1-NE2 2.83Å; L247-Q250 PolarHBondContact O-N 3.41Å; E248-Q250 VanDerWaalsContact C-N 3.29Å; E248-Q250 PolarHBondContact O-N 2.85Å; Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 3.06Å; Q250-V253 PolarHBondContact O-N 2.93Å
251S62.8Low71.7Confident90 Ų90119 Ų11963%0.62962%0.617SS**Hα-helixtrans-69.6-21.2179.475.90000114.3L247 E248 V253L247-S251 WeakPolarHBondContact O-CB 3.29Å; L247-S251 PolarHBondContact O-N 3.44Å; L247-S251 PolarHBondContact O-OG 2.93Å; E248-S251 WeakPolarHBondContact CA-OG 3.1Å; E248-S251 PolarHBondContact O-N 2.78Å; E248-S251 PolarHBondContact O-OG 2.95Å; S251-V253 PolarHBondContact O-N 3.48Å
252S57.5Low69.8Low85 Ų85121.7 Ų121.759%0.59463%0.631SS**THydrogen-bonded Turntrans-64.9-12.4174.674.40000114.6E248 R249 Q250 K254E248-S252 PolarHBondContact O-N 3.21Å; R249-S252 PolarHBondContact O-OG 2.89Å; Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 3.06Å; S252-K254 PolarHBondContact O-N 3.49Å
253V54.7Low68Low115 Ų115122 Ų12270%0.69764%0.637SS**SBendtrans-73.291.3171.3-178.50000108.7Q250 S251 H255Q250-V253 PolarHBondContact O-N 2.93Å; S251-V253 PolarHBondContact O-N 3.48Å; V253-H255 PolarHBondContact O-N 3.49Å
254K57.4Low66.1Low189 Ų189125 Ų12582%0.82266%0.656SS**  trans-49.4101.6177-67.4-176.3176.5-175.30111.8S252S252-K254 PolarHBondContact O-N 3.49Å
255H50.6Low64.3Low168 Ų168127.8 Ų127.878%0.77867%0.666SS**  trans-102.163.3162.2-16638.9000111.1V253 P257V253-H255 PolarHBondContact O-N 3.49Å; H255-P257 WeakPolarHBondContact O-CD 3.38Å
256T47.2Very low62.6Low114 Ų114126.5 Ų126.570%0.69968%0.677SS**  trans-82.8111147.544.50000106.6D258T256-D258 PolarHBondContact O-N 2.96Å; T256-D258 VanDerWaalsContact O-N 3.12Å
257P51.8Low60.5Low89 Ų89131.6 Ų131.658%0.57871%0.705SS**  trans-59.9118.5162.826.1-31.6000107.1H255 V259H255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-V259 PolarHBondContact O-N 3.34Å
258D57.4Low58.7Low138 Ų138136.1 Ų136.174%0.73872%0.721SS**  trans-64.1101.4173.8-17111.3000107.3T256 V260T256-D258 PolarHBondContact O-N 2.96Å; T256-D258 VanDerWaalsContact O-N 3.12Å; D258-V260 PolarHBondContact O-N 2.98Å
259V64.6Low56.8Low115 Ų115136.7 Ų136.770%0.69773%0.734SS**  trans-75.980.6174.2-175.20000106.1P257 L261P257-V259 PolarHBondContact O-N 3.34Å; V259-L261 PolarHBondContact O-N 3.38Å
260V58.5Low54.6Low105 Ų105134.2 Ų134.264%0.63674%0.741SS**  trans-55.6106.1168-1690000106D258 D262D258-V260 PolarHBondContact O-N 2.98Å; V260-D262 PolarHBondContact O-N 3.2Å
261L61.2Low53.7Low164 Ų164134.3 Ų134.386%0.85975%0.751SS**  trans-68.186.4169.7-75.7170.9000106.4V259V259-L261 PolarHBondContact O-N 3.38Å
262D57.3Low52.4Low130 Ų130136 Ų13670%0.69576%0.758SS**  trans-58.8140.6-175.6-162.1-0.9000109.9V260 L264V260-D262 PolarHBondContact O-N 3.2Å; D262-L264 PolarHBondContact O-N 3.32Å
263T57.5Low51.7Low112 Ų112138.2 Ų138.269%0.68777%0.767SS**  trans-53.1100.8-168.29.60000113E265T263-E265 PolarHBondContact O-N 3.24Å
264L54.6Low50.9Low178 Ų178136.9 Ų136.993%0.93277%0.768SS**  trans-78.1102.6155.9-71.9-175.6000108.7D262D262-L264 PolarHBondContact O-N 3.32Å
265E55.7Low50.4Low165 Ų165133.9 Ų133.977%0.77177%0.768SS**  trans-65.4154-173.1-64.5-172.7136.500114.3T263 L267T263-E265 PolarHBondContact O-N 3.24Å; E265-L267 PolarHBondContact O-N 3.47Å
266P54.1Low49.9Very low122 Ų122132.2 Ų132.279%0.79277%0.769SS**  trans-87.9113.4-171.333.4-34.3000113.4
267L46.8Very low49.7Very low175 Ų175131.9 Ų131.992%0.91677%0.772SS**  trans-98.998.1167.8-70.5179.1000112.3E265E265-L267 PolarHBondContact O-N 3.47Å
268K49.7Very low49.4Very low198 Ų198135.1 Ų135.186%0.86178%0.779SS**  trans-12.6124.3159.2-70.5166.3167.81710116.3
269T39.3Very low49.1Very low151 Ų151135 Ų13593%0.92679%0.786SS**  -148.4163.411342.40000109.9
270S34.9Very low48Very low106 Ų106133.2 Ų133.274%0.74178%0.779SS**  trans-132.5174-166.4-1790000108.3
271P54.4Low47.1Very low111 Ų111133.2 Ų133.272%0.72178%0.783SS**  cis-117.9-151.9-42.828.8-10.4000110.2
272V36.1Very low46.6Very low127 Ų127130.9 Ų130.977%0.7778%0.778SS**  trans119.3105.1149.7179.70000117
273V41.8Very low46.2Very low131 Ų131132.5 Ų132.579%0.79479%0.786SS**  trans85.9122.2141.8170.70000122.7
274A38.1Very low45.3Very low86 Ų86135.2 Ų135.271%0.71179%0.79SS**  trans70.1133.7148.400000122.2
275P46.5Very low44.8Very low126 Ų126132 Ų13282%0.81878%0.778SS**  trans-101.7124.8167.536.4-27.7000113.2
276T40.6Very low44.4Very low133 Ų133132 Ų13282%0.81678%0.778SS**  trans-148.1134.8155560000105.5
277S41.9Very low44.1Very low107 Ų107133.3 Ų133.375%0.74878%0.778SS**  cis-157.3149.135-45.60000111.6
278E46.8Very low44.3Very low158 Ų158132.7 Ų132.774%0.73877%0.774SS**  trans-71.1167.6146-73-170.1101.700109.5
279P51.5Low44.1Very low134 Ų134131.4 Ų131.487%0.8777%0.769SS**  -133.514699.536-27.3000113.6
280S41.1Very low44.3Very low79 Ų79132 Ų13255%0.55277%0.766SS**  trans-117.8136.6-173.1-165.30000111.9
281S39.9Very low45.5Very low104 Ų104132 Ų13273%0.72776%0.764SS**  trans73.3-176147.2-51.90000117.3
282P49.9Very low44.9Very low115 Ų115135.2 Ų135.275%0.74777%0.769SS**  -137.8-174.1-106.336.8-12.7000116
283L48.5Very low46.1Very low164 Ų164135 Ų13586%0.85977%0.771SS**  trans11.8116.7158.5-63.6172.7000120
284H39.3Very low46.7Very low169 Ų169136.8 Ų136.878%0.78280%0.799SS**  trans-154155.5141.8-136.866.2000116.2
285T43.5Very low47.2Very low111 Ų111139.3 Ų139.368%0.68180%0.803SS**  trans-98.9153.5176.846.70000112.4
286Q46.8Very low47.2Very low165 Ų165140 Ų14077%0.77180%0.803SS**  trans146.1124.8153.7-83.7170.890.100109.4
287L49.1Very low47.6Very low149 Ų149140.4 Ų140.478%0.7880%0.802SS**  83.4114.960.5-163.9159.3000112.3
288L50.4Low47.9Very low162 Ų162142.4 Ų142.485%0.84881%0.805SS**  trans161114.6166.1-89.2160000104.5
289K46Very low48Very low172 Ų172141.4 Ų141.475%0.74881%0.809SS**  cis70.5102.141-170.780.180.5175.40113.8
290D42.6Very low47.7Very low163 Ų163141.9 Ų141.987%0.87281%0.805SS**  trans-161.3138139.6-114.7-25.2000112.8
291P60.2Low48.2Very low107 Ų107146.4 Ų146.470%0.69582%0.823SS**  trans-137.5131.7160.336.2-19.9000113.6
292E43.4Very low48.8Very low177 Ų177149.6 Ų149.683%0.82783%0.831SS**  trans-150.8137.6158.4-154.2-168.1146.900112.8
293P59.8Low48.8Very low123 Ų123152.5 Ų152.580%0.79984%0.837SS**  trans-114.1142.7159.336.8-25.9000112.7
294A55.6Low48.8Very low168 Ų168151.5 Ų151.5100%1.38884%0.836SS**  trans-145.70162.500000110.1

Retrieved 294 of 294 residues in 152 ms (Link to these results)