A0A077Z2C2_TRITR Loading...

Probable kinetochore protein NDC80

AlphaFold DB , UniProt , Accession A0A077Z2C2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 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
1M52.9Low84.2Confident238 Ų238118.2 Ų118.2100%1.17263%0.629SS**  0113.50-92.1166.970.700107.7
2I71.7Confident85.2Confident159 Ų159118.6 Ų118.682%0.81562%0.622SS**PPolyproline II helixtrans-73.9127170-60172000105.8T4I2-T4 PolarHBondContact O-N 3.11Å
3P73.6Confident86Confident79 Ų79121.8 Ų121.851%0.51362%0.621SS.*PPolyproline II helixtrans-51126.7170.6-22.731.9000109T7 L8P3-T7 WeakPolarHBondContact CA-OG1 3.46Å; P3-T7 VanDerWaalsContact CB-OG1 3.31Å; P3-T7 WeakPolarHBondContact CB-OG1 3.24Å; P3-L8 HydrophobicContact CB-CD2 4.24Å; P3-L8 HydrophobicContact CB-CG 4.17Å
4T86.6Confident86.7Confident76 Ų76119.6 Ų119.647%0.46661%0.606SS.*PPolyproline II helixtrans-67154.517362.60000109I2 E6 T7 L8I2-T4 PolarHBondContact O-N 3.11Å; T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 VanDerWaalsContact O-N 3.08Å; T4-T7 PolarHBondContact N-OG1 3.46Å; T4-T7 PolarHBondContact O-N 3.2Å; T4-T7 PolarHBondContact O-OG1 3.25Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.37Å; T4-L8 PolarHBondContact O-N 3.01Å
5L86.4Confident87.3Confident150 Ų150116.7 Ų116.779%0.78559%0.59SS**Hα-helixtrans-51-34.6174.9-172.471.3000112.1L8 S9L5-L8 PolarHBondContact O-N 3.43Å; L5-S9 PolarHBondContact O-N 3.29Å
6E89.4Confident87.9Confident150 Ų150113.6 Ų113.670%0.70158%0.578SS**Hα-helixtrans-62.6-45.7174.9-64.3176.7164.600112.6T4 L8 S9 M10T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 VanDerWaalsContact O-N 3.08Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.98Å; E6-S9 PolarHBondContact O-N 3Å; E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.29Å
7T91.4Very high88.5Confident57 Ų57114.7 Ų114.735%0.3557%0.573SS.*Hα-helixtrans-62.6-39.3176.757.80000112P3 T4 M10 L11P3-T7 WeakPolarHBondContact CA-OG1 3.46Å; P3-T7 VanDerWaalsContact CB-OG1 3.31Å; P3-T7 WeakPolarHBondContact CB-OG1 3.24Å; T4-T7 PolarHBondContact N-OG1 3.46Å; T4-T7 PolarHBondContact O-N 3.2Å; T4-T7 PolarHBondContact O-OG1 3.25Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.37Å; T7-M10 PolarHBondContact O-N 3.29Å; T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 2.93Å
8L92Very high89Confident94 Ų94111.6 Ų111.649%0.49256%0.564SS.*Hα-helixtrans-65.4-41.5175.3-69174000111.9P3 T4 L5 E6 L11 K12P3-L8 HydrophobicContact CB-CD2 4.24Å; P3-L8 HydrophobicContact CB-CG 4.17Å; T4-L8 PolarHBondContact O-N 3.01Å; L5-L8 PolarHBondContact O-N 3.43Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.98Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 2.97Å
9S93Very high89.4Confident63 Ų63112.9 Ų112.944%0.44156%0.562SS.*Hα-helixtrans-63.8-42.3176179.90000112.3L5 E6 K12 R13L5-S9 PolarHBondContact O-N 3.29Å; E6-S9 PolarHBondContact O-N 3Å; S9-K12 PolarHBondContact O-N 3.09Å; S9-R13 PolarHBondContact O-N 3.46Å
10M95.1Very high89.8Confident118 Ų118113.4 Ų113.458%0.58156%0.563SS**Hα-helixtrans-62.1-49.9174.1-76.4-17954.800112E6 T7 K12 R13 E14E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.29Å; T7-M10 PolarHBondContact O-N 3.29Å; M10-K12 PolarHBondContact O-N 2.89Å; M10-R13 PolarHBondContact O-N 3.33Å; M10-R13 VanDerWaalsContact O-N 3.15Å; M10-E14 PolarHBondContact O-N 3.43Å
11L94.7Very high90.2Very high116 Ų116112.2 Ų112.261%0.60756%0.558SS**Hα-helixtrans-59.3-37.3177.7-74.7170.9000111.7T7 L8 E14 Q15T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 2.93Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 3.07Å; L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 PolarHBondContact O-N 3.25Å
12K95.2Very high92.3Very high123 Ų123105 Ų10554%0.53552%0.524SS..Hα-helixtrans-66.6-41.6176.7-168.169.4-168.2169.40112.3L8 S9 M10 Q15 V16L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 2.97Å; S9-K12 PolarHBondContact O-N 3.09Å; M10-K12 PolarHBondContact O-N 2.89Å; K12-Q15 PolarHBondContact O-N 2.86Å; K12-V16 WeakPolarHBondContact O-CG2 3.41Å; K12-V16 PolarHBondContact O-N 2.98Å
13R95.5Very high93.6Very high161 Ų161102.6 Ų102.661%0.60851%0.511SS*.Hα-helixtrans-64.3-43175.3-75.5-173.5-71.6174.8-1.5111.9S9 M10 V16 R17S9-R13 PolarHBondContact O-N 3.46Å; M10-R13 PolarHBondContact O-N 3.33Å; M10-R13 VanDerWaalsContact O-N 3.15Å; R13-V16 PolarHBondContact O-N 3.43Å; R13-R17 PolarHBondContact O-N 3.3Å
14E96Very high94.7Very high90 Ų90102.4 Ų102.442%0.42151%0.512SS..Hα-helixtrans-66-41177.2-161.961.7-158.800111.3M10 L11 V16 R17 C18M10-E14 PolarHBondContact O-N 3.43Å; L11-E14 PolarHBondContact O-N 3.07Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 2.99Å; E14-R17 IonicContact OE1-NH1 3.96Å; E14-R17 IonicContact OE2-CZ 3.75Å; E14-R17 IonicContact OE2-NH1 3.32Å; E14-R17 PolarHBondContact OE2-NH1 2.94Å; E14-C18 PolarHBondContact O-N 3.28Å; E14-C18 PolarHBondContact O-SG 3.49Å; E14-C18 VanDerWaalsContact O-SG 3.33Å
15Q96.6Very high95.2Very high77 Ų77104.5 Ų104.536%0.3652%0.52SS..Hα-helixtrans-57.6-45.6173.8-178-176.741.700111.6L11 K12 C18 Y19L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 PolarHBondContact O-N 3.25Å; K12-Q15 PolarHBondContact O-N 2.86Å; Q15-C18 PolarHBondContact O-N 3.41Å; Q15-Y19 HydrophobicContact CG-CD2 3.86Å; Q15-Y19 HydrophobicContact CG-CE2 3.46Å; Q15-Y19 VanDerWaalsContact CG-CE2 3.46Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y19 PolarHBondContact O-N 2.92Å; Q15-Y19 VanDerWaalsContact O-N 3.08Å
16V96.8Very high95.7Very high66 Ų66102.5 Ų102.540%0.451%0.507SS..Hα-helixtrans-62.3-45.8177170.90000110.8K12 R13 E14 C18 Y19 E20K12-V16 WeakPolarHBondContact O-CG2 3.41Å; K12-V16 PolarHBondContact O-N 2.98Å; R13-V16 PolarHBondContact O-N 3.43Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.41Å; V16-C18 PolarHBondContact O-N 3.47Å; V16-Y19 PolarHBondContact O-N 3.38Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; V16-E20 HydrophobicContact CG1-CG 4.49Å; V16-E20 WeakPolarHBondContact O-CG 3.36Å; V16-E20 PolarHBondContact O-N 2.91Å
17R97.4Very high96.1Very high133 Ų133102.2 Ų102.250%0.50250%0.503SS..Hα-helixtrans-58.4-46.9176.6-175-174.2-65.3171.9-3112R13 E14 Y19 E20 D21R13-R17 PolarHBondContact O-N 3.3Å; E14-R17 PolarHBondContact O-N 2.99Å; E14-R17 IonicContact OE1-NH1 3.96Å; E14-R17 IonicContact OE2-CZ 3.75Å; E14-R17 IonicContact OE2-NH1 3.32Å; E14-R17 PolarHBondContact OE2-NH1 2.94Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.5Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-E20 VanDerWaalsContact O-N 3.15Å; R17-D21 PolarHBondContact O-N 2.87Å
18C97.7Very high96.4Very high59 Ų59102.3 Ų102.340%0.39951%0.506SS..Hα-helixtrans-59.7-39.3176.6-68.10000112.1E14 Q15 V16 D21 I22E14-C18 PolarHBondContact O-N 3.28Å; E14-C18 PolarHBondContact O-SG 3.49Å; E14-C18 VanDerWaalsContact O-SG 3.33Å; Q15-C18 PolarHBondContact O-N 3.41Å; V16-C18 PolarHBondContact O-N 3.47Å; C18-D21 PolarHBondContact O-N 3.48Å; C18-I22 WeakPolarHBondContact O-CD1 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.22Å; C18-I22 WeakPolarHBondContact O-CG1 3.47Å; C18-I22 PolarHBondContact O-N 2.92Å
19Y97.8Very high96.7Very high136 Ų136100.6 Ų100.653%0.53350%0.502SS..Hα-helixtrans-66-40.5175.2-76.7-55.4000112.4Q15 V16 R17 I22 I23Q15-Y19 HydrophobicContact CG-CD2 3.86Å; Q15-Y19 HydrophobicContact CG-CE2 3.46Å; Q15-Y19 VanDerWaalsContact CG-CE2 3.46Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y19 PolarHBondContact O-N 2.92Å; Q15-Y19 VanDerWaalsContact O-N 3.08Å; V16-Y19 PolarHBondContact O-N 3.38Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.5Å; Y19-I22 PolarHBondContact O-N 2.96Å; Y19-I23 WeakPolarHBondContact O-CD1 3.44Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.34Å; Y19-I23 PolarHBondContact O-N 2.87Å
20E97Very high96.9Very high123 Ų123104.4 Ų104.458%0.57551%0.51SS*.Hα-helixtrans-62.2-42.6175.1-70.2171.9166.200111.7V16 R17 I23 S24V16-E20 HydrophobicContact CG1-CG 4.49Å; V16-E20 WeakPolarHBondContact O-CG 3.36Å; V16-E20 PolarHBondContact O-N 2.91Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-E20 VanDerWaalsContact O-N 3.15Å; E20-I23 PolarHBondContact O-N 3.01Å; E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.18Å
21D98Very high97Very high88 Ų88103.5 Ų103.547%0.47151%0.508SS..Hα-helixtrans-63.3-43.3176.1-70.9-22.9000111.7R17 C18 S24 L25R17-D21 PolarHBondContact O-N 2.87Å; C18-D21 PolarHBondContact O-N 3.48Å; D21-S24 WeakPolarHBondContact O-CB 3.41Å; D21-S24 PolarHBondContact O-N 3.35Å; D21-L25 WeakPolarHBondContact O-CB 3.36Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 2.95Å
22I97.6Very high97.1Very high86 Ų86102.2 Ų102.244%0.44150%0.501SS..Hα-helixtrans-60.1-47175.4-71.1164.9000110.6C18 Y19 S24 L25 E26C18-I22 WeakPolarHBondContact O-CD1 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.22Å; C18-I22 WeakPolarHBondContact O-CG1 3.47Å; C18-I22 PolarHBondContact O-N 2.92Å; Y19-I22 PolarHBondContact O-N 2.96Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.37Å; I22-L25 PolarHBondContact O-N 3.13Å; I22-E26 HydrophobicContact CG2-CG 4.44Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 3.4Å
23I97.3Very high97.2Very high109 Ų109100.9 Ų100.956%0.55950%0.5SS*.Hα-helixtrans-61-40.9178.4-69.4165.1000110.9Y19 E20 E26 K27Y19-I23 WeakPolarHBondContact O-CD1 3.44Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.34Å; Y19-I23 PolarHBondContact O-N 2.87Å; E20-I23 PolarHBondContact O-N 3.01Å; I23-E26 PolarHBondContact O-N 3.05Å; I23-K27 PolarHBondContact O-N 2.92Å; I23-K27 VanDerWaalsContact O-N 3.07Å
24S97.5Very high97.3Very high76 Ų7695.1 Ų95.153%0.53149%0.486SS..Hα-helixtrans-62.6-46.3176.3-174.50000111.8E20 D21 I22 K27 S28E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.18Å; D21-S24 WeakPolarHBondContact O-CB 3.41Å; D21-S24 PolarHBondContact O-N 3.35Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.37Å; S24-K27 PolarHBondContact O-N 3.15Å; S24-S28 PolarHBondContact O-N 3.4Å
25L97.6Very high97.4Very high119 Ų11998.3 Ų98.362%0.62350%0.496SS*.Hα-helixtrans-63.5-41.3177.2-73.9171.2000112.1D21 I22 K27 S28 S29D21-L25 WeakPolarHBondContact O-CB 3.36Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 2.95Å; I22-L25 PolarHBondContact O-N 3.13Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.89Å; L25-S28 PolarHBondContact O-N 2.89Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.22Å
26E97.1Very high97.4Very high109 Ų10999 Ų9951%0.50950%0.501SS..Hα-helixtrans-61.8-40.1175.7-76.5-174.5166.400112I22 I23 K30I22-E26 HydrophobicContact CG2-CG 4.44Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 3.4Å; I23-E26 PolarHBondContact O-N 3.05Å; E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.43Å
27K96.8Very high97.5Very high143 Ų143100.9 Ų100.962%0.62251%0.506SS*.Hα-helixtrans-65.1-47.8175.5-172.6179.5177.9-176.40111.3I23 S24 L25 S29 K30 D31I23-K27 PolarHBondContact O-N 2.92Å; I23-K27 VanDerWaalsContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 3.15Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.89Å; K27-S29 VanDerWaalsContact C-N 3.31Å; K27-S29 PolarHBondContact O-N 3.01Å; K27-K30 WeakPolarHBondContact O-CB 3.44Å; K27-K30 PolarHBondContact O-N 3.22Å; K27-D31 PolarHBondContact O-N 3.1Å
28S97.4Very high97.4Very high59 Ų59101.9 Ų101.941%0.41351%0.509SS..Hα-helixtrans-59.7-41.6176.7-178.70000112S24 L25 K30 D31 I32S24-S28 PolarHBondContact O-N 3.4Å; L25-S28 PolarHBondContact O-N 2.89Å; S28-K30 PolarHBondContact O-N 3.37Å; S28-D31 PolarHBondContact O-N 3.4Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 2.95Å
29S97.8Very high97.4Very high58 Ų58101.4 Ų101.441%0.40651%0.507SS..Hα-helixtrans-61.6-41.9175.4175.70000112.2L25 K27 I32 N33L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.22Å; K27-S29 VanDerWaalsContact C-N 3.31Å; K27-S29 PolarHBondContact O-N 3.01Å; S29-I32 PolarHBondContact O-N 3.31Å; S29-N33 WeakPolarHBondContact O-CB 3.44Å; S29-N33 VanDerWaalsContact O-CG 3.27Å; S29-N33 PolarHBondContact O-N 3.49Å; S29-N33 PolarHBondContact O-ND2 3.49Å
30K97.4Very high97.4Very high143 Ų14398 Ų9862%0.62250%0.5SS*.Hα-helixtrans-62.2-42.8174.4-75.4172.3-178.4171.80112.2E26 K27 S28 N33 A34E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.43Å; K27-K30 WeakPolarHBondContact O-CB 3.44Å; K27-K30 PolarHBondContact O-N 3.22Å; S28-K30 PolarHBondContact O-N 3.37Å; K30-N33 PolarHBondContact O-N 2.9Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.99Å
31D97.6Very high97.4Very high99 Ų9996.3 Ų96.353%0.52950%0.495SS..Hα-helixtrans-64.5-42178.1-69.3-22.5000111.5K27 S28 A34 Y35K27-D31 PolarHBondContact O-N 3.1Å; S28-D31 PolarHBondContact O-N 3.4Å; D31-A34 PolarHBondContact O-N 3.43Å; D31-Y35 PolarHBondContact O-N 3.34Å
32I97.6Very high97.3Very high90 Ų9098.5 Ų98.546%0.46250%0.502SS..Hα-helixtrans-62.3-46.6174.5-69.3166.1000110.8S28 S29 A34 Y35 L36S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 2.95Å; S29-I32 PolarHBondContact O-N 3.31Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 3.11Å; I32-Y35 WeakPolarHBondContact O-CB 3.41Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.15Å; I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.89Å
33N97.6Very high97.3Very high95 Ų9599.4 Ų99.451%0.50851%0.505SS..Hα-helixtrans-61.9-40.3178.1-73.9-19.3000111.9S29 K30 Y35 L36 Q37S29-N33 WeakPolarHBondContact O-CB 3.44Å; S29-N33 VanDerWaalsContact O-CG 3.27Å; S29-N33 PolarHBondContact O-N 3.49Å; S29-N33 PolarHBondContact O-ND2 3.49Å; K30-N33 PolarHBondContact O-N 2.9Å; N33-Y35 VanDerWaalsContact C-N 3.32Å; N33-Y35 PolarHBondContact O-N 2.9Å; N33-L36 PolarHBondContact O-N 2.85Å; N33-Q37 WeakPolarHBondContact O-CB 3.42Å; N33-Q37 PolarHBondContact O-N 3.09Å
34A97.3Very high97.3Very high40 Ų4098.5 Ų98.533%0.33150%0.501SS..Hα-helixtrans-66.1-33.9175.600000112.6K30 D31 I32 R38K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.99Å; D31-A34 PolarHBondContact O-N 3.43Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 3.11Å; A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.41Å; A34-R38 PolarHBondContact O-NE 2.87Å
35Y97.2Very high97.3Very high156 Ų15696.4 Ų96.461%0.61249%0.491SS*.Hα-helixtrans-68.5-46.8172.7175.2-96.2000111.7D31 I32 N33 Q37 R38 S39D31-Y35 PolarHBondContact O-N 3.34Å; I32-Y35 WeakPolarHBondContact O-CB 3.41Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.15Å; N33-Y35 VanDerWaalsContact C-N 3.32Å; N33-Y35 PolarHBondContact O-N 2.9Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.48Å; Y35-R38 PolarHBondContact O-N 2.66Å; Y35-S39 PolarHBondContact O-N 3.32Å
36L97.7Very high97.3Very high91 Ų9196 Ų9648%0.47649%0.49SS..Hα-helixtrans-59.7-44177.6-72.3173.7000111.5I32 N33 R38 S39 V40I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.89Å; N33-L36 PolarHBondContact O-N 2.85Å; L36-R38 PolarHBondContact O-N 3.4Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 2.9Å; L36-S39 VanDerWaalsContact O-N 3.13Å; L36-V40 WeakPolarHBondContact O-CG2 3.12Å; L36-V40 PolarHBondContact O-N 3.22Å
37Q97.4Very high97.3Very high107 Ų10794.7 Ų94.750%0.548%0.483SS..Hα-helixtrans-60.1-46177.6-171.660.443.600111.7N33 Y35 S39 V40 D41N33-Q37 WeakPolarHBondContact O-CB 3.42Å; N33-Q37 PolarHBondContact O-N 3.09Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.48Å; Q37-S39 VanDerWaalsContact C-N 3.27Å; Q37-S39 PolarHBondContact O-N 2.83Å; Q37-V40 PolarHBondContact O-N 3.48Å; Q37-D41 PolarHBondContact NE2-OD1 2.85Å; Q37-D41 PolarHBondContact O-N 3.29Å
38R97Very high97.4Very high153 Ų15390.2 Ų90.258%0.57747%0.473SS*.Hα-helixtrans-60.6-38.2175.3-74.5-179.2-115.9163.6-4.8112.3A34 Y35 L36 Q42A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.41Å; A34-R38 PolarHBondContact O-NE 2.87Å; Y35-R38 PolarHBondContact O-N 2.66Å; L36-R38 PolarHBondContact O-N 3.4Å; R38-Q42 WeakPolarHBondContact O-CB 3.45Å; R38-Q42 VanDerWaalsContact O-CG 3.23Å; R38-Q42 WeakPolarHBondContact O-CG 3.33Å; R38-Q42 PolarHBondContact O-N 2.84Å
39S96.7Very high97.4Very high49 Ų4993.3 Ų93.334%0.34348%0.481SS..Hα-helixtrans-65.8-40177-170.80000111.8Y35 L36 Q37 Q42 Q43Y35-S39 PolarHBondContact O-N 3.32Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 2.9Å; L36-S39 VanDerWaalsContact O-N 3.13Å; Q37-S39 VanDerWaalsContact C-N 3.27Å; Q37-S39 PolarHBondContact O-N 2.83Å; S39-Q42 PolarHBondContact O-N 3.42Å; S39-Q43 WeakPolarHBondContact O-CB 3.29Å; S39-Q43 PolarHBondContact O-N 2.97Å
40V97.6Very high97.4Very high65 Ų6596.2 Ų96.239%0.39449%0.491SS..Hα-helixtrans-63.9-49.2174.81710000110.2L36 Q37 Q42 Q43 D44L36-V40 WeakPolarHBondContact O-CG2 3.12Å; L36-V40 PolarHBondContact O-N 3.22Å; Q37-V40 PolarHBondContact O-N 3.48Å; V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 3.07Å; V40-Q43 PolarHBondContact O-N 3.35Å; V40-D44 PolarHBondContact O-N 2.96Å
41D96.5Very high97.5Very high87 Ų8796.9 Ų96.947%0.46549%0.49SS..Hα-helixtrans-60.1-37.5178.8-59.1-20.2000111.7Q37 G45Q37-D41 PolarHBondContact NE2-OD1 2.85Å; Q37-D41 PolarHBondContact O-N 3.29Å; D41-G45 PolarHBondContact O-N 3.47Å
42Q97Very high97.5Very high134 Ų13496.4 Ų96.463%0.62649%0.487SS*.Hα-helixtrans-66-43.9174-78.4176.7-5.400112.3R38 S39 V40 G45 L46R38-Q42 WeakPolarHBondContact O-CB 3.45Å; R38-Q42 VanDerWaalsContact O-CG 3.23Å; R38-Q42 WeakPolarHBondContact O-CG 3.33Å; R38-Q42 PolarHBondContact O-N 2.84Å; S39-Q42 PolarHBondContact O-N 3.42Å; V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 3.07Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q42-L46 WeakPolarHBondContact O-CG 3.42Å; Q42-L46 PolarHBondContact O-N 2.86Å
43Q97.7Very high97.5Very high106 Ų10694.7 Ų94.750%0.49548%0.481SS..Hα-helixtrans-62.4-47.3177.5-177.1-179.6-27.500110.8S39 V40 G45 L46 E47S39-Q43 WeakPolarHBondContact O-CB 3.29Å; S39-Q43 PolarHBondContact O-N 2.97Å; V40-Q43 PolarHBondContact O-N 3.35Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 3.49Å; Q43-L46 PolarHBondContact O-N 2.87Å; Q43-L46 VanDerWaalsContact O-N 3.08Å; Q43-E47 HydrophobicContact CG-CG 4.48Å; Q43-E47 PolarHBondContact NE2-OE1 3Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.92Å
44D96.8Very high97.5Very high89 Ų8994.8 Ų94.848%0.47648%0.478SS..Hα-helixtrans-59.2-40.4177.1-72.8-12.8000111.3V40 E47 A48V40-D44 PolarHBondContact O-N 2.96Å; D44-E47 PolarHBondContact O-N 2.79Å; D44-A48 WeakPolarHBondContact O-CB 3.19Å; D44-A48 PolarHBondContact O-N 2.89Å
45G97.5Very high97.5Very high32 Ų3299.4 Ų99.433%0.3349%0.487SS..Hα-helixtrans-61.3-43.1173.700000113.2D41 Q42 Q43 Q49D41-G45 PolarHBondContact O-N 3.47Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 3.49Å; G45-Q49 WeakPolarHBondContact O-CG 3.39Å; G45-Q49 PolarHBondContact O-N 3.37Å
46L98Very high97.5Very high112 Ų11298.5 Ų98.559%0.58648%0.483SS*.Hα-helixtrans-68.4-40.3176.7-72.2172.3000112Q42 Q43 A48 Q49 L50Q42-L46 WeakPolarHBondContact O-CG 3.42Å; Q42-L46 PolarHBondContact O-N 2.86Å; Q43-L46 PolarHBondContact O-N 2.87Å; Q43-L46 VanDerWaalsContact O-N 3.08Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.15Å; L46-Q49 PolarHBondContact O-N 3.34Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.31Å
47E97.9Very high97.5Very high81 Ų81100.1 Ų100.138%0.37949%0.489SS..Hα-helixtrans-62.6-41.6175.6-74.3-173.3-163.900111.5Q43 D44 L50 R51Q43-E47 HydrophobicContact CG-CG 4.48Å; Q43-E47 PolarHBondContact NE2-OE1 3Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.92Å; D44-E47 PolarHBondContact O-N 2.79Å; E47-L50 PolarHBondContact O-N 3.46Å; E47-R51 WeakPolarHBondContact O-CG 3.43Å; E47-R51 PolarHBondContact O-N 3.07Å
48A97.6Very high97.5Very high49 Ų49100.8 Ų100.841%0.40549%0.491SS..Hα-helixtrans-63-42.6174.500000112D44 L46 R51 N52D44-A48 WeakPolarHBondContact O-CB 3.19Å; D44-A48 PolarHBondContact O-N 2.89Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.15Å; A48-R51 PolarHBondContact O-N 3.31Å; A48-N52 PolarHBondContact O-N 3.15Å; A48-N52 PolarHBondContact O-ND2 2.87Å
49Q97.9Very high97.6Very high123 Ų12398.3 Ų98.358%0.57549%0.489SS*.Hα-helixtrans-62.6-44.4174.7-73.317734.300111.8G45 L46 R51 N52 V53G45-Q49 WeakPolarHBondContact O-CG 3.39Å; G45-Q49 PolarHBondContact O-N 3.37Å; L46-Q49 PolarHBondContact O-N 3.34Å; Q49-R51 PolarHBondContact O-N 2.94Å; Q49-N52 PolarHBondContact O-N 2.78Å; Q49-V53 WeakPolarHBondContact O-CG2 3.38Å; Q49-V53 PolarHBondContact O-N 3.32Å
50L98.3Very high97.6Very high119 Ų119100.3 Ų100.362%0.62349%0.493SS*.Hα-helixtrans-61.2-45.7178.7-177.262.6000111.4L46 E47 N52 V53 E54L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.31Å; E47-L50 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.94Å; L50-V53 PolarHBondContact O-N 3.45Å; L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 PolarHBondContact O-N 3Å
51R97.9Very high97.7Very high158 Ų158103.1 Ų103.160%0.59651%0.505SS*.Hα-helixtrans-60.1-37.9175.2-72.4175.2-173.5-97.74112.4E47 A48 Q49 R55E47-R51 WeakPolarHBondContact O-CG 3.43Å; E47-R51 PolarHBondContact O-N 3.07Å; A48-R51 PolarHBondContact O-N 3.31Å; Q49-R51 PolarHBondContact O-N 2.94Å; R51-R55 WeakPolarHBondContact O-CB 3.49Å; R51-R55 PolarHBondContact O-N 3.48Å
52N97.9Very high97.7Very high88 Ų88101.3 Ų101.347%0.47150%0.502SS..Hα-helixtrans-69.7-40.1176.4-74.8-23.8000112.3A48 Q49 L50 R55 R56A48-N52 PolarHBondContact O-N 3.15Å; A48-N52 PolarHBondContact O-ND2 2.87Å; Q49-N52 PolarHBondContact O-N 2.78Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.94Å; N52-R55 PolarHBondContact OD1-NH1 3.43Å; N52-R56 WeakPolarHBondContact O-CB 3.39Å; N52-R56 PolarHBondContact O-N 2.92Å
53V98Very high97.8Very high54 Ų54100.8 Ų100.833%0.32750%0.499SS..Hα-helixtrans-62.1-49.1173.51720000110.4Q49 L50 R55 R56 M57Q49-V53 WeakPolarHBondContact O-CG2 3.38Å; Q49-V53 PolarHBondContact O-N 3.32Å; L50-V53 PolarHBondContact O-N 3.45Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 2.87Å; V53-R56 PolarHBondContact O-N 3.32Å; V53-M57 HydrophobicContact CG1-CG 4.26Å; V53-M57 HydrophobicContact CG1-SD 3.93Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 3Å
54E97.9Very high97.8Very high97 Ų97102 Ų10245%0.45350%0.503SS..Hα-helixtrans-58.3-46.4179.6-170.2-165.9159.500111.7L50 M57 K58L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 PolarHBondContact O-N 3Å; E54-M57 PolarHBondContact O-N 3.3Å; E54-K58 HydrophobicContact CG-CD 4.42Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 2.94Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.66Å; E54-K58 PolarHBondContact OE1-NZ 3.23Å
55R97.9Very high97.8Very high138 Ų138104.3 Ų104.352%0.52151%0.509SS..Hα-helixtrans-59.9-51.4177.4-170-174.3-56.8112.72.9111.4R51 N52 V53 M57 K58 D59R51-R55 WeakPolarHBondContact O-CB 3.49Å; R51-R55 PolarHBondContact O-N 3.48Å; N52-R55 PolarHBondContact OD1-NH1 3.43Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 2.87Å; R55-M57 VanDerWaalsContact C-N 3.35Å; R55-M57 PolarHBondContact O-N 3.47Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.47Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-CG 3.27Å; R55-D59 PolarHBondContact O-N 3.09Å
56R97.6Very high97.9Very high137 Ų137107.5 Ų107.552%0.51752%0.519SS..Hα-helixtrans-59.7-43178.9173176.945.1159.8-2.4112.3N52 V53 K58 D59 E60N52-R56 WeakPolarHBondContact O-CB 3.39Å; N52-R56 PolarHBondContact O-N 2.92Å; V53-R56 PolarHBondContact O-N 3.32Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3.25Å; R56-D59 PolarHBondContact O-N 3.45Å; R56-E60 HydrophobicContact CG-CG 4.32Å; R56-E60 VanDerWaalsContact CG-OE1 3.23Å; R56-E60 WeakPolarHBondContact CG-OE1 3.39Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 3.11Å
57M97.3Very high97.9Very high124 Ų124105.9 Ų105.961%0.61151%0.511SS*.Hα-helixtrans-63.5-39.1177.2-71.8-175.291.100111.8V53 E54 R55 L61V53-M57 HydrophobicContact CG1-CG 4.26Å; V53-M57 HydrophobicContact CG1-SD 3.93Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 3Å; E54-M57 PolarHBondContact O-N 3.3Å; R55-M57 VanDerWaalsContact C-N 3.35Å; R55-M57 PolarHBondContact O-N 3.47Å; M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 PolarHBondContact O-N 3.34Å
58K97.7Very high97.9Very high122 Ų122107 Ų10753%0.5352%0.519SS..Hα-helixtrans-62.5-45.1174.1-77.9173.4170.4170.50111.6E54 R55 R56 L61 A62E54-K58 HydrophobicContact CG-CD 4.42Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 2.94Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.66Å; E54-K58 PolarHBondContact OE1-NZ 3.23Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.47Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3.25Å; K58-L61 PolarHBondContact O-N 3.03Å; K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 3.38Å
59D97.9Very high97.9Very high101 Ų101110.2 Ų110.254%0.5452%0.524SS..Hα-helixtrans-65.9-45.7180-63.7-22.5000111.5R55 R56 L61 A62 Q63R55-D59 VanDerWaalsContact O-CG 3.27Å; R55-D59 PolarHBondContact O-N 3.09Å; R56-D59 PolarHBondContact O-N 3.45Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.13Å; D59-A62 PolarHBondContact O-N 2.95Å; D59-Q63 WeakPolarHBondContact O-CB 3.37Å; D59-Q63 PolarHBondContact O-N 2.89Å
60E97.9Very high97.9Very high91 Ų91109.8 Ų109.843%0.42552%0.522SS..Hα-helixtrans-62.2-39.7176.2-75177.5-160.400112.2R56 K64R56-E60 HydrophobicContact CG-CG 4.32Å; R56-E60 VanDerWaalsContact CG-OE1 3.23Å; R56-E60 WeakPolarHBondContact CG-OE1 3.39Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 3.11Å; E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.3Å
61L97.9Very high97.9Very high123 Ų123111.8 Ų111.864%0.64452%0.521SS*.Hα-helixtrans-68.4-42.5177.3-175.463.9000111.3M57 K58 D59 Q63 K64 F65M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 PolarHBondContact O-N 3.34Å; K58-L61 PolarHBondContact O-N 3.03Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.13Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-K64 PolarHBondContact O-N 3.46Å; L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.96Å
62A97.5Very high97.9Very high50 Ų50108.9 Ų108.941%0.41352%0.516SS..Hα-helixtrans-62.4-42.7176.500000111.4K58 D59 F65 N66K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 3.38Å; D59-A62 PolarHBondContact O-N 2.95Å; A62-F65 PolarHBondContact O-N 3.49Å; A62-N66 VanDerWaalsContact O-CG 3.29Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.38Å
63Q98Very high97.8Very high122 Ų122108.7 Ų108.757%0.5752%0.515SS*.Hα-helixtrans-60.7-51.8175-175.2176.71.800111.4D59 L61 F65 N66 D67D59-Q63 WeakPolarHBondContact O-CB 3.37Å; D59-Q63 PolarHBondContact O-N 2.89Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.12Å; Q63-N66 PolarHBondContact O-N 3.04Å; Q63-N66 VanDerWaalsContact O-N 3.1Å; Q63-D67 PolarHBondContact O-N 2.94Å
64K98Very high97.8Very high132 Ų132110.9 Ų110.957%0.57452%0.522SS*.Hα-helixtrans-58.7-37.7178-76.8177.6178.7175.80112.8E60 L61 L68E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.3Å; L61-K64 PolarHBondContact O-N 3.46Å; K64-L68 WeakPolarHBondContact O-CB 3.47Å; K64-L68 VanDerWaalsContact O-CG 3.32Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.2Å
65F98.2Very high97.8Very high137 Ų137110.3 Ų110.360%0.60153%0.525SS*.Hα-helixtrans-65.8-42.3177-174.3-95.7000111.7L61 A62 Q63 L68 K69L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.96Å; A62-F65 PolarHBondContact O-N 3.49Å; Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.12Å; F65-L68 PolarHBondContact O-N 3.42Å; F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.91Å
66N98.2Very high97.8Very high100 Ų100108.8 Ų108.854%0.53552%0.524SS..Hα-helixtrans-64.4-44.3176-70.1-23.7000111.8A62 Q63 L68 K69 E70A62-N66 VanDerWaalsContact O-CG 3.29Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.38Å; Q63-N66 PolarHBondContact O-N 3.04Å; Q63-N66 VanDerWaalsContact O-N 3.1Å; N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.01Å; N66-K69 WeakPolarHBondContact O-CB 3.37Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-E70 PolarHBondContact O-N 2.9Å
67D98.2Very high97.7Very high77 Ų77105.4 Ų105.441%0.41252%0.521SS..Hα-helixtrans-61.5-41.3177.4-64.6-12.4000111.6Q63 R71Q63-D67 PolarHBondContact O-N 2.94Å; D67-R71 VanDerWaalsContact O-CG 3.31Å; D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 VanDerWaalsContact O-N 3.1Å
68L98.1Very high97.7Very high106 Ų106106 Ų10656%0.55552%0.522SS*.Hα-helixtrans-66.1-39.6176.1-78.5172.2000112.1K64 F65 N66 R71 L72K64-L68 WeakPolarHBondContact O-CB 3.47Å; K64-L68 VanDerWaalsContact O-CG 3.32Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.2Å; F65-L68 PolarHBondContact O-N 3.42Å; N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.01Å; L68-R71 PolarHBondContact O-N 3.42Å; L68-L72 WeakPolarHBondContact O-CB 3.47Å; L68-L72 PolarHBondContact O-N 3.1Å
69K97.9Very high97.7Very high116 Ų116104.8 Ų104.850%0.50452%0.522SS..Hα-helixtrans-63.6-47176.7-176.2-179.7176.2-175.20111.2F65 N66 R71 L72 D73F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.91Å; N66-K69 WeakPolarHBondContact O-CB 3.37Å; N66-K69 PolarHBondContact O-N 3.33Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.32Å; K69-L72 WeakPolarHBondContact O-CB 3.41Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-L72 VanDerWaalsContact O-N 3.12Å; K69-D73 PolarHBondContact O-N 3.37Å
70E97.9Very high97.6Very high114 Ų114103.9 Ų103.953%0.53352%0.52SS..Hα-helixtrans-60.1-42.1177.9-174.5178.8179.900111.8N66 L72 D73 Q74N66-E70 PolarHBondContact O-N 2.9Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.01Å; E70-D73 PolarHBondContact O-N 3Å; E70-Q74 WeakPolarHBondContact O-CG 3.33Å; E70-Q74 PolarHBondContact O-N 3.4Å
71R97.4Very high97.5Very high161 Ų161104.4 Ų104.461%0.60853%0.525SS*.Hα-helixtrans-64.5-37.7174.9-72.817563.8-163-2.1112.8D67 L68 K69 Q74 V75D67-R71 VanDerWaalsContact O-CG 3.31Å; D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 VanDerWaalsContact O-N 3.1Å; L68-R71 PolarHBondContact O-N 3.42Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.32Å; R71-Q74 PolarHBondContact O-N 2.93Å; R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3Å
72L97.7Very high97.5Very high96 Ų96103.9 Ų103.950%0.50352%0.523SS..Hα-helixtrans-63.7-47.8175.9-179.662.5000110.6L68 K69 E70 Q74 V75 E76L68-L72 WeakPolarHBondContact O-CB 3.47Å; L68-L72 PolarHBondContact O-N 3.1Å; K69-L72 WeakPolarHBondContact O-CB 3.41Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-L72 VanDerWaalsContact O-N 3.12Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.01Å; L72-Q74 PolarHBondContact O-N 3.27Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.11Å; L72-E76 HydrophobicContact CD1-CG 4.42Å; L72-E76 WeakPolarHBondContact O-CG 3.31Å; L72-E76 PolarHBondContact O-N 3.46Å
73D97.7Very high97.4Very high84 Ų84105.3 Ų105.345%0.44952%0.523SS..Hα-helixtrans-59-38.1178.3-64.8-18000111.2K69 E70 S77K69-D73 PolarHBondContact O-N 3.37Å; E70-D73 PolarHBondContact O-N 3Å; D73-S77 WeakPolarHBondContact O-CB 3.37Å; D73-S77 PolarHBondContact O-N 3.43Å; D73-S77 VanDerWaalsContact O-N 3.09Å
74Q97.6Very high97.2Very high100 Ų100102.8 Ų102.847%0.46752%0.515SS..Hα-helixtrans-64.2-47.5173.7-72.4171.85.800112.4E70 R71 L72 E76 S77 E78E70-Q74 WeakPolarHBondContact O-CG 3.33Å; E70-Q74 PolarHBondContact O-N 3.4Å; R71-Q74 PolarHBondContact O-N 2.93Å; L72-Q74 PolarHBondContact O-N 3.27Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; Q74-E76 PolarHBondContact O-N 2.96Å; Q74-S77 WeakPolarHBondContact O-CB 3.2Å; Q74-S77 PolarHBondContact O-N 3.41Å; Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 2.91Å
75V97.3Very high97.1Very high85 Ų8599.3 Ų99.352%0.51551%0.511SS..Hα-helixtrans-62.9-40178.1171.30000111.4R71 L72 S77 E78 L79R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.11Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.87Å; V75-E78 PolarHBondContact O-N 2.94Å; V75-L79 VanDerWaalsContact O-CB 3.31Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.28Å
76E97Very high96.8Very high107 Ų10795.2 Ų95.250%0.550%0.503SS..Hα-helixtrans-62.4-40.6176.3-73.4-175167.500112L72 Q74 T80L72-E76 HydrophobicContact CD1-CG 4.42Å; L72-E76 WeakPolarHBondContact O-CG 3.31Å; L72-E76 PolarHBondContact O-N 3.46Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; Q74-E76 PolarHBondContact O-N 2.96Å; E76-T80 WeakPolarHBondContact O-CB 3.42Å; E76-T80 PolarHBondContact O-N 3.02Å; E76-T80 PolarHBondContact O-OG1 3.42Å
77S97Very high96.6Very high66 Ų6696.4 Ų96.446%0.46251%0.505SS..Hα-helixtrans-63.6-47.6173.9-176.50000112.1D73 Q74 V75 L79 T80 N81D73-S77 WeakPolarHBondContact O-CB 3.37Å; D73-S77 PolarHBondContact O-N 3.43Å; D73-S77 VanDerWaalsContact O-N 3.09Å; Q74-S77 WeakPolarHBondContact O-CB 3.2Å; Q74-S77 PolarHBondContact O-N 3.41Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.87Å; S77-L79 PolarHBondContact O-N 2.66Å; S77-T80 PolarHBondContact O-N 3.42Å; S77-N81 PolarHBondContact O-N 2.84Å; S77-N81 PolarHBondContact O-ND2 2.88Å; S77-N81 VanDerWaalsContact O-ND2 3.13Å
78E96.5Very high96.5Very high135 Ų13597.4 Ų97.463%0.63151%0.51SS*.Hα-helixtrans-61.2-43.1177.3-73.6-178.9-179.600112.4Q74 V75 N81 L82Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 2.91Å; V75-E78 PolarHBondContact O-N 2.94Å; E78-N81 PolarHBondContact O-N 3.4Å; E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 2.96Å
79L97.1Very high96.2Very high98 Ų9898.3 Ų98.351%0.51352%0.515SS..Hα-helixtrans-63.3-42.6177.4-178.562.1000111.3V75 S77 N81 L82 I83V75-L79 VanDerWaalsContact O-CB 3.31Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.28Å; S77-L79 PolarHBondContact O-N 2.66Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.05Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-I83 HydrophobicContact CD1-CD1 4.46Å; L79-I83 HydrophobicContact CG-CD1 4.13Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.49Å
80T96.7Very high95.8Very high82 Ų8299.9 Ų99.950%0.50352%0.519SS..Hα-helixtrans-60.2-45.9176.2-59.40000110.9E76 S77 L82 I83 V84E76-T80 WeakPolarHBondContact O-CB 3.42Å; E76-T80 PolarHBondContact O-N 3.02Å; E76-T80 PolarHBondContact O-OG1 3.42Å; S77-T80 PolarHBondContact O-N 3.42Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.49Å; T80-I83 PolarHBondContact O-N 3.2Å; T80-V84 WeakPolarHBondContact O-CG2 3.42Å; T80-V84 PolarHBondContact O-N 3.36Å; T80-V84 VanDerWaalsContact O-N 3.07Å
81N96.4Very high95.5Very high101 Ų10196.7 Ų96.754%0.5451%0.512SS..Hα-helixtrans-62.3-39.1176.6-69.8-35.6000112.2S77 E78 L79 V84 A85S77-N81 PolarHBondContact O-N 2.84Å; S77-N81 PolarHBondContact O-ND2 2.88Å; S77-N81 VanDerWaalsContact O-ND2 3.13Å; E78-N81 PolarHBondContact O-N 3.4Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.05Å; N81-V84 PolarHBondContact O-N 3.35Å; N81-A85 WeakPolarHBondContact O-CB 3.32Å; N81-A85 PolarHBondContact O-N 2.83Å
82L96.1Very high95.2Very high112 Ų11292.1 Ų92.159%0.58650%0.504SS*.Hα-helixtrans-65.5-42177.2-170.3152.4000111.7E78 L79 T80 A85 A86E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 2.96Å; L79-L82 PolarHBondContact O-N 3.3Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 3.06Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.26Å
83I95.6Very high94.6Very high81 Ų8193.5 Ų93.542%0.41550%0.504SS..Hα-helixtrans-59.6-49.7175.6-69.9165.2000110L79 T80 A85 A86 E87L79-I83 HydrophobicContact CD1-CD1 4.46Å; L79-I83 HydrophobicContact CG-CD1 4.13Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.49Å; T80-I83 PolarHBondContact O-N 3.2Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.18Å; I83-A86 PolarHBondContact O-N 2.84Å; I83-A86 VanDerWaalsContact O-N 3.15Å; I83-E87 HydrophobicContact CG2-CG 4.47Å; I83-E87 WeakPolarHBondContact O-CG 3.36Å; I83-E87 PolarHBondContact O-N 3.42Å
84V95.2Very high94Very high69 Ų6993.3 Ų93.342%0.41850%0.502SS..Hα-helixtrans-60.4-41.7178.3172.80000111.4T80 N81 E87 N88T80-V84 WeakPolarHBondContact O-CG2 3.42Å; T80-V84 PolarHBondContact O-N 3.36Å; T80-V84 VanDerWaalsContact O-N 3.07Å; N81-V84 PolarHBondContact O-N 3.35Å; V84-E87 PolarHBondContact O-N 2.84Å; V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.25Å; V84-N88 PolarHBondContact O-N 2.96Å; V84-N88 PolarHBondContact O-ND2 3.33Å; V84-N88 VanDerWaalsContact O-ND2 3.15Å
85A94.5Very high93.5Very high58 Ų5896 Ų9648%0.47951%0.514SS..Hα-helixtrans-63.9-41.2176.300000112.3N81 L82 I83 N88 L89N81-A85 WeakPolarHBondContact O-CB 3.32Å; N81-A85 PolarHBondContact O-N 2.83Å; L82-A85 PolarHBondContact O-N 3.06Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.18Å; A85-N88 PolarHBondContact O-N 3.34Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.49Å
86A93.6Very high93Very high52 Ų5299 Ų9943%0.4352%0.524SS..Hα-helixtrans-66.2-42.2177.300000112.1L82 I83 L89 Y90L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.26Å; I83-A86 PolarHBondContact O-N 2.84Å; I83-A86 VanDerWaalsContact O-N 3.15Å; A86-L89 PolarHBondContact O-N 2.88Å; A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3Å
87E94Very high92.5Very high124 Ų12496 Ų9658%0.57951%0.511SS*.Hα-helixtrans-62-44.4175.2-73.3179166.400111.5I83 V84 Y90 A91I83-E87 HydrophobicContact CG2-CG 4.47Å; I83-E87 WeakPolarHBondContact O-CG 3.36Å; I83-E87 PolarHBondContact O-N 3.42Å; V84-E87 PolarHBondContact O-N 2.84Å; E87-Y90 PolarHBondContact O-N 2.95Å; E87-A91 WeakPolarHBondContact O-CB 3.23Å; E87-A91 PolarHBondContact O-N 3.33Å
88N94.6Very high92Very high98 Ų9894 Ų9452%0.52450%0.5SS..Hα-helixtrans-63.9-41.1176-74.4-30.3000112.4V84 A85 A91 S92V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.25Å; V84-N88 PolarHBondContact O-N 2.96Å; V84-N88 PolarHBondContact O-ND2 3.33Å; V84-N88 VanDerWaalsContact O-ND2 3.15Å; A85-N88 PolarHBondContact O-N 3.34Å; N88-A91 PolarHBondContact O-N 3.05Å; N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.08Å
89L92.8Very high91.6Very high126 Ų12691.7 Ų91.766%0.6650%0.497SS*.Hα-helixtrans-64.1-43.3175.5-177.364.5000111A85 A86 S92 Y93A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.49Å; A86-L89 PolarHBondContact O-N 2.88Å; L89-S92 PolarHBondContact O-N 3.27Å; L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.95Å
90Y89.3Confident91.1Very high149 Ų14990.9 Ų90.958%0.58449%0.49SS*.Hα-helixtrans-63.4-44.4177.2-177.8-98.5000112A86 E87 S92 Y93 M94A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3Å; E87-Y90 PolarHBondContact O-N 2.95Å; Y90-S92 VanDerWaalsContact C-N 3.31Å; Y90-S92 PolarHBondContact O-N 2.89Å; Y90-Y93 WeakPolarHBondContact O-CB 3.34Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y90-M94 HydrophobicContact CD1-CG 4.19Å; Y90-M94 HydrophobicContact CE1-CG 3.73Å; Y90-M94 HydrophobicContact CE2-CG 4.3Å; Y90-M94 WeakPolarHBondContact O-CG 3.32Å; Y90-M94 PolarHBondContact O-N 2.9Å
91A90.9Very high90.6Very high46 Ų4691.2 Ų91.238%0.3849%0.488SS..Hα-helixtrans-59-43.8174.300000111.6E87 N88 M94 Q95E87-A91 WeakPolarHBondContact O-CB 3.23Å; E87-A91 PolarHBondContact O-N 3.33Å; N88-A91 PolarHBondContact O-N 3.05Å; A91-M94 PolarHBondContact O-N 3.35Å; A91-Q95 WeakPolarHBondContact O-CG 3.46Å; A91-Q95 PolarHBondContact O-N 3.13Å
92S90.8Very high90.1Very high65 Ų6588.8 Ų88.846%0.45548%0.482SS..Hα-helixtrans-64.8-42.1177.8-56.30000111.8N88 L89 Y90 Q95 M96N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.08Å; L89-S92 PolarHBondContact O-N 3.27Å; Y90-S92 VanDerWaalsContact C-N 3.31Å; Y90-S92 PolarHBondContact O-N 2.89Å; S92-Q95 PolarHBondContact O-N 2.96Å; S92-M96 PolarHBondContact O-N 3.03Å
93Y85.6Confident89.7Confident125 Ų12589.5 Ų89.549%0.4948%0.481SS..Hα-helixtrans-60-45.5174174.9-96000111.6L89 Y90 Q95 M96 M97L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.95Å; Y90-Y93 WeakPolarHBondContact O-CB 3.34Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y93-Q95 PolarHBondContact O-N 2.97Å; Y93-M96 PolarHBondContact O-N 2.92Å; Y93-M97 HydrophobicContact CD2-CG 3.86Å; Y93-M97 HydrophobicContact CE1-CB 4.3Å; Y93-M97 HydrophobicContact CE1-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CB 4.36Å; Y93-M97 HydrophobicContact CE2-CG 3.46Å; Y93-M97 VanDerWaalsContact CE2-CG 3.46Å; Y93-M97 HydrophobicContact CG-CG 4.42Å; Y93-M97 WeakPolarHBondContact O-CB 3.4Å; Y93-M97 PolarHBondContact O-N 3.19Å
94M84.9Confident89.4Confident81 Ų8191.7 Ų91.740%0.39949%0.487SS..Hα-helixtrans-66.5-34.6178.2-72.4-60.9-69.700112.9Y90 A91 M96 G98Y90-M94 HydrophobicContact CD1-CG 4.19Å; Y90-M94 HydrophobicContact CE1-CG 3.73Å; Y90-M94 HydrophobicContact CE2-CG 4.3Å; Y90-M94 WeakPolarHBondContact O-CG 3.32Å; Y90-M94 PolarHBondContact O-N 2.9Å; A91-M94 PolarHBondContact O-N 3.35Å; M94-M96 VanDerWaalsContact C-N 3.34Å; M94-G98 WeakPolarHBondContact O-CA 3.42Å; M94-G98 PolarHBondContact O-N 3.41Å
95Q88Confident89Confident156 Ų15696.6 Ų96.673%0.72950%0.498SS*.Hα-helixtrans-65.2-38.8172.9-74.6179.32.400112.1A91 S92 Y93 P99A91-Q95 WeakPolarHBondContact O-CG 3.46Å; A91-Q95 PolarHBondContact O-N 3.13Å; S92-Q95 PolarHBondContact O-N 2.96Å; Y93-Q95 PolarHBondContact O-N 2.97Å; Q95-P99 WeakPolarHBondContact O-CD 3.39Å
96M85.7Confident88.8Confident147 Ų14799.8 Ų99.872%0.72450%0.503SS*.Hα-helixtrans-76-48.6-179.5-172.7-175.4-60.300112.5S92 Y93 M94S92-M96 PolarHBondContact O-N 3.03Å; Y93-M96 PolarHBondContact O-N 2.92Å; M94-M96 VanDerWaalsContact C-N 3.34Å
97M88Confident88.5Confident45 Ų45100.6 Ų100.622%0.22250%0.503CS..Hα-helixtrans-91.1-18.3-173.1-63.3-60.9-64.200113.2Y93 E100 I101Y93-M97 HydrophobicContact CD2-CG 3.86Å; Y93-M97 HydrophobicContact CE1-CB 4.3Å; Y93-M97 HydrophobicContact CE1-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CB 4.36Å; Y93-M97 HydrophobicContact CE2-CG 3.46Å; Y93-M97 VanDerWaalsContact CE2-CG 3.46Å; Y93-M97 HydrophobicContact CG-CG 4.42Å; Y93-M97 WeakPolarHBondContact O-CB 3.4Å; Y93-M97 PolarHBondContact O-N 3.19Å; M97-E100 WeakPolarHBondContact CE-OE2 3.46Å; M97-E100 PolarHBondContact O-N 2.94Å; M97-E100 VanDerWaalsContact O-N 3.09Å; M97-I101 HydrophobicContact CB-CD1 4.15Å; M97-I101 VanDerWaalsContact O-CG1 3.29Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 3.15Å
98G85.4Confident88.4Confident23 Ų2397.7 Ų97.724%0.23750%0.496CS..Hα-helixtrans-52.1-48.8179.400000113.3M94 E100 I101 A102M94-G98 WeakPolarHBondContact O-CA 3.42Å; M94-G98 PolarHBondContact O-N 3.41Å; G98-E100 PolarHBondContact O-N 2.86Å; G98-I101 PolarHBondContact O-N 3.44Å; G98-A102 WeakPolarHBondContact O-CB 3.4Å; G98-A102 PolarHBondContact O-N 2.93Å
99P87.6Confident88.3Confident87 Ų8797.5 Ų97.557%0.56549%0.492SS*.Hα-helixtrans-61.4-40.5175.1-2535000113.6Q95 A102 F103Q95-P99 WeakPolarHBondContact O-CD 3.39Å; P99-A102 PolarHBondContact O-N 3.44Å; P99-F103 WeakPolarHBondContact O-CB 3.4Å; P99-F103 PolarHBondContact O-N 3.26Å
100E88.3Confident88.2Confident81 Ų8196.5 Ų96.538%0.37949%0.487SS..Hα-helixtrans-66.2-43.9177.5-171.2-171.5151.300111.4M97 G98 A102 F103 K104M97-E100 WeakPolarHBondContact CE-OE2 3.46Å; M97-E100 PolarHBondContact O-N 2.94Å; M97-E100 VanDerWaalsContact O-N 3.09Å; G98-E100 PolarHBondContact O-N 2.86Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.37Å; E100-F103 PolarHBondContact O-N 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.23Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 2.66Å; E100-K104 PolarHBondContact OE1-NZ 3.31Å
101I86.1Confident88.3Confident90 Ų9097 Ų9746%0.46249%0.488SS..Hα-helixtrans-60.6-44.9175.7-66.9166.2000110M97 G98 R105M97-I101 HydrophobicContact CB-CD1 4.15Å; M97-I101 VanDerWaalsContact O-CG1 3.29Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 3.15Å; G98-I101 PolarHBondContact O-N 3.44Å; I101-R105 PolarHBondContact O-N 3.3Å; I101-R105 VanDerWaalsContact O-N 3.11Å
102A86Confident88.4Confident49 Ų4998.8 Ų98.841%0.40549%0.491SS..Hα-helixtrans-64.3-42.7177.700000112.1G98 P99 E100 R105 Q106G98-A102 WeakPolarHBondContact O-CB 3.4Å; G98-A102 PolarHBondContact O-N 2.93Å; P99-A102 PolarHBondContact O-N 3.44Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.37Å; A102-R105 WeakPolarHBondContact O-CB 3.31Å; A102-R105 PolarHBondContact O-N 3.41Å; A102-Q106 WeakPolarHBondContact O-CG 3.43Å; A102-Q106 PolarHBondContact O-N 2.94Å
103F86.2Confident88.5Confident127 Ų127100.6 Ų100.656%0.55750%0.495SS*.Hα-helixtrans-64.6-46.6177.2177.5-103.3000112.1P99 E100 R105 Q106 V107P99-F103 WeakPolarHBondContact O-CB 3.4Å; P99-F103 PolarHBondContact O-N 3.26Å; E100-F103 PolarHBondContact O-N 3.47Å; F103-R105 PolarHBondContact O-N 2.84Å; F103-Q106 PolarHBondContact O-N 3.26Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; F103-V107 HydrophobicContact CD1-CG2 4.13Å; F103-V107 HydrophobicContact CD2-CG2 4.33Å; F103-V107 HydrophobicContact CE1-CG2 3.63Å; F103-V107 HydrophobicContact CE2-CG2 3.86Å; F103-V107 HydrophobicContact CG-CG2 4.46Å; F103-V107 HydrophobicContact CZ-CG2 3.48Å; F103-V107 VanDerWaalsContact CZ-CG2 3.48Å; F103-V107 WeakPolarHBondContact O-CG2 3.39Å; F103-V107 PolarHBondContact O-N 3.36Å
104K89.2Confident88.8Confident127 Ų12798 Ų9855%0.55249%0.49SS*.Hα-helixtrans-56-39.6175.1-78.1-179.8-176.1167.80111.6E100 V107 S108E100-K104 WeakPolarHBondContact O-CG 3.23Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 2.66Å; E100-K104 PolarHBondContact OE1-NZ 3.31Å; K104-V107 PolarHBondContact O-N 2.91Å; K104-S108 PolarHBondContact O-N 3.4Å
105R87.7Confident89.1Confident173 Ų17395.8 Ų95.865%0.65348%0.481SS*.Hα-helixtrans-63.8-47.1175-173.4178.3177.5153.24.4112.1I101 A102 F103 V107 S108 E109I101-R105 PolarHBondContact O-N 3.3Å; I101-R105 VanDerWaalsContact O-N 3.11Å; A102-R105 WeakPolarHBondContact O-CB 3.31Å; A102-R105 PolarHBondContact O-N 3.41Å; F103-R105 PolarHBondContact O-N 2.84Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.4Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.37Å; R105-E109 WeakPolarHBondContact CG-OE1 3.44Å; R105-E109 IonicContact NE-OE1 3.22Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CG 3.44Å; R105-E109 PolarHBondContact O-N 3.01Å
106Q89.3Confident89.3Confident124 Ų12492.6 Ų92.658%0.57947%0.469SS*.Hα-helixtrans-61.3-40.2176.6-72.7177.6-2.100112.7A102 F103 E109 L110A102-Q106 WeakPolarHBondContact O-CG 3.43Å; A102-Q106 PolarHBondContact O-N 2.94Å; F103-Q106 PolarHBondContact O-N 3.26Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; Q106-E109 PolarHBondContact O-N 2.93Å; Q106-L110 WeakPolarHBondContact O-CB 3.44Å; Q106-L110 PolarHBondContact O-N 2.9Å
107V89.2Confident89.6Confident69 Ų6992.7 Ų92.742%0.41847%0.466SS..Hα-helixtrans-64.9-41176.2172.40000111F103 K104 R105 L110 W111F103-V107 HydrophobicContact CD1-CG2 4.13Å; F103-V107 HydrophobicContact CD2-CG2 4.33Å; F103-V107 HydrophobicContact CE1-CG2 3.63Å; F103-V107 HydrophobicContact CE2-CG2 3.86Å; F103-V107 HydrophobicContact CG-CG2 4.46Å; F103-V107 HydrophobicContact CZ-CG2 3.48Å; F103-V107 VanDerWaalsContact CZ-CG2 3.48Å; F103-V107 WeakPolarHBondContact O-CG2 3.39Å; F103-V107 PolarHBondContact O-N 3.36Å; K104-V107 PolarHBondContact O-N 2.91Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.4Å; V107-L110 PolarHBondContact O-N 3.24Å; V107-W111 WeakPolarHBondContact O-CB 3.49Å; V107-W111 PolarHBondContact O-N 3.33Å
108S91.2Very high89.6Confident64 Ų6495 Ų9545%0.44848%0.477SS..Hα-helixtrans-61.2-47.6174.3-1660000111.6K104 R105 L110 W111 D112K104-S108 PolarHBondContact O-N 3.4Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.37Å; S108-L110 VanDerWaalsContact C-N 3.31Å; S108-L110 PolarHBondContact O-N 3.28Å; S108-W111 WeakPolarHBondContact O-CB 3.36Å; S108-W111 PolarHBondContact O-N 2.96Å; S108-W111 VanDerWaalsContact O-N 3.15Å; S108-D112 PolarHBondContact O-N 3.44Å
109E91.5Very high89.9Confident94 Ų9499.6 Ų99.644%0.43949%0.492SS..Hα-helixtrans-61.5-39.6177.5-71.7170-171.400111.5R105 Q106 N113R105-E109 WeakPolarHBondContact CG-OE1 3.44Å; R105-E109 IonicContact NE-OE1 3.22Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CG 3.44Å; R105-E109 PolarHBondContact O-N 3.01Å; Q106-E109 PolarHBondContact O-N 2.93Å; E109-N113 WeakPolarHBondContact O-CB 3.38Å; E109-N113 PolarHBondContact O-N 3.04Å; E109-N113 PolarHBondContact O-ND2 3.18Å
110L91.4Very high90.1Very high104 Ų10498.5 Ų98.555%0.54549%0.487SS..Hα-helixtrans-64.6-41.8174.3-176.167.5000111.8Q106 V107 S108 N113 I114Q106-L110 WeakPolarHBondContact O-CB 3.44Å; Q106-L110 PolarHBondContact O-N 2.9Å; V107-L110 PolarHBondContact O-N 3.24Å; S108-L110 VanDerWaalsContact C-N 3.31Å; S108-L110 PolarHBondContact O-N 3.28Å; L110-N113 PolarHBondContact O-N 3.47Å; L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 3.33Å
111W91.8Very high90Very high160 Ų16096.5 Ų96.561%0.60649%0.485SS*.Hα-helixtrans-62.6-46.3177.7-179.5-97.5000111.7V107 S108 N113 I114 C115V107-W111 WeakPolarHBondContact O-CB 3.49Å; V107-W111 PolarHBondContact O-N 3.33Å; S108-W111 WeakPolarHBondContact O-CB 3.36Å; S108-W111 PolarHBondContact O-N 2.96Å; S108-W111 VanDerWaalsContact O-N 3.15Å; W111-N113 VanDerWaalsContact C-N 3.32Å; W111-N113 PolarHBondContact O-N 2.88Å; W111-I114 PolarHBondContact O-N 3.32Å; W111-I114 VanDerWaalsContact O-N 3.13Å; W111-C115 PolarHBondContact O-N 3.47Å
112D93.4Very high90Very high84 Ų8497.8 Ų97.845%0.44949%0.492SS..Hα-helixtrans-59.7-44.6176.7-66.8-23.2000110.8S108 I114 C115 D116S108-D112 PolarHBondContact O-N 3.44Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.27Å; D112-C115 WeakPolarHBondContact O-CB 3.45Å; D112-C115 PolarHBondContact O-N 3.07Å; D112-D116 PolarHBondContact O-N 3.15Å
113N92.4Very high90.1Very high102 Ų102100.8 Ų100.855%0.54550%0.5SS..Hα-helixtrans-60.8-39.1174.9-72.2-34000112.9E109 L110 W111 F117E109-N113 WeakPolarHBondContact O-CB 3.38Å; E109-N113 PolarHBondContact O-N 3.04Å; E109-N113 PolarHBondContact O-ND2 3.18Å; L110-N113 PolarHBondContact O-N 3.47Å; W111-N113 VanDerWaalsContact C-N 3.32Å; W111-N113 PolarHBondContact O-N 2.88Å; N113-F117 WeakPolarHBondContact O-CB 3.22Å; N113-F117 PolarHBondContact O-N 2.96Å
114I90.5Very high89.9Confident72 Ų7299.8 Ų99.837%0.36950%0.5SS..Hα-helixtrans-67.1-43.1175.9-71.1165.9000110.3L110 W111 D112 F117 M118L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 3.33Å; W111-I114 PolarHBondContact O-N 3.32Å; W111-I114 VanDerWaalsContact O-N 3.13Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.27Å; I114-F117 PolarHBondContact O-N 2.98Å; I114-M118 HydrophobicContact CG2-CE 4.15Å; I114-M118 HydrophobicContact CG2-CG 4.47Å; I114-M118 HydrophobicContact CG2-SD 4.48Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3.45Å
115C91.3Very high89.6Confident33 Ų3397.8 Ų97.822%0.22350%0.498CS..Hα-helixtrans-59.6-46.2175.1-77.80000111.8W111 D112 F117 M118 Q119W111-C115 PolarHBondContact O-N 3.47Å; D112-C115 WeakPolarHBondContact O-CB 3.45Å; D112-C115 PolarHBondContact O-N 3.07Å; C115-F117 PolarHBondContact O-N 2.91Å; C115-M118 PolarHBondContact O-N 3.45Å; C115-Q119 WeakPolarHBondContact O-CG 3.47Å; C115-Q119 PolarHBondContact O-N 2.86Å
116D92.7Very high89.6Confident89 Ų8993.4 Ų93.448%0.47649%0.49SS..Hα-helixtrans-62.7-41.3177.3-74-10.3000111.9D112 Q119 S120D112-D116 PolarHBondContact O-N 3.15Å; D116-Q119 PolarHBondContact O-N 3.34Å; D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 2.85Å
117F91.5Very high89.3Confident150 Ų15092.2 Ų92.266%0.65849%0.488SS*.Hα-helixtrans-62.5-47.1174.9177.5-99.6000111.7N113 I114 C115 Q119 S120 A121N113-F117 WeakPolarHBondContact O-CB 3.22Å; N113-F117 PolarHBondContact O-N 2.96Å; I114-F117 PolarHBondContact O-N 2.98Å; C115-F117 PolarHBondContact O-N 2.91Å; F117-Q119 PolarHBondContact O-N 3.39Å; F117-S120 PolarHBondContact O-N 3Å; F117-A121 WeakPolarHBondContact O-CB 3.26Å; F117-A121 PolarHBondContact O-N 3.47Å
118M89Confident88.8Confident92 Ų9293.7 Ų93.745%0.45349%0.493SS..Hα-helixtrans-62.7-41.9178-73.3-167.8-58.500112.1I114 C115 S120 A121 L122I114-M118 HydrophobicContact CG2-CE 4.15Å; I114-M118 HydrophobicContact CG2-CG 4.47Å; I114-M118 HydrophobicContact CG2-SD 4.48Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3.45Å; C115-M118 PolarHBondContact O-N 3.45Å; M118-S120 VanDerWaalsContact C-N 3.34Å; M118-S120 PolarHBondContact O-N 3.39Å; M118-A121 PolarHBondContact O-N 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.49Å; M118-L122 WeakPolarHBondContact O-CG 3.3Å; M118-L122 PolarHBondContact O-N 3.15Å
119Q92.4Very high88.3Confident120 Ų12095.5 Ų95.556%0.56150%0.497SS*.Hα-helixtrans-60.6-44.3175.2-75.6-179.7500111.6C115 D116 F117 L122 L123C115-Q119 WeakPolarHBondContact O-CG 3.47Å; C115-Q119 PolarHBondContact O-N 2.86Å; D116-Q119 PolarHBondContact O-N 3.34Å; F117-Q119 PolarHBondContact O-N 3.39Å; Q119-L122 PolarHBondContact O-N 2.95Å; Q119-L123 WeakPolarHBondContact O-CG 3.24Å; Q119-L123 PolarHBondContact O-N 2.93Å
120S91.2Very high87.7Confident65 Ų6595.1 Ų95.146%0.45550%0.504SS..Hα-helixtrans-63.9-42.1177.8-59.90000112.3D116 F117 M118 L123 L124D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 2.85Å; F117-S120 PolarHBondContact O-N 3Å; M118-S120 VanDerWaalsContact C-N 3.34Å; M118-S120 PolarHBondContact O-N 3.39Å; S120-L123 PolarHBondContact O-N 3.45Å; S120-L124 PolarHBondContact O-N 3.41Å; S120-L124 VanDerWaalsContact O-N 3.09Å
121A85.5Confident87Confident39 Ų3996.3 Ų96.332%0.32251%0.509SS..Hα-helixtrans-65.6-42.617700000112.1F117 M118 L124 V125F117-A121 WeakPolarHBondContact O-CB 3.26Å; F117-A121 PolarHBondContact O-N 3.47Å; M118-A121 PolarHBondContact O-N 3.31Å; A121-L124 PolarHBondContact O-N 2.98Å; A121-V125 WeakPolarHBondContact O-CG2 3.47Å; A121-V125 PolarHBondContact O-N 3.08Å; A121-V125 VanDerWaalsContact O-N 3.07Å
122L87.5Confident85.7Confident117 Ų11796.3 Ų96.361%0.61352%0.52SS*.Hα-helixtrans-60.4-44.4174.5-83.7160000111.7M118 Q119 L124 V125 V126M118-L122 WeakPolarHBondContact O-CB 3.49Å; M118-L122 WeakPolarHBondContact O-CG 3.3Å; M118-L122 PolarHBondContact O-N 3.15Å; Q119-L122 PolarHBondContact O-N 2.95Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.32Å; L122-V125 PolarHBondContact O-N 3.02Å; L122-V126 WeakPolarHBondContact O-CG2 3.11Å; L122-V126 PolarHBondContact O-N 3.18Å
123L87.1Confident83.9Confident112 Ų112100.6 Ų100.659%0.58655%0.549SS*.Hα-helixtrans-59.4-42.2176-76.9165.5000112.3Q119 S120 V126 L127Q119-L123 WeakPolarHBondContact O-CG 3.24Å; Q119-L123 PolarHBondContact O-N 2.93Å; S120-L123 PolarHBondContact O-N 3.45Å; L123-V126 PolarHBondContact O-N 3.22Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.44Å
124L82.5Confident83.4Confident106 Ų106100.5 Ų100.556%0.55555%0.549SS*.Hα-helixtrans-63-41.5176.2-78.7165.6000112.6S120 A121 L122 L127 N128S120-L124 PolarHBondContact O-N 3.41Å; S120-L124 VanDerWaalsContact O-N 3.09Å; A121-L124 PolarHBondContact O-N 2.98Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.66Å; L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.01Å; L124-N128 PolarHBondContact O-ND2 3.14Å
125V82.6Confident83.1Confident84 Ų84102 Ų10251%0.50956%0.559SS.*Hα-helixtrans-63.9-45.3176.11730000110.7A121 L122 N128 I129A121-V125 WeakPolarHBondContact O-CG2 3.47Å; A121-V125 PolarHBondContact O-N 3.08Å; A121-V125 VanDerWaalsContact O-N 3.07Å; L122-V125 PolarHBondContact O-N 3.02Å; V125-N128 PolarHBondContact O-N 2.94Å; V125-I129 HydrophobicContact CG1-CD1 3.94Å; V125-I129 WeakPolarHBondContact O-CG1 3.48Å; V125-I129 PolarHBondContact O-N 3.38Å
126V87.3Confident82.6Confident81 Ų81105.8 Ų105.849%0.49158%0.577SS.*Hα-helixtrans-60.8-45.9177172.20000111.1L122 L123 N128 I129 C130L122-V126 WeakPolarHBondContact O-CG2 3.11Å; L122-V126 PolarHBondContact O-N 3.18Å; L123-V126 PolarHBondContact O-N 3.22Å; V126-N128 VanDerWaalsContact C-N 3.35Å; V126-N128 PolarHBondContact O-N 3.43Å; V126-I129 PolarHBondContact O-N 2.9Å; V126-C130 PolarHBondContact O-N 3.41Å; V126-C130 PolarHBondContact O-SG 3.41Å; V126-C130 VanDerWaalsContact O-SG 3.33Å
127L84.3Confident82Confident100 Ų100106.8 Ų106.852%0.52458%0.583SS.*Hα-helixtrans-57.6-45.8175.6-85.5156.6000112L123 L124 I129 C130 I131L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 2.66Å; L127-I129 PolarHBondContact O-N 3.25Å; L127-C130 PolarHBondContact O-N 2.94Å; L127-I131 WeakPolarHBondContact O-CD1 3.42Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.45Å
128N77.4Confident81.4Confident99 Ų99104.1 Ų104.153%0.52958%0.579SS.*Hα-helixtrans-64.1-38.8178.6-77.2-23.4000112.5L124 V125 V126 I131 L132L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.01Å; L124-N128 PolarHBondContact O-ND2 3.14Å; V125-N128 PolarHBondContact O-N 2.94Å; V126-N128 VanDerWaalsContact C-N 3.35Å; V126-N128 PolarHBondContact O-N 3.43Å; N128-I131 PolarHBondContact O-N 3.07Å; N128-L132 PolarHBondContact O-N 3.21Å; N128-L132 VanDerWaalsContact O-N 3.11Å
129I81.2Confident80.9Confident102 Ų102104.9 Ų104.952%0.52359%0.587SS.*Hα-helixtrans-65.6-44.6175.1-66.6167.1000110.5V125 V126 L127 I131 L132 V133V125-I129 HydrophobicContact CG1-CD1 3.94Å; V125-I129 WeakPolarHBondContact O-CG1 3.48Å; V125-I129 PolarHBondContact O-N 3.38Å; V126-I129 PolarHBondContact O-N 2.9Å; L127-I129 PolarHBondContact O-N 3.25Å; I129-I131 PolarHBondContact O-N 2.99Å; I129-L132 PolarHBondContact O-N 3.08Å; I129-L132 VanDerWaalsContact O-N 3.11Å; I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.94Å
130C79.8Confident80.1Confident87 Ų87103.9 Ų103.959%0.58859%0.589SS**Hα-helixtrans-65.1-22.9177.5-690000113.8V126 L127V126-C130 PolarHBondContact O-N 3.41Å; V126-C130 PolarHBondContact O-SG 3.41Å; V126-C130 VanDerWaalsContact O-SG 3.33Å; L127-C130 PolarHBondContact O-N 2.94Å
131I76.7Confident79.3Confident128 Ų128106.8 Ų106.866%0.65660%0.599SS**Hα-helixtrans-84-27174-66.9163.7000111.4L127 N128 I129L127-I131 WeakPolarHBondContact O-CD1 3.42Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.45Å; N128-I131 PolarHBondContact O-N 3.07Å; I129-I131 PolarHBondContact O-N 2.99Å
132L63.2Low78.7Confident161 Ų161112.5 Ų112.584%0.84362%0.622SS**Hα-helixtrans-84.6-18.4-178-126.5100.1000114.2N128 I129N128-L132 PolarHBondContact O-N 3.21Å; N128-L132 VanDerWaalsContact O-N 3.11Å; I129-L132 PolarHBondContact O-N 3.08Å; I129-L132 VanDerWaalsContact O-N 3.11Å
133V55.3Low77.9Confident173 Ų173112.1 Ų112.1100%1.04862%0.623SS**  trans-95.60177.3176.70000110I129I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.94Å

Retrieved 133 of 133 residues in 24.9 ms (Link to these results)